O=C(N/N=C/c1cccc(Br)c1)c1ccc(Cn2cc(Br)cn2)o1 ZINC000001002199 JH Annotated Reactive Cc1c(-c2nnc(SCC(=O)O)n2-c2ccccc2Br)nnn1-c1ccccc1 ZINC000001017938 JH Annotated Anodyne O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CC=CC[C@H]1C(=O)O ZINC000001019562 JH Annotated Anodyne C/C(=N/NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000001021348 JH Annotated Reactive C/C(=N/NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000001021350 JH Annotated Reactive CCS(=O)(=O)c1c(S(=O)(=O)CC)c2ccc(C(C)=O)cn2c1C(=O)c1ccc(C)cc1C ZINC000001030212 JH Annotated Anodyne COc1cc(/C=C2\N=C(c3ccccc3)N(/N=C3\C(=O)Nc4ccccc43)C2=O)cc(OC)c1OC ZINC000001089742 JH Annotated Mild O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000001145860 JH Annotated Anodyne CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000001154962 JH Annotated Anodyne COc1cc(C(=S)N2CCOCC2)cc(Br)c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000001167799 JH Annotated Anodyne CC(=NNC(=N)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1 ZINC000001195792 JH Annotated Anodyne aggregator Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccc(Br)cc3)SC(=O)NC2=O)cc1 ZINC000001484958 JH Annotated Mild COc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)c(OC)c(OC)c4[nH]1)C3=CC2=O ZINC000001487317 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000100049065 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000100049066 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000100049067 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000100049069 JH Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(/C(N)=N/O)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066286 JH Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(/C(N)=N/O)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066287 JH Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](/C(N)=N/O)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066291 JH Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](/C(N)=N/O)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066292 JH Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(c2nnn[nH]2)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066302 JH Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(c2nnn[nH]2)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066303 JH Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](c2nnn[nH]2)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066304 JH Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](c2nnn[nH]2)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000100066305 JH Annotated Anodyne CN(C)c1ccc(C#Cc2cnc(OCCOCCOCCF)c([125I])c2)cc1 ZINC000100070441 JH Annotated Mild O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)N=C[C@@H]2Cl)c1ccc(-n2ccccc2=O)cc1 ZINC000100070616 JH Annotated Reactive O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)N=C[C@H]2Cl)c1ccc(-n2ccccc2=O)cc1 ZINC000100070621 JH Annotated Reactive O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100084980 JH Annotated Anodyne C/C=C1/C=C(\C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)NC(=O)[C@H](C)C1=O ZINC000100088025 JH Annotated Mild in-vitro C/C=C1/C=C(\C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)NC(=O)[C@@H](C)C1=O ZINC000100088029 JH Annotated Mild in-vitro CC1=CCC[C@H]2[C@@H](C)[C@@](C)(CC3=C(O)C(=O)C=C(NCCS(=O)(=O)O)C3=O)CC[C@]12C ZINC000100088734 JH Annotated Mild in-vivo COc1ccc2ncc(F)c(CCN3[C@@H]4CC[C@@H]3CC(NCc3cc5c(cn3)OCS5)C4)c2n1 ZINC000100089030 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3[C@H]4CC[C@H]3CC(NCc3cc5c(cn3)OCS5)C4)c2n1 ZINC000100089033 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)CC5CC5)C[C@@H]34)cc2)c1 ZINC000100089627 JH Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(Cl)c2)n1 ZINC000100098048 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000100098224 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000100101271 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000100101273 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000100102002 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000100102008 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCSCC2)[C@@H]1c1ccccc1 ZINC000100102489 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000100102498 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000100102806 JH Annotated Anodyne O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 ZINC000100106564 JH Annotated Anodyne COCCCNC1=C(C(=O)/C=C\c2ccc(O)c(OC)c2)C(=O)C[C@H](c2ccc(O)c(OC)c2)S1 ZINC000100115949 JH Annotated Mild COCCCNC1=C(C(=O)/C=C\c2ccc(O)c(OC)c2)C(=O)C[C@@H](c2ccc(O)c(OC)c2)S1 ZINC000100115951 JH Annotated Mild COCCCNC1=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)C[C@H](c2ccc(O)c(OC)c2)S1 ZINC000100115955 JH Annotated Mild COCCCNC1=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)C[C@@H](c2ccc(O)c(OC)c2)S1 ZINC000100115958 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)cc1 ZINC000100125740 JH Annotated Anodyne COc1cccc(CN2CCCCN3[C@H](CO)[C@@H](c4ccc(C#Cc5cccnc5)cc4)[C@H]3C2)c1 ZINC000100127204 JH Annotated Mild Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C/N=C(/S)Nc5cccc(Cl)c5)(O4)[C@@H]3C2=O)cc1 ZINC000100251126 JH Annotated Mild Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C/N=C(/S)Nc5cccc(Cl)c5)(O4)[C@@H]3C2=O)cc1 ZINC000100251129 JH Annotated Mild CC(=O)O[C@H]1/C=C\[C@@](C)(O)C[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@]132 ZINC000100257268 JH Annotated Anodyne in-man biogenic CC(=O)O[C@H]1/C=C\[C@@](C)(O)C[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@]132 ZINC000100257275 JH Annotated Anodyne in-man biogenic Cc1c(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000100272814 JH Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000100272815 JH Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000100272817 JH Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000100272819 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)o2)nc1C ZINC000100273415 JH Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000100276112 JH Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000100276116 JH Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000100276120 JH Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000100276124 JH Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000100277204 JH Annotated Anodyne COC(=O)c1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000100277205 JH Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000100277209 JH Annotated Anodyne COC(=O)c1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000100277211 JH Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccco2)cc1 ZINC000100280072 JH Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccco2)cc1 ZINC000100280076 JH Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100281510 JH Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100281515 JH Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100281518 JH Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100281522 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)nc1C ZINC000100281524 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)nc1C ZINC000100281527 JH Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000100284864 JH Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000100284866 JH Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000100284869 JH Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000100284872 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CNC(=S)Nc5ccc(Br)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000100290751 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CNC(=S)Nc5ccc(Br)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000100290754 JH Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000100308835 JH Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000100308839 JH Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000100308844 JH Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000100308847 JH Annotated Anodyne CCN1CCN(c2cc3[nH]c(C(=O)[C@@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 ZINC000100423290 JH Annotated Anodyne O=C(NCc1ccco1)C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000100447781 JH Annotated Anodyne O=C(NCc1ccco1)C1=CNN2C1=N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000100447787 JH Annotated Anodyne O=C(NCc1ccco1)C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000100447789 JH Annotated Anodyne O=C(NCc1ccco1)C1=CNN2C1=N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000100447793 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC(c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)CC1 ZINC000100449376 JH Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@H](c3ccc(Br)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000100454839 JH Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@@H](c3ccc(Br)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000100454843 JH Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@H](c3ccc(Br)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000100454850 JH Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@@H](c3ccc(Br)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000100454855 JH Annotated Anodyne O=C(CSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1)N1CCCc2ccccc21 ZINC000100472041 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)C3=CC4=N[C@H](c5ccco5)C[C@H](C(F)(F)F)N4N3)CC2)c1C ZINC000100489502 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)C3=CC4=N[C@@H](c5ccco5)C[C@H](C(F)(F)F)N4N3)CC2)c1C ZINC000100489508 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)C3=CC4=N[C@H](c5ccco5)C[C@@H](C(F)(F)F)N4N3)CC2)c1C ZINC000100489513 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)C3=CC4=N[C@@H](c5ccco5)C[C@@H](C(F)(F)F)N4N3)CC2)c1C ZINC000100489517 JH Annotated Anodyne O=C(C1CCCCC1)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000100489532 JH Annotated Anodyne COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100490577 JH Annotated Mild COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100490581 JH Annotated Mild COC(=O)c1scc(S(=O)(=O)C(C)C)c1N/N=C(/C#N)C(=O)c1ccc(Cl)cc1 ZINC000100506104 JH Annotated Mild COc1cc2c(cc1OC)C(=O)N(Cc1nnc(-c3ccc(Cl)cc3)o1)/C(=C/N1CCOCC1)N2 ZINC000100534296 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1nnc(-c3ccc(Cl)cc3)o1)/C(=C\N1CCOCC1)N2 ZINC000100534302 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1coc(-c3ccccc3)n1)/C(=C/N1CCOCC1)N2 ZINC000100534309 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1coc(-c3ccccc3)n1)/C(=C\N1CCOCC1)N2 ZINC000100534314 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc(-c3ccccc3OC)no1)/C(=C\N1CCOCC1)N2 ZINC000100534322 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc(-c3ccccc3OC)no1)/C(=C/N1CCOCC1)N2 ZINC000100534326 JH Annotated Anodyne O=C(Nc1cc(Cl)ccc1O)C1=CC2=N[C@H](c3ccc4c(c3)OCO4)C[C@H](C(F)(F)F)N2N1 ZINC000100536783 JH Annotated Anodyne O=C(Nc1cc(Cl)ccc1O)C1=CC2=N[C@@H](c3ccc4c(c3)OCO4)C[C@H](C(F)(F)F)N2N1 ZINC000100536789 JH Annotated Anodyne O=C(Nc1cc(Cl)ccc1O)C1=CC2=N[C@H](c3ccc4c(c3)OCO4)C[C@@H](C(F)(F)F)N2N1 ZINC000100536794 JH Annotated Anodyne O=C(Nc1cc(Cl)ccc1O)C1=CC2=N[C@@H](c3ccc4c(c3)OCO4)C[C@@H](C(F)(F)F)N2N1 ZINC000100536801 JH Annotated Anodyne C/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C\c1ccc(OC(F)F)c(OC)c1 ZINC000100538334 JH Annotated Mild CCN1C(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)=NN/C1=C1/C=CC=CC1=O ZINC000100546289 JH Annotated Mild Cc1ccc(C)c(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c1 ZINC000100548935 JH Annotated Mild Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3/CC(=O)CC(C)(C)C3)cc2)cc1 ZINC000100557548 JH Annotated Reactive Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CC(=O)CC(C)(C)C3)cc2)cc1 ZINC000100557550 JH Annotated Reactive C/C=C/C=C/C(=O)[C@@H]1[C@@H]([C@]2(C)OC(O)=C(C)C2=O)[C@H]2/C(=C(O)/C=C/C=C/C)C(=O)[C@]1(C)C(=O)[C@@]2(C)O ZINC000100571221 JH Annotated Mild C/C=C/C=C/C(=O)[C@@H]1[C@@H]([C@]2(C)OC(O)=C(C)C2=O)[C@H]2/C(=C(O)/C=C/C=C/C)C(=O)[C@]1(C)C(=O)[C@]2(C)O ZINC000100571223 JH Annotated Mild COC(=O)c1ccc(CNC(=O)COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000100591940 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2C[C@@H]3C[C@@H]2CN3)nc1 ZINC000100623572 JH Annotated Anodyne O=S(=O)(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(F)cc1 ZINC000100636814 JH Annotated Anodyne Cc1cc(CC(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1 ZINC000100636913 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@@H](O)C(F)(F)F ZINC000100636922 JH Annotated Anodyne COC(CCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC ZINC000100636997 JH Annotated Anodyne CN1CCN(CC(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CC1 ZINC000100638945 JH Annotated Anodyne Cn1cnc(S(=O)(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)c1 ZINC000100638957 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000100644543 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000100644545 JH Annotated Anodyne COC(=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(O)O3)C(C)=CC[C@@H]2C(C)C ZINC000100658970 JH Annotated Anodyne in-vivo O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000100665014 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000100665016 JH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)N1CCOCC1 ZINC000100705324 JH Annotated Anodyne COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705369 JH Annotated Anodyne COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705371 JH Annotated Anodyne COc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705600 JH Annotated Anodyne COc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705601 JH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000100705621 JH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000100705624 JH Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705822 JH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)N1CCOCC1 ZINC000100705928 JH Annotated Anodyne aggregator O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 ZINC000100705969 JH Annotated Bother O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 ZINC000100705973 JH Annotated Bother CC(=O)/N=C1\C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1 ZINC000100721853 JH Annotated Reactive CC(=O)/N=C1\C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1 ZINC000100721856 JH Annotated Reactive CC(=O)/N=C1\C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1 ZINC000100721858 JH Annotated Reactive CC(=O)/N=C1\C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1 ZINC000100721861 JH Annotated Reactive CC(C)c1cc2c3cccc(C(=O)O)c3nc-2c(O)n1CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000100729504 JH Annotated Anodyne CC(C)c1cc2c3cccc(C(=O)O)c3nc-2c(O)n1CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C ZINC000100729507 JH Annotated Anodyne CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O ZINC000100771382 JH Annotated Mild CC[C@@H](C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100773464 JH Annotated Anodyne in-man endogenous CC[C@H](C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100773466 JH Annotated Anodyne in-man endogenous CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100773467 JH Annotated Anodyne in-man endogenous CC[C@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100773470 JH Annotated Anodyne in-man endogenous Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)NC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl ZINC000100774219 JH Annotated Clean Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)NC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl ZINC000100774224 JH Annotated Clean C/C=C(\C)C(=O)O[C@@H]1[C@]23O[C@@]2(C[C@H]2CC[C@@H](OC(=O)/C=C\SC)[C@@H](C)[C@]12C)OC(=O)[C@@H]3C ZINC000100774366 JH Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@@H](C)[C@]12C)OC(=O)[C@@H]3C ZINC000100774369 JH Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1[C@]23O[C@@]2(C[C@@H]2CC[C@@H](OC(=O)/C=C\SC)[C@@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000100774370 JH Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1[C@]23O[C@@]2(C[C@@H]2CC[C@H](OC(=O)/C=C\SC)[C@@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000100774372 JH Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777277 JH Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777278 JH Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777280 JH Annotated Anodyne in-man endogenous C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777281 JH Annotated Anodyne in-man endogenous O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2Cc2ccccc2)CN1C[C@@H]1CC[C@@H](O)CC1 ZINC000100800017 JH Annotated Anodyne CC/C=C/C/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C/[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000100813744 JH Annotated Mild Cc1c(OCCCN2CCN(Cc3ccccc3Cl)CC2)ccc2c(O)c3nnnc-3oc12 ZINC000100823544 JH Annotated Anodyne CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@@]13OO2 ZINC000100830787 JH Annotated Reactive C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)OC(=O)COc1ccccc1 ZINC000100834013 JH Annotated Reactive C[C@]1(OC(=O)COc2ccccc2)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100834017 JH Annotated Reactive CC1=C(CO[P@](N)(=O)N(CCBr)CCBr)C(=O)c2ccccc2C1=O ZINC000100870346 JH Annotated Reactive CC1=C(NCCCNCCC/N=C2/C(=O)c3ccccc3C(O)=C2C)C(=O)c2ccccc2C1=O ZINC000100872288 JH Annotated Mild CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N[C@@H]4CC[C@@H](O)CC4)nc3c2)n1 ZINC000100927955 JH Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(N4CCN(C)CC4)=CC[C@H]3[C@H](Cc3ccc(N4CCN(C)CC4)cc32)N1CC1CC1 ZINC000100931678 JH Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935055 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N/C(=O)c1cccs1 ZINC000100961426 JH Annotated Bother O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000100972070 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000100994121 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000100994125 JH Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCC1CCCCCC1 ZINC000101003081 JH Annotated Anodyne C[C@H](Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21)c1ccccc1 ZINC000101007563 JH Annotated Anodyne C[C@@H](Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21)c1ccccc1 ZINC000101007565 JH Annotated Anodyne CCC[C@H](Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21)C(C)C ZINC000101007757 JH Annotated Anodyne CCC[C@@H](Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21)C(C)C ZINC000101007759 JH Annotated Anodyne O=C(CN1CCCC1)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101014190 JH Annotated Anodyne O=C(CN1CCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101014199 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(C)oc23)OC1(C)C ZINC000101015792 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(C)oc23)OC1(C)C ZINC000101015797 JH Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(OCCN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000101027712 JH Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(OCCN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000101027716 JH Annotated Anodyne Cc1ccc(C(=O)N2CCCN2C(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101029619 JH Annotated Anodyne Cc1ccc(C(=O)N2CCCN2C(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101029622 JH Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1ccc(Cl)s1 ZINC000101033584 JH Annotated Anodyne CCCC(CCC)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101033590 JH Annotated Anodyne C[C@H](Sn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc21)c1ccccc1 ZINC000101033602 JH Annotated Anodyne C[C@@H](Sn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc21)c1ccccc1 ZINC000101033605 JH Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(C(=O)N4CCCCC4)cc4c5ccccc5nc3-4)nc2C1=O ZINC000101036490 JH Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CCCC(F)(F)F ZINC000101037664 JH Annotated Anodyne C[C@@H](CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21)C(F)(F)F ZINC000101037666 JH Annotated Anodyne C[C@H](CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21)C(F)(F)F ZINC000101037667 JH Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(N2CCCC2)cc1 ZINC000101039459 JH Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(N2CCCC2)cc1 ZINC000101039461 JH Annotated Anodyne CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)c2ccc(/N=C/C(C#N)=C(\O)OCC)cc2)cc1 ZINC000101063175 JH Annotated Reactive COCCOc1cc2ncnc(/N=C3/C=C(O)C(OCC#Cc4ccccc4)=CC3=O)c2cc1OC ZINC000101068351 JH Annotated Mild O=S(=O)(Oc1ccc(O)cc1)[C@@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101077380 JH Annotated Anodyne O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101077387 JH Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(OCCCC#N)ccc21 ZINC000101077702 JH Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000101077875 JH Annotated Clean Cn1c(=O)nc(NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc21 ZINC000101082085 JH Annotated Anodyne Cn1c(=O)nc(NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc21 ZINC000101082089 JH Annotated Anodyne CN1CCN(C(=O)[C@H]2CC[C@@H](N(C(=O)c3cc(Cl)c(N)c(Cl)c3)C3CC3)CC2)CC1 ZINC000101099826 JH Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(=O)c1ccccc1 ZINC000101130558 JH Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(=O)c2ccccc2)[C@@H]1O ZINC000101130561 JH Annotated Mild C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(=O)c1ccc(OC)cc1 ZINC000101130565 JH Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(=O)c2ccc(OC)cc2)[C@@H]1O ZINC000101130569 JH Annotated Mild O=C(O)c1c(=O)c2cc(F)c(N3CCC4(CC3)OCCO4)cc2n2c1sc1ccccc12 ZINC000101142154 JH Annotated Bother C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H](C)O1 ZINC000101144935 JH Annotated Bother C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@H](C)O1 ZINC000101144936 JH Annotated Bother C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H](C)O1 ZINC000101144938 JH Annotated Bother O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)cc2n2c1sc1ccccc12 ZINC000101146321 JH Annotated Bother C=CCN1C(=O)[C@H]([C@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 ZINC000101153196 JH Annotated Mild C=CCN1C(=O)[C@@H]([C@@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 ZINC000101153201 JH Annotated Mild CCOc1cc(CN[C@@H]2C(C)=NN=C2S)cc(Br)c1OCC(=O)NC1CCCCC1 ZINC000101168990 JH Annotated Anodyne CCOc1cc(CN[C@H]2C(C)=NN=C2S)cc(Br)c1OCC(=O)NC1CCCCC1 ZINC000101168993 JH 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(=O)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101175422 JH 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(=O)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101175424 JH 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(=O)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101175430 JH Annotated Mild C=CC(=O)N1C[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 ZINC000101189552 JH Annotated Mild C=CC(=O)N1C[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 ZINC000101189554 JH Annotated Mild C=CC(=O)N1C[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 ZINC000101189557 JH Annotated Mild C=CC(=O)N1C[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 ZINC000101189561 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000101194835 JH Annotated Mild CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101203884 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101203885 JH Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101206217 JH Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101206220 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101207010 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101207015 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101207895 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101207903 JH Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000101219308 JH Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000101219317 JH Annotated Mild O=C(NCCCC[C@@H]1C(=O)/C(=C(\O)C2CC2)C(=O)N1Cc1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000101235303 JH Annotated Mild O=C(NCCCC[C@H]1C(=O)/C(=C(\O)C2CC2)C(=O)N1Cc1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000101235308 JH Annotated Mild Cc1c(OCCCN2CCN(Cc3ccc(Cl)cc3)CC2)ccc2c(O)c3nnnc-3oc12 ZINC000101249641 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N(C(=O)c2ccc(C)cc2)N[C@H]3c2ccccc2F)cc1 ZINC000101263285 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)NN(C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101263288 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(C)cc(=O)oc23)OC1(C)C ZINC000101265877 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(C)cc(=O)oc23)OC1(C)C ZINC000101265879 JH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101282709 JH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101282716 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000101314557 JH Annotated Anodyne Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000101330415 JH Annotated Anodyne Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1 ZINC000101330431 JH Annotated Anodyne Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000101330449 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000101331086 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000101331088 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000101331089 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000101331090 JH Annotated Mild CS(=O)(=O)Nc1cccc(OCCN2C[C@@H]3CC[C@@H](C2)C3Cc2ccc3c(c2)NC(=O)CC3)c1 ZINC000101341644 JH Annotated Anodyne CS(=O)(=O)Nc1cccc(OCCN2C[C@H]3CC[C@H](C2)C3Cc2ccc3c(c2)NC(=O)CC3)c1 ZINC000101341655 JH Annotated Anodyne O=C1CCc2ccc(CC3C[C@@H]4CC[C@@H](C3)N4C[C@@H]3COc4c(ccc5c4CC(=O)N5)O3)cc2N1 ZINC000101341674 JH Annotated Anodyne O=C1CCc2ccc(CC3C[C@H]4CC[C@H](C3)N4C[C@@H]3COc4c(ccc5c4CC(=O)N5)O3)cc2N1 ZINC000101341683 JH Annotated Anodyne CCCCCCc1nc2ccccc2c(=O)n1N[C@H](O)c1c(O)c2cccc3c2n(c1=O)CCC3 ZINC000101350498 JH Annotated Anodyne CCCCCCc1nc2ccccc2c(=O)n1N[C@@H](O)c1c(O)c2cccc3c2n(c1=O)CCC3 ZINC000101350502 JH Annotated Anodyne CC1=NN(c2ccc3c(c2)CCC3)C(=O)/C1=C(/C)NNC(=S)N1CCCc2cc(C(=O)O)ccc21 ZINC000101366824 JH Annotated Clean CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000101371944 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000101371946 JH Annotated Anodyne CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000101383389 JH Annotated Clean CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1cccc(F)c1 ZINC000101391216 JH Annotated Anodyne COC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(C)=O)c2cccc(F)c2)C1 ZINC000101391219 JH Annotated Anodyne COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1cccc(F)c1 ZINC000101391242 JH Annotated Anodyne COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1 ZINC000101391250 JH Annotated Anodyne CCC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 ZINC000101391261 JH Annotated Anodyne CN(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2 ZINC000101394331 JH Annotated Anodyne CN(CCCC/N=c1\c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2 ZINC000101394336 JH Annotated Anodyne CN(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1\c2ccccc2nc2n1CCC2 ZINC000101394340 JH Annotated Anodyne CN(CCCC/N=c1\c2ccccc2nc2n1CCC2)CCC/N=c1\c2ccccc2nc2n1CCC2 ZINC000101394345 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)C)C(=O)[C@H]24)cc1Cl ZINC000101394666 JH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)C)C(=O)[C@H]24)cc1Cl ZINC000101394667 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000101395139 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000101395141 JH Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000101395182 JH Annotated Anodyne Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000101395185 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@H]24)cc1C ZINC000101396216 JH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@H]24)cc1C ZINC000101396220 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000101401645 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000101401649 JH Annotated Anodyne Cc1c(Nc2ccc(C#N)cc2Cl)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 ZINC000101417647 JH Annotated Mild CCCCN(C)CCCCNC(=O)c1cc([123I])c(NC(C)=O)cc1OC ZINC000101422793 JH Annotated Anodyne CCCN(CCC)CCCCNC(=O)c1cc([123I])c(NC(C)=O)cc1OC ZINC000101438362 JH Annotated Anodyne O=c1c(NC/C=C\COc2csc(CN3CCCCC3)c2)c(NCC(F)(F)C(F)(F)F)c1=O ZINC000101470910 JH Annotated Anodyne Cc1c(OCCCN2CCN(Cc3cccc(Cl)c3)CC2)ccc2c(O)c3nnnc-3oc12 ZINC000101472790 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[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 ZINC000101479424 JH Annotated Anodyne Cc1cccc2nc(CSc3nc4nncc-4c(O)n3-c3cccc(Cl)c3)cc(=O)n12 ZINC000101496492 JH Annotated Anodyne COc1cccc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3nnc(C)c-3c2N)c1 ZINC000101507797 JH Annotated Anodyne CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@@H]3CC[C@@H](N)CC3)c2n1 ZINC000101508976 JH Annotated Anodyne COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc(=O)c(Cc2ccccc2)c1O ZINC000101509837 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101512892 JH Annotated Anodyne COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccc(C)cc2)cc1 ZINC000101520837 JH Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000101520854 JH Annotated Bother COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccc(C)cc2)c1 ZINC000101520868 JH Annotated Anodyne Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101521041 JH Annotated Bother COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccc(C)cc1 ZINC000101521062 JH Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(N/N=C(\C(C)=O)C(=O)Nc2ccccc2)c1 ZINC000101528617 JH Annotated Mild CC/C=C\C/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C/[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000101540265 JH Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)cc1 ZINC000101543701 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)cc1 ZINC000101543708 JH Annotated Anodyne NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562834 JH Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](CCO)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000101564100 JH Annotated Anodyne COC(=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(O)O3)C(C)=CC[C@@H]2C(C)C ZINC000101582638 JH Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@]1(C)c1nc3ccccc3c(=O)n12 ZINC000101584834 JH Annotated Anodyne CN1C(=O)[C@@H]2C[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@]1(C)c1nc3ccccc3c(=O)n12 ZINC000101584907 JH Annotated Anodyne CCN(CC)c1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)c(C)c1 ZINC000101589381 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C[C@@H](O)CC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101591792 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C[C@H](O)CC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101591797 JH Annotated Anodyne CC(C)(C)[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632073 JH Annotated Mild CC(C)(C)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632077 JH Annotated Mild O=C(O)C/N=C1\C[C@H](c2ccccc2)CC(O)=C1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000101653513 JH Annotated Mild O=C(O)C/N=C1\C[C@@H](c2ccccc2)CC(O)=C1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000101653516 JH Annotated Mild C/C1=C/[C@@H](C)CC/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000101654012 JH Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@H](c3cccnc3)CC2)C1 ZINC000101657524 JH Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccc(OC)cc3)CC2=O)CC1 ZINC000101669848 JH Annotated Mild CC1=C[C@H]2[C@@H]3[C@@H]4C(=C(C)[C@@H]3[C@]13[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@](C)(O)[C@H]23)[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]4(C)O ZINC000101672486 JH Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCCCNC(=N)N)C1=O ZINC000101673442 JH Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000101680027 JH Annotated Anodyne CCOc1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)cc1 ZINC000101684871 JH Annotated Anodyne Cc1cccc(NC(=S)/N=N/c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000101693031 JH Annotated Clean CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000101694698 JH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000101695161 JH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3OC(C)(C)O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101700922 JH Annotated Anodyne Cc1ccc(NC(=S)/N=N/c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1 ZINC000101707024 JH Annotated Clean C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](CO)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000101711942 JH Annotated Mild COc1ccc2ncc(F)c(CCN3[C@@H]4CC[C@@H]3CC(NCc3ccc5c(c3)OCCO5)C4)c2n1 ZINC000101728256 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3[C@H]4CC[C@H]3CC(NCc3ccc5c(c3)OCCO5)C4)c2n1 ZINC000101728262 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=N/c1sc(N)nc1-c1ccccc1 ZINC000101750190 JH Annotated Clean C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000101750689 JH Annotated Mild N#C/C(=C(/O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 ZINC000101760826 JH Annotated Reactive COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(n3c(O)nc4ccccc43)CC1)=N2 ZINC000101761275 JH Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(n3c(O)nc4ccccc43)CC1)=N2 ZINC000101761279 JH Annotated Anodyne Cc1nnc2nc(SCC(=O)NC3CCCCC3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000101789563 JH Annotated Anodyne C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c3ccccc3nc-2c1O ZINC000101802715 JH Annotated Mild Cn1c(O)c(/N=N/C(S)=N/c2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101823749 JH Annotated Mild N#C/C(=C(\O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 ZINC000101833988 JH Annotated Reactive CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)CO1 ZINC000101840394 JH Annotated Anodyne C[C@@H]1[C@@H](OC(=O)N[C@@H]2C[C@@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101851192 JH Annotated Reactive C[C@@H]1[C@@H](OC(=O)N[C@H]2C[C@@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101851197 JH Annotated Reactive C[C@@H]1[C@@H](OC(=O)N[C@@H]2C[C@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101851203 JH Annotated Reactive C[C@@H]1[C@@H](OC(=O)N[C@H]2C[C@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101851210 JH Annotated Reactive O=C(NS(=O)(=O)Cc1ccccc1)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1 ZINC000101861583 JH Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101871365 JH Annotated Reactive Cc1cccc2nc(CSc3nc4nncc-4c(O)n3-c3ccccc3Cl)cc(=O)n12 ZINC000101885020 JH Annotated Anodyne O=C(N[C@H](C(=O)O)c1ccc(O)cc1)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1 ZINC000101915601 JH Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(N4CCN(C)CC4)=CC[C@@H]3[C@H](Cc3ccc(N4CCN(C)CC4)cc32)N1CC1CC1 ZINC000101966673 JH Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc3c(s2)[C@H](c2ccc(Cl)cc2)c2c(nc[nH]c2=O)O3)cc1 ZINC000101992446 JH Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc3c(s2)[C@@H](c2ccc(Cl)cc2)c2c(nc[nH]c2=O)O3)cc1 ZINC000101992449 JH Annotated Anodyne Nc1ncnc2c1[C@@H](c1ccc(Cl)cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000102000399 JH Annotated Anodyne Nc1ncnc2c1[C@H](c1ccc(Cl)cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000102000403 JH Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCS(=O)(=O)O)C1=O ZINC000102006448 JH Annotated Mild CCc1c(Cc2ccccc2)nc(SCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)[nH]c1=O ZINC000102057533 JH Annotated Mild CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1=O ZINC000102061764 JH Annotated Mild O=C(O)[C@@H]1CC[C@H](Nc2ccc3c(=O)n(-c4cccc(Cl)c4)c(=O)n4c3c2CCC4)CC1 ZINC000102063581 JH Annotated Anodyne Cc1cnc([C@@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000102072450 JH Annotated Anodyne Cc1cnc([C@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000102072454 JH Annotated Anodyne N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000102075885 JH Annotated Reactive N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000102075889 JH Annotated Reactive N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000102075891 JH Annotated Reactive N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000102075896 JH Annotated Reactive Cc1c(C(=O)Nc2ccccc2)[n+]([O-])c2cc(CN(C)C/C=C/c3ccccc3)ccc2[n+]1[O-] ZINC000102078919 JH Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)c3ccccc3C4=O)cc2c1 ZINC000102082623 JH Annotated Reactive CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102149704 JH Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102149708 JH 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]4OCO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000102169426 JH 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]4OCO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000102169430 JH 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]4OCO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000102169435 JH Annotated Mild CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@]13OO2 ZINC000102198245 JH Annotated Reactive C/C=C(/C)C(=O)[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)C[C@@H](C)[C@H]1O ZINC000102231711 JH Annotated Mild Cc1cc(S(=O)(=O)Nc2nc3cc(C(C)(C)C)sc3c(=O)n2N)c(S)cc1Cl ZINC000102236838 JH Annotated Anodyne Cc1c(N2C(=O)C(Cl)=C(Nc3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000102250276 JH Annotated Anodyne CC(=O)/C=C(O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000102282420 JH Annotated Mild COc1ccc(C)cc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102297065 JH Annotated Anodyne COc1ccc(C)cc1-n1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102297069 JH Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ccccc2N=C1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl ZINC000102315209 JH Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000102321435 JH Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](OC(C)=O)[C@@]5([C@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(C)=O)[C@@H]1OC(C)=O ZINC000102321438 JH Annotated Mild COc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102368593 JH Annotated Anodyne COc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102368596 JH Annotated Anodyne O=C(CNC(=O)c1cccnc1)/N=N\c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000102379269 JH Annotated Clean O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1F)NC[C@@H]1CCCO1 ZINC000102380315 JH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1F)NC[C@H]1CCCO1 ZINC000102380318 JH Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1cc(OC)ccc1OC)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000102380349 JH Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000102380351 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000102384616 JH Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000102431271 JH Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000102431275 JH Annotated Anodyne COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1OC ZINC000102485914 JH Annotated Anodyne COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1OC ZINC000102485920 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(SC3CCCCC3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000102500587 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000102506456 JH Annotated Anodyne COc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102507104 JH Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102507112 JH Annotated Mild C=CCOc1cccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102512338 JH Annotated Mild C=CCOc1cccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102512345 JH Annotated Mild CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1c(Br)cc(Br)cc1Br ZINC000102513412 JH Annotated Clean Cc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102528681 JH Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102528685 JH Annotated Mild CC(C)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102533474 JH Annotated Mild CC(C)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102533485 JH Annotated Mild CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102539947 JH Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)/C1=C(/O)c1ccc(Br)cc1 ZINC000102559265 JH Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)/C1=C(/O)c1ccc(Br)cc1 ZINC000102559268 JH Annotated Mild CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000102629951 JH Annotated Anodyne Cc1ccccc1/N=C(S)\N=N/c1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000102637846 JH Annotated Mild CCOC(=O)C1=CC[C@H]2c3c(c4ccc(OC)cc4n3C)C(=O)[C@H]1N2S(=O)(=O)c1ccc(C)cc1 ZINC000102673357 JH Annotated Anodyne COc1ccc(NC(=O)c2ccc(C/N=c3/c(O)c(O)/c3=N\C3CCCCC3)cc2)c(OC)c1 ZINC000102705100 JH Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102717311 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102717315 JH Annotated Mild O=C(c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000102730948 JH Annotated Bother O=C(c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000102730952 JH Annotated Bother CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102735205 JH Annotated Mild CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102735209 JH Annotated Mild CCCCN1C(=O)CN/C1=N\c1ccc2cc3ccc(/N=C4\NCC(=O)N4CCCC)cc3nc2c1 ZINC000102820658 JH Annotated Mild CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@H]1N2S(=O)(=O)c1ccc(C)cc1 ZINC000102850928 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)N1CCCC[C@@]21C(=O)OC ZINC000102875599 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cccc(Cl)c3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000102885200 JH Annotated Anodyne CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1=O ZINC000102905749 JH Annotated Mild CC(=O)C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3ccccc3N12 ZINC000102916051 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(Cl)cc1 ZINC000102921074 JH Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccc(C)cc1 ZINC000102921471 JH Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1cc(C)cc(C)c1 ZINC000102921516 JH Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccc(C)c(C)c1 ZINC000102921526 JH Annotated Bother C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)CCC(=O)C/C=C\C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000102941525 JH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1N[C@@]2(c3ccccc3Nc3ccc(C)cc32)[C@H](C(=O)OC)S1 ZINC000102945154 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)=C1N[C@]2(c3ccccc3Nc3ccc(C)cc32)[C@H](C(=O)OC)S1 ZINC000102945159 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)=C1N[C@@]2(c3ccccc3Nc3ccc(C)cc32)[C@@H](C(=O)OC)S1 ZINC000102945161 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)=C1N[C@]2(c3ccccc3Nc3ccc(C)cc32)[C@@H](C(=O)OC)S1 ZINC000102945165 JH Annotated Anodyne CC1=C(C)[C@@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]2(C#N)[C@@H](c2ccco2)N1 ZINC000102947714 JH Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NC1CCCCCC1 ZINC000102954681 JH Annotated Anodyne C1=N\CCN2CCN(CC/N=C\c3ccccc3OCc3cccc(n3)COc3ccccc3/1)CC2 ZINC000102957304 JH Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000102958801 JH Annotated Mild O=C(O)CO[C@@]12C#C/C=C\C#C[C@@H]3N(C(=O)Oc4ccccc4)c4ccccc4[C@]14O[C@@]34CCC2 ZINC000102961304 JH Annotated Mild CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)c(C#N)c2nc3ccccc3n2c1O ZINC000102967481 JH Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncc(Br)cn34)C2(C)C)ccc1C#N ZINC000102970284 JH Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000102985527 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)C[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000102985530 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000102985534 JH Annotated Mild N#C[C@H]1CC[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000102999838 JH Annotated Mild O=C1/C(=C/c2ccc(-c3cccc(I)c3)o2)NC(=S)N1CCc1c[nH]cn1 ZINC000103007845 JH Annotated Anodyne O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000103009276 JH Annotated Anodyne CCCNc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O ZINC000103024344 JH Annotated Anodyne CCCNc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O ZINC000103024348 JH Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(C)=O)cn2)ccc1C(N)=O ZINC000103024454 JH Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(C)=O)cn2)ccc1C(N)=O ZINC000103024459 JH Annotated Anodyne Cc1cc(C(N)=O)c(NC(C)C)cc1C(=O)NC1C[C@@H]2CC[C@@H](C1)N2c1ccc(C(=O)C2CC2)cn1 ZINC000103024473 JH Annotated Anodyne Cc1cc(C(N)=O)c(NC(C)C)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2c1ccc(C(=O)C2CC2)cn1 ZINC000103024476 JH Annotated Anodyne NC(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(=O)C3CC3)cn2)cc1NCC1CC1 ZINC000103025614 JH Annotated Anodyne NC(=O)c1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)cc1NCC1CC1 ZINC000103025617 JH Annotated Anodyne CC(C)C(=O)c1ccc(N2[C@@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000103030009 JH Annotated Anodyne CC(C)C(=O)c1ccc(N2[C@H]3CC[C@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000103030015 JH Annotated Anodyne Cc1cnc(C(=O)N(CCCn2ccnc2)[C@H]2C(=O)Nc3ccccc3N=C2c2ccccc2)cn1 ZINC000103062877 JH Annotated Anodyne Cc1cnc(C(=O)N(CCCn2ccnc2)[C@@H]2C(=O)Nc3ccccc3N=C2c2ccccc2)cn1 ZINC000103062879 JH Annotated Anodyne Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(N[C@@H]4CC[C@@](C)(O)CC4)n3n1)CCCO2 ZINC000103064508 JH Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4ccc[n+]([O-])c4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103084810 JH Annotated Anodyne 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]4CN(C)C)C2=O ZINC000103090108 JH 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]3CN(C)C)[C@]14O2 ZINC000103094085 JH Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC(=O)[C@@H]3[C@H]4C)C2=O ZINC000103094885 JH Annotated Mild CC(C)(C)c1ccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)cc1 ZINC000103108782 JH Annotated Anodyne COC(=O)c1c(C)nc(C)c2c1C(=O)C(Br)=C(Nc1ccc(F)c(F)c1)C2=O ZINC000103121805 JH Annotated Mild CNc1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103129534 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103129535 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)c(C)n1 ZINC000103131403 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)c(C)n1 ZINC000103131405 JH Annotated Anodyne CNc1cc(C)c(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131411 JH Annotated Anodyne CNc1cc(C)c(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131414 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CCC3CCOCC3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131429 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CC[C@@H](C)O3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131442 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@H]3CC[C@H](C)O3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131447 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@H]3CC[C@@H](C)O3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131451 JH Annotated Anodyne CNc1ccc(-c2nc(=O)n(CC[C@@H]3CC[C@H](C)O3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131456 JH Annotated Anodyne Nc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12 ZINC000103145864 JH Annotated Anodyne C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 ZINC000103158244 JH Annotated Reactive C=CCn1c(=O)c([C@@H]2C(C(=O)OC(C)C)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000103158253 JH Annotated Mild O=C1CCC(c2ccccc2)=NN1c1ccc(S(=O)(=O)NC(=S)NCc2ccccc2)cc1 ZINC000103168332 JH Annotated Anodyne C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](OC(=O)CC(=O)O)C/C=C/C=C\C(=O)O1 ZINC000103174401 JH Annotated Anodyne COC(=O)[C@@H]1O[C@]23O[C@H]4CC[C@]5(C)C(=CC(=O)O[C@H]5c5ccoc5)[C@H]4C[C@]2(O)CC(C)(C)[C@H]1[C@@H]3C ZINC000103175174 JH Annotated Anodyne S=C(N/N=C/c1ccccc1Cl)N1CCN(C(=S)N/N=C/c2ccccc2Cl)CC1 ZINC000103175666 JH Annotated Mild O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCN(c4ncccn4)CC3)n2)c2ccccc2o1 ZINC000103175920 JH Annotated Anodyne Cc1ccc(C2=NN(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)C(=O)CC2)cc1 ZINC000103176181 JH Annotated Anodyne CCCCOc1ccc(OC)c([C@H]2OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]23)c1 ZINC000103177470 JH Annotated Anodyne O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3cc4ccccc4cc3oc2=O)C(=O)N1 ZINC000103177841 JH Annotated Clean Cc1ccccc1OCc1nnc(S)n1N1C(=O)CS[C@H]1c1c[nH]nc1-c1ccc(F)cc1 ZINC000103183250 JH Annotated Anodyne Cc1ccccc1OCc1nnc(S)n1N1C(=O)CS[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 ZINC000103183252 JH Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2SCC(=O)N2n2c(S)nnc2COc2ccccc2C)cc1 ZINC000103183256 JH Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2SCC(=O)N2n2c(S)nnc2COc2ccccc2C)cc1 ZINC000103183259 JH Annotated Anodyne Cc1ccc(OCc2nnc(S)n2N2C(=O)CS[C@H]2c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000103183264 JH Annotated Anodyne Cc1ccc(OCc2nnc(S)n2N2C(=O)CS[C@@H]2c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000103183268 JH Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2SCC(=O)N2n2c(S)nnc2COc2ccc(C)cc2)cc1 ZINC000103183274 JH Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2SCC(=O)N2n2c(S)nnc2COc2ccc(C)cc2)cc1 ZINC000103183278 JH Annotated Anodyne COc1cc(OC)nc(NC(=S)NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)n1 ZINC000103184259 JH Annotated Anodyne COc1cc(OC)n2s/c(=N\C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)nc2n1 ZINC000103184322 JH Annotated Anodyne COc1ccc(OC)c(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(C)cc2)c1 ZINC000103185780 JH Annotated Mild COc1cc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(Cl)cc2)ccc1O ZINC000103187142 JH Annotated Mild COc1ccc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(Cl)cc2)cc1O ZINC000103187144 JH Annotated Mild O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2cc3ccccc3cc2oc1=O ZINC000103187295 JH Annotated Clean O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)c1ccccc1C(F)(F)F ZINC000103187732 JH Annotated Anodyne O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)c1ccccc1Cl ZINC000103187780 JH Annotated Anodyne C#CCN1C(=O)/C(=N/NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 ZINC000103189567 JH Annotated Reactive C#CCN1C(=O)/C(=N/NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 ZINC000103189571 JH Annotated Reactive C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@]12C(=O)Nc1ccccc12 ZINC000103189694 JH Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@]12C(=O)Nc1ccccc12 ZINC000103189697 JH Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 ZINC000103189701 JH Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 ZINC000103189703 JH Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N1CCOCC1 ZINC000103190283 JH Annotated Anodyne Nc1nc(C(Cl)(Cl)Cl)nc(C(Br)(Br)Br)n1 ZINC000103196062 JH Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2C(=O)[C@H]2[C@](C)(C(=O)OC)C=CC(=O)[C@]12C ZINC000103197663 JH Annotated Mild O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1 ZINC000103198193 JH Annotated Anodyne O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1 ZINC000103198195 JH Annotated Anodyne O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(O)cc1 ZINC000103199319 JH Annotated Reactive O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(O)cc1 ZINC000103199322 JH Annotated Reactive O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@H]1c1ccc(O)cc1 ZINC000103199323 JH Annotated Reactive O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(O)cc1 ZINC000103199325 JH Annotated Reactive O=C1CS[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1n1c(S)nnc1COc1ccccc1 ZINC000103199800 JH Annotated Anodyne O=C1CS[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1n1c(S)nnc1COc1ccccc1 ZINC000103199802 JH Annotated Anodyne O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3cc(Cl)c(Cl)cc3oc2=O)C(=O)N1 ZINC000103200365 JH Annotated Clean CCOCCOC(=O)/C(C#N)=C(\NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)SC ZINC000103200527 JH Annotated Reactive O=C1N(c2ccccc2)c2ncn(CN3CCCCC3)c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201355 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCCC3)c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201358 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCCC3)c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201363 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCCC3)c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201365 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCC3)c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201367 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCC3)c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201369 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCC3)c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201371 JH Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCCC3)c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201372 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCC3)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201463 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCC3)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201465 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCC3)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201468 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCCC3)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201471 JH Annotated Anodyne COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2S(=O)(=O)c2ccccc2)cc1OC ZINC000103201821 JH Annotated Mild O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1I ZINC000103203156 JH Annotated Anodyne CCOC(=O)[C@H]1N[C@@H](c2ccc(OC)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc2c(c1)CCC(C)(C)O2 ZINC000103203205 JH Annotated Bother O=C(CNN1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1)c1ccc(O)cc1 ZINC000103205896 JH Annotated Anodyne COc1ccc(C2=NN(c3ccc(S(=O)(=O)NC(=S)Nc4ccccc4)cc3)C(=O)CC2)cc1 ZINC000103208529 JH Annotated Anodyne CCOP(=O)(OCC)O/C(COc1ccc([N+](=O)[O-])cc1)=N\N=C1/C(=O)Nc2ccccc21 ZINC000103209173 JH Annotated Mild CCCCNC(=O)c1c(CS(=O)(=O)c2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000103209467 JH Annotated Anodyne Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@H]4c4ccccc4)c[nH]c3c12 ZINC000103210039 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4)c[nH]c3c12 ZINC000103210043 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@H]4c4ccccc4)c[nH]c3c12 ZINC000103210045 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@@H]4c4ccccc4)c[nH]c3c12 ZINC000103210047 JH Annotated Reactive Cc1ccc(NC(=O)CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1 ZINC000103211086 JH Annotated Anodyne Cc1ccccc1NC(=O)CN1C(=O)C(=O)c2cc(Br)cc(Br)c21 ZINC000103211092 JH Annotated Anodyne COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(C)cc3)C[C@@H]2c2ccccc2)c(OC)c1 ZINC000103211401 JH Annotated Anodyne COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(C)cc3)C[C@H]2c2ccccc2)c(OC)c1 ZINC000103211405 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211555 JH Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211558 JH Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211561 JH Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103211564 JH Annotated Reactive COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O ZINC000103211568 JH Annotated Reactive COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O ZINC000103211573 JH Annotated Reactive COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O ZINC000103211576 JH Annotated Reactive COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O ZINC000103211579 JH Annotated Reactive O=c1n(Cc2nnc(S)o2)nc(Cc2ccc(Cl)cc2)n1CCc1c[nH]c2ccccc12 ZINC000103212983 JH Annotated Anodyne CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103214061 JH Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103214064 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@H]4c4ccccc4O)c[nH]c3c12 ZINC000103214627 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4O)c[nH]c3c12 ZINC000103214630 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@H]4c4ccccc4O)c[nH]c3c12 ZINC000103214633 JH Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@@H]4c4ccccc4O)c[nH]c3c12 ZINC000103214636 JH Annotated Reactive CC(C)(C)n1ncc(OCc2nnc(-c3c(F)c(F)c(F)c(F)c3F)o2)c(Cl)c1=O ZINC000103215889 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000103217351 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000103217358 JH Annotated Anodyne COc1ccc(C(=O)Cn2c(-c3ccccc3)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 ZINC000103217385 JH Annotated Clean Cc1ccnc(N2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccc(C)c(C)c4)c3=S)CC2)n1 ZINC000103217743 JH Annotated Mild CCOC(=O)N1CCN(CC(=O)N2[C@H](c3cccc(F)c3)CC(=O)[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000103218803 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3cccc(F)c3)CC(=O)[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000103218807 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(F)cc3)CC(=O)[C@H](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000103218812 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(F)cc3)CC(=O)[C@@H](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000103218818 JH Annotated Anodyne Cc1ccnc(N2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccc(Cl)cc4)c3=S)CC2)n1 ZINC000103219275 JH Annotated Mild Cc1cc(C)nc(N2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccccc4)c3=S)CC2)n1 ZINC000103219281 JH Annotated Mild Cc1cc(C)nc(N2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccccc4F)c3=S)CC2)n1 ZINC000103219284 JH Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(C)C ZINC000103222254 JH Annotated Reactive CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1F)P(=O)(OCCOC)OCCOC)SC ZINC000103222790 JH Annotated Reactive CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1F)P(=O)(OCCOC)OCCOC)SC ZINC000103222795 JH Annotated Reactive O=C1N(c2ccccc2)c2nc(CN3CCCC3)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103223485 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCC3)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103223489 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCC3)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103223492 JH Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCCC3)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103223497 JH Annotated Anodyne CCC[C@H](OC(=O)CCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225183 JH Annotated Anodyne CCC[C@@H](OC(=O)CCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225186 JH Annotated Anodyne CCC[C@H](SC(=O)CCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225203 JH Annotated Anodyne CCC[C@@H](SC(=O)CCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225205 JH Annotated Anodyne COc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(Br)cc3)C2)ccc1-n1cnc(C)c1 ZINC000103225430 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H]5[C@@H]6C=C[C@H](C6)[C@@H]5C4=O)c3)CC2)c1C ZINC000103225664 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H]5[C@@H]6C=C[C@H](C6)[C@H]5C4=O)c3)CC2)c1C ZINC000103225667 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H]5CC=C[C@@H](C)[C@H]5C4=O)c3)CC2)c1C ZINC000103225703 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H]5CC=C[C@H](C)[C@H]5C4=O)c3)CC2)c1C ZINC000103225707 JH Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000103226758 JH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000103226763 JH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000103229669 JH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000103229674 JH Annotated Mild COc1ccc(-c2cnn(-c3ccc4c5c(cccc35)C(=O)N(CCN(C)C)C4=O)c2)cc1OC ZINC000103230284 JH Annotated Anodyne CCCCCC[C@H](CCCCC[C@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1O ZINC000103230329 JH Annotated Anodyne CCCCCC[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1O ZINC000103230332 JH Annotated Anodyne NC(=O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1 ZINC000103230388 JH Annotated Anodyne COc1ccc(-c2cn3nc(-c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)sc3n2)cc1 ZINC000103230617 JH Annotated Bother CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000103231715 JH Annotated Anodyne CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000103231718 JH Annotated Anodyne C=CCc1cc(OC)c(O[C@H](COC(C)=O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000103231815 JH Annotated Mild Cc1c(Nc2ccc(C#N)cc2Cl)ncnc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 ZINC000103232125 JH Annotated Mild CCCCNC(=O)O[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O ZINC000103232787 JH Annotated Anodyne CN1C(=O)C(=Cc2cn(Cc3ccccc3Br)c3ccccc23)C(=O)N(C)C1=O ZINC000103233291 JH Annotated Clean Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)s1 ZINC000103238649 JH Annotated Reactive Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc(C#N)cc3)n2-c2ccccc2)s1 ZINC000103238662 JH Annotated Reactive O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000103238668 JH Annotated Reactive COc1c(-c2cc(-c3cccnc3)nn2-c2ccc(S(N)(=O)=O)cc2)c(O)c(OC)c2occc12 ZINC000103240050 JH Annotated Anodyne COc1cccc(-c2cn(C/C=C/COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)nn2)c1 ZINC000103240123 JH Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H]([C@]3(C)CO3)[C@H]12 ZINC000103241583 JH Annotated Anodyne Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000103241792 JH Annotated Reactive CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccncc2)c1 ZINC000103242678 JH Annotated Mild Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C(F)(F)F)n(C3CCOCC3)c2n1 ZINC000103243476 JH Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3cccc(C(F)(F)F)c3)n(C3CCOCC3)c2n1 ZINC000103243478 JH Annotated Anodyne COc1cc2c(cc1OC/C=C\Cn1cc(-c3ccccc3OC)nn1)N=C[C@@H]1CCCN1C2=O ZINC000103244645 JH Annotated Anodyne COc1cccc(-c2cn(C/C=C\COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)nn2)c1 ZINC000103244647 JH Annotated Anodyne COc1ccc(-c2cn(C/C=C\COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)nn2)cc1 ZINC000103244649 JH Annotated Anodyne COc1cc2c(cc1OC/C=C/Cn1cc(-c3ccccc3OC)nn1)N=C[C@@H]1CCCN1C2=O ZINC000103244652 JH Annotated Anodyne COc1ccc(-c2cn(C/C=C/COc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)nn2)cc1 ZINC000103244654 JH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@H]2C[C@@H]3C[C@@H]3C2)C(=O)C1 ZINC000103246455 JH Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCC2(OCC3(CC3)CO2)[C@H](O)C1 ZINC000103246457 JH Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCC2(OCC3(CC3)CO2)[C@@H](O)C1 ZINC000103246460 JH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(OCC3(CC3)CO2)[C@H](O)C1 ZINC000103246462 JH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(OCC3(CC3)CO2)[C@@H](O)C1 ZINC000103246464 JH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC(N2CCOC2=O)CC1 ZINC000103246469 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(Cl)cc2C(F)(F)F)C3=O)cn1 ZINC000103247252 JH Annotated Anodyne O=S(=O)(c1ccccc1)n1cc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)nn1 ZINC000103247843 JH Annotated Bother Cc1ccc(S(=O)(=O)n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 ZINC000103247845 JH Annotated Bother CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F ZINC000103250994 JH Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(=O)[nH]c2cc1F ZINC000103252934 JH Annotated Anodyne COc1nc(N2CCN(C)CC2)nc(OC)c1Sc1cccc(NC(=O)C2CCCCC2)c1 ZINC000103254925 JH Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(Cc3ccc(Cl)cc3)c2cc1N1CCN(c2ccccn2)CC1 ZINC000103255755 JH Annotated Anodyne COc1c(-c2cc(-c3cccnc3)nn2-c2ccc(S(N)(=O)=O)cc2)c(O)cc2occc12 ZINC000103257050 JH Annotated Anodyne CCc1cnc(N2CCC([C@@H](C)COC(=O)N3CCc4cc(S(C)(=O)=O)cc(F)c43)CC2)nc1 ZINC000103258706 JH Annotated Anodyne CCc1cnc(N2CCC([C@H](C)COC(=O)N3CCc4cc(S(C)(=O)=O)cc(F)c43)CC2)nc1 ZINC000103258708 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC ZINC000103259090 JH Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4cccc5ccccc45)nn3)[C@@H]2CC1 ZINC000103259285 JH Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccccc4Br)nn3)[C@@H]2CC1 ZINC000103259289 JH Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccc(Br)cc4)nn3)[C@@H]2CC1 ZINC000103259293 JH Annotated Anodyne Cc1cc(S(C)(=O)=O)cc2c1N(C(=O)OCCC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000103259816 JH Annotated Anodyne CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261065 JH Annotated Anodyne Nc1nn(Cc2cn(-c3ccc(O)c([N+](=O)[O-])c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261119 JH Annotated Bother Nc1nn(Cc2cn(CC(=O)Nc3ccccc3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261123 JH Annotated Anodyne Nc1nn(Cc2cn(CC(=O)NC3CCCCC3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261147 JH Annotated Anodyne COc1ccc([C@H]2NC(=N)NC(c3ccc(S(C)(=O)=O)cc3)=C2c2ccccc2)cc1OC ZINC000103262491 JH Annotated Anodyne COc1ccc([C@@H]2NC(=N)NC(c3ccc(S(C)(=O)=O)cc3)=C2c2ccccc2)cc1OC ZINC000103262492 JH Annotated Anodyne COc1ccc(OC)c([C@H]2NC(=N)NC(c3ccc(S(C)(=O)=O)cc3)=C2c2ccccc2)c1 ZINC000103262495 JH Annotated Anodyne COc1ccc(OC)c([C@@H]2NC(=N)NC(c3ccc(S(C)(=O)=O)cc3)=C2c2ccccc2)c1 ZINC000103262497 JH Annotated Anodyne CCOC1=C(/C(C)=N/OCC(=O)Nc2ccc(F)c(Cl)c2)N(C)S(=O)(=O)c2ccccc21 ZINC000103264388 JH Annotated Mild N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4nc(C(N)=O)ccc34)c2=O)c1 ZINC000103265107 JH Annotated Mild C/C(=N\OCC(=O)Nc1ccc(C(F)(F)F)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000103265491 JH Annotated Mild CC[C@@H](C)C[C@@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 ZINC000103267997 JH Annotated Mild CC[C@H](C)C[C@@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 ZINC000103267999 JH Annotated Mild CC[C@@H](C)C[C@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 ZINC000103268002 JH Annotated Mild CC[C@H](C)C[C@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 ZINC000103268004 JH Annotated Mild CC[C@@H](C)C[C@@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 ZINC000103268005 JH Annotated Mild CC[C@H](C)C[C@@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 ZINC000103268007 JH Annotated Mild CC[C@@H](C)C[C@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 ZINC000103268009 JH Annotated Mild CC[C@H](C)C[C@H](C)C[C@@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 ZINC000103268011 JH Annotated Mild CCOC(=O)c1cc2cc(OC)c(O)c(Cn3ccnc3)c2nc1C[S@](=O)c1ccc(F)cc1 ZINC000103268073 JH Annotated Clean CCOC(=O)c1cc2cc(OC)c(O)c(Cn3ccnc3)c2nc1C[S@@](=O)c1ccc(F)cc1 ZINC000103268077 JH Annotated Clean Cc1ccc(-c2cc(C(C)(C)C)cc3cc(N4CCC[C@H](CNS(C)(=O)=O)C4)cnc23)c(=O)[nH]1 ZINC000103268729 JH Annotated Anodyne Cc1ccc(-c2cc(C(C)(C)C)cc3cc(N4CCC[C@@H](CNS(C)(=O)=O)C4)cnc23)c(=O)[nH]1 ZINC000103268731 JH Annotated Anodyne C1=C2CCN3Cc4cc5c(cc4[C@H]([C@H](OCc4cccnc4)[C@H]1OCc1cccnc1)[C@@H]23)OCO5 ZINC000103269009 JH Annotated Anodyne N#Cc1cc2cnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2n(C2CCCC2)c1=O ZINC000103269266 JH Annotated Mild Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CSC[C@@H]2[C@H](c2ncc[nH]2)[C@@]1(C#N)C(=O)c1c[nH]c2ccccc12 ZINC000103269777 JH Annotated Mild Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CSC[C@H]2[C@H](c2ncc[nH]2)[C@@]1(C#N)C(=O)c1c[nH]c2ccccc12 ZINC000103269779 JH Annotated Mild N#C[C@@]1(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ncc[nH]2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000103269793 JH Annotated Mild N#C[C@@]1(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ncc[nH]2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000103269795 JH Annotated Mild CN1C(=O)[C@@]2(c3ccccc31)N1CSC[C@@H]1[C@H](c1ncc[nH]1)[C@@]2(C#N)C(=O)c1c[nH]c2ccccc12 ZINC000103269798 JH Annotated Mild CN1C(=O)[C@@]2(c3ccccc31)N1CSC[C@H]1[C@H](c1ncc[nH]1)[C@@]2(C#N)C(=O)c1c[nH]c2ccccc12 ZINC000103269800 JH Annotated Mild N#C[C@@]1(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ncc[nH]2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000103269802 JH Annotated Mild N#C[C@@]1(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ncc[nH]2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000103269804 JH Annotated Mild CN1C[C@H](c2ncc[nH]2)[C@@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000103269815 JH Annotated Mild Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ncccn3)c2c1 ZINC000103270449 JH Annotated Mild COC(=O)c1ccccc1OCc1cn(-c2cc(=O)oc3ccc(Br)cc23)nn1 ZINC000103271614 JH Annotated Anodyne COC(=O)c1ccc(OCc2cn(-c3cc(=O)oc4ccc(Br)cc34)nn2)cc1 ZINC000103271632 JH Annotated Anodyne COc1cc(Cc2nnc(Nc3ccc(Cl)cc3)s2)c(S(=O)(=O)N(C)C)cc1OC ZINC000103271916 JH Annotated Anodyne Nc1cc(F)ccc1Nc1ccc2c(c1)OCc1cc(OCCN3CCOCC3)ccc1C2=O ZINC000103273365 JH Annotated Anodyne CN(C)[C@@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2 ZINC000103276216 JH Annotated Anodyne CN(C)[C@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2 ZINC000103276218 JH Annotated Anodyne COc1cc(Cc2nnc(Nc3ccccc3)s2)c(S(=O)(=O)N2CCCC2)cc1OC ZINC000103276546 JH Annotated Anodyne O=P(O)(O)C(Nc1ncnc2sc(-c3ccc([C@@H]4CC4(F)F)cc3)cc12)P(=O)(O)O ZINC000103276794 JH Annotated Anodyne O=P(O)(O)C(Nc1ncnc2sc(-c3ccc([C@H]4CC4(F)F)cc3)cc12)P(=O)(O)O ZINC000103276795 JH Annotated Anodyne N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1NC(=O)c1ccc(Br)cc1 ZINC000103276861 JH Annotated Mild CCOCCOC(=O)/C(C#N)=C(/C)NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1 ZINC000103278006 JH Annotated Reactive COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)SC ZINC000103278009 JH Annotated Reactive CC(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@@H]13 ZINC000103279292 JH Annotated Anodyne O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cc(-c4ccc(Cl)cc4)ccc3-c3nnn[nH]3)CC[C@H]2CN1 ZINC000103279944 JH Annotated Anodyne CC/C(NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)=C(\C#N)C(=O)OCCOC ZINC000103281015 JH Annotated Reactive COc1cc(O)c2c(c1C)[C@H](C)[C@](O)(COC(=O)c1ccc(O)c(CC=C(C)C)c1)OC2=O ZINC000103281093 JH Annotated Anodyne COc1cc(O)c2c(c1C)[C@@H](C)[C@](O)(COC(=O)c1ccc(O)c(CC=C(C)C)c1)OC2=O ZINC000103281096 JH Annotated Anodyne COc1cc(O)c2c(c1C)[C@H](C)[C@@](O)(COC(=O)c1ccc(O)c(CC=C(C)C)c1)OC2=O ZINC000103281099 JH Annotated Anodyne COc1cc(O)c2c(c1C)[C@@H](C)[C@@](O)(COC(=O)c1ccc(O)c(CC=C(C)C)c1)OC2=O ZINC000103281103 JH Annotated Anodyne CCCCN1C(=S)N(c2cccc(Cl)c2)C(=O)C[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103281899 JH Annotated Anodyne CCCCN1C(=S)N(c2cccc(Cl)c2)C(=O)C[C@@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103281901 JH Annotated Anodyne O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl ZINC000103282406 JH Annotated Reactive O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl ZINC000103282409 JH Annotated Reactive O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@H](Cl)[C@H]1Cl ZINC000103282412 JH Annotated Reactive O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl ZINC000103282418 JH Annotated Reactive O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl ZINC000103282422 JH Annotated Reactive O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl ZINC000103282425 JH Annotated Reactive O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@H](Cl)[C@H]1Cl ZINC000103282427 JH Annotated Reactive O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl ZINC000103282428 JH Annotated Reactive CC(=O)NC1=NN(C(C)=O)C2(C[C@@H](c3ccccc3)N(C(C)=O)[C@H](c3ccccc3)C2)S1 ZINC000103284015 JH Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(C[C@H](c3ccccc3)N(C(C)=O)[C@@H](c3ccccc3)C2)S1 ZINC000103284019 JH Annotated Anodyne O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@H](Cl)[C@@H]1Cl ZINC000103284633 JH Annotated Reactive O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl ZINC000103284635 JH Annotated Reactive O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@H](Cl)[C@H]1Cl ZINC000103284637 JH Annotated Reactive O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@@H](Cl)[C@H]1Cl ZINC000103284639 JH Annotated Reactive Cc1ccccc1NC(=S)NC(=O)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103286633 JH Annotated Bother Cc1cccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)c1 ZINC000103286635 JH Annotated Bother O=C(NC(=S)Nc1cccc(Cl)c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103286638 JH Annotated Bother CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cc(C)c2oc(=O)c(C(=O)OC)cc2c1 ZINC000103287330 JH Annotated Anodyne C[C@@]12CCCC(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])=C1C(=O)O[C@H]2c1ccoc1 ZINC000103290889 JH Annotated Reactive CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C(=O)N2Cc2ccccc2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103292166 JH Annotated Anodyne Nc1cc(F)ccc1Nc1ccc2c(c1)OCc1c(OCCN3CCOCC3)cccc1C2=O ZINC000103293009 JH Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000103294927 JH Annotated Mild COC(=O)c1sc(-c2ccco2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298519 JH Annotated Anodyne COC(=O)c1sc(-c2ccco2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298522 JH Annotated Anodyne O=[N+]([O-])c1cccc(S(=O)(=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1 ZINC000103299148 JH Annotated Bother COc1c(O)ccc(/C=N/NC(=O)Cc2cccc3c(=O)c4ccc(C)c(C)c4oc23)c1[N+](=O)[O-] ZINC000103299253 JH Annotated Reactive O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1c2ccsc2-c2c1cnn2-c1ccccc1 ZINC000103300401 JH Annotated Anodyne O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1c2ccsc2-c2c1cnn2-c1ccccc1 ZINC000103300405 JH Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1cc(O)c(O)c(O)c1 ZINC000103301082 JH Annotated Mild CCN(Cc1ccc(F)cc1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301276 JH Annotated Anodyne CCN(Cc1ccc(F)cc1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301292 JH Annotated Anodyne O=C1CCCC2=C1[C@H](c1ccc(Br)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303497 JH Annotated Mild CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCCCCC2)c(OC)c1 ZINC000103342983 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCCCCC2)c(OC)c1 ZINC000103342987 JH Annotated Anodyne Cc1cc(C)nc(-n2/c(=N/c3ccccc3)cc(O)c3c(C)n(-c4ccccc4)c(=O)nc32)n1 ZINC000103520691 JH Annotated Anodyne O=C1NCC/C=C/CCC[C@@H](C(=O)NCc2ccccc2)C(=O)Cc2c(Cl)c(O)cc(O)c21 ZINC000103521359 JH Annotated Anodyne CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC2CCCCC2)C(C(=O)O)=C3C1 ZINC000103524784 JH Annotated Anodyne in-vitro biogenic Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN([C@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000103528819 JH Annotated Mild Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN([C@@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000103528829 JH Annotated Mild COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN([C@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000103528847 JH Annotated Mild CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CCN1CCN(C(=O)c2ccccc2)CC1 ZINC000103530475 JH Annotated Mild COc1cc(-c2cc(NC(=O)Cn3ncc4c5ccccc5nc-4c3O)on2)cc(OC)c1OC ZINC000103535882 JH Annotated Anodyne Cc1cccc(-n2c(SCc3cc(=O)n4cc(Br)ccc4n3)nc3nncc-3c2O)c1 ZINC000103538213 JH Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCc1ccccc1 ZINC000103541835 JH Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCc1ccccc1 ZINC000103541839 JH Annotated Anodyne C/C(=N\CCCN1CCOCC1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O ZINC000103545152 JH Annotated Mild CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)C(=O)c1nn2c(nc(=O)c3ccc(Cl)cc32)s1 ZINC000103547135 JH Annotated Mild CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)Cc1c[cH-]c(=O)nc1 ZINC000103563499 JH Annotated Mild in-vitro biogenic CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000103572643 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000103572650 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000103572990 JH Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1)C(=O)NC1CCCCC1 ZINC000103618234 JH Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1)C(=O)NC1CCCCC1 ZINC000103618237 JH Annotated Anodyne Cc1cc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nnc(C)c-3c2N)ccc1Cl ZINC000103623261 JH Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1)C(=O)N1CCC(C)CC1 ZINC000103623355 JH Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1)C(=O)N1CCC(C)CC1 ZINC000103623360 JH Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1C ZINC000103649586 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000103649592 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000103659970 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000103659976 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000103660059 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000103660067 JH Annotated Mild O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103662072 JH Annotated Anodyne O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103662075 JH Annotated Anodyne O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103662397 JH Annotated Anodyne O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103662400 JH Annotated Anodyne C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000103671016 JH Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000103671023 JH Annotated Mild COc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nc3nncc-3c2O)cc1Cl ZINC000103671969 JH Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N(C)c3ccc(F)cc3)nc3nncc-3c2O)cc1 ZINC000103672046 JH Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000103673961 JH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000103673965 JH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000103673980 JH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000103673987 JH Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c(C)c1 ZINC000103674037 JH Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000103674041 JH Annotated Mild CC(C)CCn1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000103687192 JH Annotated Reactive O=C(CSCc1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1)Nc1cccc(C(F)(F)F)c1 ZINC000103738413 JH Annotated Anodyne O=C(c1cccs1)N1CCC(c2nc3n(Cc4c(Cl)cccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103743621 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103743641 JH Annotated Anodyne O=C(NCCc1cccs1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000103765497 JH Annotated Bother CCOc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc23)cc1 ZINC000103792848 JH Annotated Anodyne O=C(O)CO[C@@]12C#C/C=C/C#C[C@@H]3N(C(=O)Oc4ccccc4)c4ccccc4[C@]14O[C@@]34CCC2 ZINC000103843613 JH Annotated Mild COc1cc(OC)cc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)n3[nH]2)c1 ZINC000103868383 JH Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@H]2/C(=C(/O)OC)C(C)=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103877881 JH Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@@H]2/C(=C(/O)OC)C(C)=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103877885 JH Annotated Anodyne O=C(CSc1n[nH]c2c3ccccc3nc-2n1)CSc1n[nH]c2c3ccccc3nc-2n1 ZINC000103886179 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccs4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000103889314 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccs4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000103889320 JH Annotated Anodyne CO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1cc(OC)c(O)c(I)c1Cl ZINC000103907071 JH Annotated Anodyne CO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1cc(OC)c(O)c(I)c1Cl ZINC000103907073 JH Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(F)cc1 ZINC000103915790 JH Annotated Mild O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccc(F)cc1 ZINC000103915794 JH Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000103919207 JH Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000103919211 JH Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000103919214 JH Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000103919216 JH Annotated Mild Cc1ccc(NC(=O)N2CCC(c3nc4n(Cc5cccc(Cl)c5)[nH]nc-4c(=O)n3)CC2)cc1 ZINC000103942801 JH Annotated Anodyne CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1 ZINC000103953142 JH Annotated Anodyne CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1 ZINC000103953149 JH Annotated Anodyne CCCCCCC(=O)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103960163 JH Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)Cc5cccs5)C4)nc2-3)cc1 ZINC000103970677 JH Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)Cc5cccs5)C4)nc2-3)cc1 ZINC000103970682 JH Annotated Anodyne CC(=O)c1cc2c(cc1/N=C(\O)CSc1nc3nncc-3c(O)n1-c1ccccc1)OCO2 ZINC000103971561 JH Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1ccc(Br)cc1)NCc1cccs1 ZINC000103976349 JH Annotated Anodyne Cc1ccccc1-n1c(SCc2cc(=O)n3cc(Br)ccc3n2)nc2nncc-2c1O ZINC000103976367 JH Annotated Anodyne Cc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nncc-3c2O)cc1Cl ZINC000103976764 JH Annotated Anodyne O=c1cc(CSc2nc3nncc-3c(O)n2-c2ccc(Br)cc2)nc2ccccn12 ZINC000103976848 JH Annotated Anodyne Cc1cccc2nc(CSc3nc4nncc-4c(O)n3-c3ccc(Br)cc3)cc(=O)n12 ZINC000103976876 JH Annotated Anodyne Cc1c(Cl)cccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2nncc-2c1O ZINC000103976882 JH Annotated Anodyne O=C(c1cccs1)N1CCC[C@H](c2nc3n(Cc4c(Cl)cccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000103984132 JH Annotated Anodyne O=C(c1cccs1)N1CCC[C@@H](c2nc3n(Cc4c(Cl)cccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000103984135 JH Annotated Anodyne COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000103994397 JH Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000103994404 JH Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000103994411 JH Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000103994418 JH Annotated Mild CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccc(C)c1 ZINC000103999653 JH Annotated Bother COc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000104005337 JH Annotated Mild COc1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000104005342 JH Annotated Mild O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)N1C[C@H]1CCCO1)Nc1ccc2c(c1)OCCO2 ZINC000104005478 JH Annotated Anodyne O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)N1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCCO2 ZINC000104005483 JH Annotated Anodyne CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000104005645 JH Annotated Mild CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000104005650 JH Annotated Mild COc1ccccc1[C@H]1C2=C(C)NN(c3ccccc3)C2=NC(=O)[C@H]1NC(=O)c1ccccc1 ZINC000104006413 JH Annotated Anodyne COc1ccccc1[C@@H]1C2=C(C)NN(c3ccccc3)C2=NC(=O)[C@H]1NC(=O)c1ccccc1 ZINC000104006418 JH Annotated Anodyne COc1ccccc1[C@H]1C2=C(C)NN(c3ccccc3)C2=NC(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000104006423 JH Annotated Anodyne COc1ccccc1[C@@H]1C2=C(C)NN(c3ccccc3)C2=NC(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000104006430 JH Annotated Anodyne COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000104006726 JH Annotated Mild COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000104006730 JH Annotated Mild COc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000104006735 JH Annotated Mild COc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000104006738 JH Annotated Mild CN(Cc1ccc(-n2cccn2)cc1)C(=O)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104007796 JH Annotated Anodyne CN(Cc1ccc(-n2cccn2)cc1)C(=O)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104007802 JH Annotated Anodyne CN(Cc1ccc(-n2cccn2)cc1)C(=O)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104007805 JH Annotated Anodyne CN(Cc1ccc(-n2cccn2)cc1)C(=O)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104007808 JH Annotated Anodyne COc1ccccc1NC(=O)C1=CC2=N[C@H](c3ccc4c(c3)OCO4)C[C@H](C(F)(F)F)N2N1 ZINC000104008436 JH Annotated Anodyne COc1ccccc1NC(=O)C1=CC2=N[C@@H](c3ccc4c(c3)OCO4)C[C@H](C(F)(F)F)N2N1 ZINC000104008441 JH Annotated Anodyne COc1ccccc1NC(=O)C1=CC2=N[C@H](c3ccc4c(c3)OCO4)C[C@@H](C(F)(F)F)N2N1 ZINC000104008445 JH Annotated Anodyne COc1ccccc1NC(=O)C1=CC2=N[C@@H](c3ccc4c(c3)OCO4)C[C@@H](C(F)(F)F)N2N1 ZINC000104008449 JH Annotated Anodyne C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)c(C)c1 ZINC000104009564 JH Annotated Mild C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000104009570 JH Annotated Mild Cc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009734 JH Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009738 JH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009742 JH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009747 JH Annotated Anodyne Cc1ccccc1Cn1nc(C)c(NC(=O)C2=CC3=N[C@H](C(F)F)C[C@H](C(F)F)N3N2)c1C ZINC000104012740 JH Annotated Anodyne Cc1ccccc1Cn1nc(C)c(NC(=O)C2=CC3=N[C@@H](C(F)F)C[C@H](C(F)F)N3N2)c1C ZINC000104012746 JH Annotated Anodyne Cc1ccccc1Cn1nc(C)c(NC(=O)C2=CC3=N[C@H](C(F)F)C[C@@H](C(F)F)N3N2)c1C ZINC000104012753 JH Annotated Anodyne Cc1ccccc1Cn1nc(C)c(NC(=O)C2=CC3=N[C@@H](C(F)F)C[C@@H](C(F)F)N3N2)c1C ZINC000104012758 JH Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000104013060 JH Annotated Anodyne O=C(C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000104013066 JH Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000104013075 JH Annotated Anodyne O=C(C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000104013080 JH Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@H]1c1ccc(C)o1 ZINC000104014186 JH Annotated Mild CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1ccc(C)o1 ZINC000104014190 JH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@H]1c1ccncc1 ZINC000104014219 JH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1ccncc1 ZINC000104014225 JH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@H]1c1ccco1 ZINC000104014263 JH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1ccco1 ZINC000104014267 JH Annotated Mild CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2c2ccc(C)cc2C)s1 ZINC000104019442 JH Annotated Mild COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N1)CC2 ZINC000104037826 JH Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)n(-c2ccccc2)n1 ZINC000104038273 JH Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)n(-c2ccccc2)n1 ZINC000104038276 JH Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)n(-c2ccccc2)n1 ZINC000104038281 JH Annotated Anodyne Cc1cc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)n(-c2ccccc2)n1 ZINC000104038286 JH Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)ccc1OCCO ZINC000104075633 JH Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)ccc1OCCO ZINC000104075636 JH Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)ccc1OCCO ZINC000104075639 JH Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)ccc1OCCO ZINC000104075642 JH Annotated Anodyne C/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C/c1ccc(OC(F)F)c(OC)c1 ZINC000104078802 JH Annotated Mild CCOc1ccc(/C=N/N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N/C)cc1OC ZINC000104078972 JH Annotated Mild C=CCOc1ccc(/C=N/N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N/C)cc1 ZINC000104079502 JH Annotated Mild CCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000104092409 JH Annotated Anodyne CCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000104092413 JH Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cc(Br)ccc1OC)C1=C(O)c3ccccc3C1=N2 ZINC000104100930 JH Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cc(Br)ccc1OC)C1=C(O)c3ccccc3C1=N2 ZINC000104100935 JH Annotated Anodyne O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000104106996 JH Annotated Bother O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000104107001 JH Annotated Bother O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000104107005 JH Annotated Bother O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000104107007 JH Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1cccc(C)c1 ZINC000104110551 JH Annotated Bother CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113656 JH Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113659 JH Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113803 JH Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113809 JH Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113814 JH Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000104113819 JH Annotated Mild CCCC(=O)O[C@H]1CC/C(C)=C\C=C(/[C@@H](C)C(=O)OC)C(=O)[C@H]2[C@H](C)[C@H](O)C[C@H](OC(C)=O)[C@]12C ZINC000104159762 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179400 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179403 JH Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)c5cccs5)C4)nc2-3)cc1 ZINC000104179478 JH Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)c5cccs5)C4)nc2-3)cc1 ZINC000104179481 JH Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)Nc5ccc(F)cc5F)C4)nc2-3)cc1 ZINC000104179518 JH Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)Nc5ccc(F)cc5F)C4)nc2-3)cc1 ZINC000104179522 JH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213957 JH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213959 JH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213965 JH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213970 JH Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)CC1 ZINC000104215627 JH Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)CC1 ZINC000104215631 JH Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)CC1 ZINC000104215635 JH Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)CC1 ZINC000104215639 JH Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N/CCNCC/N=C\2 ZINC000104243906 JH Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N/CCNCC/N=C/2 ZINC000104243912 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266412 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266416 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266421 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266425 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267860 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267865 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267867 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267871 JH Annotated Anodyne C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000104384535 JH Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000104384539 JH Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000104384542 JH Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000104384545 JH Annotated Mild COc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384607 JH Annotated Mild COc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384612 JH Annotated Mild COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384617 JH Annotated Mild COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000104384620 JH Annotated Mild CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416248 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416252 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416254 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416258 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104421128 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104421132 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104421135 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104421140 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104425197 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104425201 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104425205 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000104524787 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000104524791 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104529070 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104529073 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104529077 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000104529079 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000104557376 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000104557383 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000104557388 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000104557395 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000104557467 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000104557471 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000104557477 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000104557483 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000104561140 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000104561144 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000104561148 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000104561153 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104561178 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000104561183 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000104579654 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000104579659 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000104634884 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000104634887 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000104634894 JH Annotated Anodyne O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000104679023 JH Annotated Clean Cc1nn(-c2ccc(Br)cc2)c(O)c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000104691000 JH Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)cc(Br)c1O ZINC000104700664 JH Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)cc(Br)c1O ZINC000104700667 JH Annotated Anodyne Cc1cc(S(=O)(=O)N2CCOCC2)ccc1/N=C/c1c(C)nn(-c2ccc(Cl)cc2)c1O ZINC000104702362 JH Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)ccc1OCC(N)=O ZINC000104705379 JH Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)ccc1OCC(N)=O ZINC000104705383 JH Annotated Anodyne CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000104755262 JH Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000105173542 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000105173546 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173644 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173649 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175630 JH Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175633 JH Annotated Bother COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175746 JH Annotated Bother COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175750 JH Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000105177870 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000105177874 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177997 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178000 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105178501 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105178506 JH Annotated Anodyne COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2C)cc1 ZINC000105381821 JH Annotated Clean CN1C(=O)[C@]23CCCCN2C[C@]12C[C@]1(C(=O)Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)[C@@H]2C3 ZINC000105392586 JH Annotated Anodyne O=C1CCC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)O1 ZINC000105398565 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@H]2c2ccc(C)o2)nc1C ZINC000105430641 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@@H]2c2ccc(C)o2)nc1C ZINC000105430647 JH Annotated Anodyne CC(C)(C)c1cc([C@@H]2c3cc4c(cc3O[C@@](O)(CO)[C@H]2C(=O)O)OCO4)cc(C(C)(C)C)c1O ZINC000105473663 JH Annotated Anodyne C[C@H](C(=O)N1C(=O)N(C(=O)[C@H](C)[C@H](O)c2ccccc2)[C@@H]2CCCC[C@H]21)[C@H](O)c1ccccc1 ZINC000105510709 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000105558589 JH Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C(=O)[C@@H](C)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000105565662 JH Annotated Mild CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000105565695 JH Annotated Anodyne CC(=O)O[C@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000105565703 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000105573603 JH Annotated Anodyne CCC/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3/C(C)=C/[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4/C(C)=C/C=C\[C@H]3C(=O)N12 ZINC000107434828 JH Annotated Anodyne O=C1CC[C@H](C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)N1 ZINC000107466871 JH Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)o1 ZINC000108463494 JH Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)o1 ZINC000108463498 JH Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000108463501 JH Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Br)c2)[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108673581 JH Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Br)c2)[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108673585 JH Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Br)c2)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108673589 JH Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Br)c2)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108673592 JH Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000110755159 JH Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000110755163 JH Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000110755167 JH Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000110755171 JH Annotated Anodyne CN(C)CCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1 ZINC000110931562 JH Annotated Anodyne CN(C)CCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1 ZINC000110931568 JH Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCOCC5)cc4c3c2)cc1OC ZINC000113197047 JH Annotated Anodyne COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C(=O)C6CC6)CC5)ccc4c3c2)c1 ZINC000113199359 JH Annotated Anodyne NC(=O)c1cc(-c2ccc3scnc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113201268 JH Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5C[C@@H]6C[C@H]5CO6)cc4c3c2)cc1F ZINC000113201996 JH Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCC(O)CC5)cc4c3c2)cc1F ZINC000113202971 JH Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c3c2)cc1F ZINC000113203219 JH Annotated Anodyne COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCC[C@H](O)C5)cc4c3c2)cc1F ZINC000113203259 JH Annotated Anodyne NC(=O)c1cc(-c2cccc(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCO[C@@H](CO)C3)cc12 ZINC000113206715 JH Annotated Anodyne NC(=O)c1cc(-c2cccc(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCO[C@H](CO)C3)cc12 ZINC000113206717 JH Annotated Anodyne N#Cc1ccc(C(=O)c2nc3ccc(N4CCNCC4)nc3[nH]2)cc1-c1cncc2ccccc12 ZINC000113226844 JH Annotated Mild COc1cc2ncc3c(c2cc1OCc1cncs1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113242235 JH Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@H](C(=O)OC(C)(C)C)C3)c2)cc1 ZINC000113409245 JH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@H](C(=O)OC(C)(C)C)C3)c2)cc1 ZINC000113409248 JH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)C3)c2)cc1 ZINC000113409250 JH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)C3)c2)cc1 ZINC000113409252 JH Annotated Mild COc1cc2ncc3c(c2cc1O[C@@H](C(N)=O)c1ccccc1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113412840 JH Annotated Anodyne COc1cc2ncc3c(c2cc1O[C@H](C(N)=O)c1ccccc1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113412843 JH Annotated Anodyne COc1ccc(-c2cc3c(cc2OC)ncc2c3n(-c3ccc(C#N)cc3F)c(=O)n2C)cn1 ZINC000113415217 JH Annotated Anodyne Clc1cccc2nc(CSc3nc(-c4ccccc4)cn3CCN3CCOCC3)nn12 ZINC000113420671 JH Annotated Anodyne Clc1cccn2nc(CSc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc12 ZINC000113422963 JH Annotated Anodyne Cn1c(C2(C)CC2)c/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)n1C[C@H]1CCCO1 ZINC000113478286 JH Annotated Anodyne Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(C#N)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1 ZINC000113478503 JH Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(N)=O ZINC000113479000 JH Annotated Reactive COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)CC(C)(C)C)C4)c3C2)cc1C(F)(F)F ZINC000113568242 JH Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(/C(N)=N\O)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000113590347 JH Annotated Mild CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(/C(N)=N\O)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000113590349 JH Annotated Mild COc1ccc(-n2c(CCN3C(=O)c4cccc(OC)c4C3=O)nc3cc(C)ccc3c2=O)cc1 ZINC000113769954 JH Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000114097544 JH Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCN1 ZINC000114097546 JH Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000114099993 JH Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000114099995 JH Annotated Anodyne COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2CC1CC1 ZINC000114158760 JH Annotated Anodyne Cc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114159604 JH Annotated Anodyne COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000114161754 JH Annotated Anodyne COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1 ZINC000114161975 JH Annotated Anodyne COc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)ccc1Cl ZINC000114180642 JH Annotated Anodyne CC(C)c1csc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)n1 ZINC000114182374 JH Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3nc4ccccc4s3)n[nH]c2C1(C)C ZINC000114182385 JH Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3nc(Cl)c(Cl)s3)n[nH]c2C1(C)C ZINC000114183645 JH Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc4ccccc4n3)n[nH]c2C1(C)C ZINC000114184647 JH Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(F)c(Cl)c3)n[nH]c2C1(C)C ZINC000114185364 JH Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3c(F)cccc3Cl)n[nH]c2C1(C)C ZINC000114190133 JH Annotated Anodyne O=C(N[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1 ZINC000114341283 JH Annotated Anodyne O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1 ZINC000114341285 JH Annotated Anodyne O=C(N[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1 ZINC000114341287 JH Annotated Anodyne O=C(N[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1 ZINC000114341288 JH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cnc(C(F)(F)F)cn2)c1 ZINC000114342938 JH Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(Cl)c2)c1 ZINC000114343948 JH Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(Cl)c2)c1 ZINC000114343950 JH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000114344103 JH Annotated Anodyne COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC000114344167 JH Annotated Anodyne COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC000114344169 JH Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114344316 JH Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114344317 JH Annotated Anodyne CCS(=O)(=O)N1CCN(c2ccc3c(c2)CN2CCC3(c3ccc(Cl)cc3)CC2)CC1 ZINC000114344591 JH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)(F)F)n[nH]2)c1 ZINC000114345258 JH Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000114345641 JH Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114345955 JH Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114345956 JH Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)nc2)c1 ZINC000114346620 JH Annotated Anodyne CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)nc2)c1 ZINC000114346622 JH Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000114347017 JH Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000114347019 JH Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCC3)c3cccc(NC(=O)[C@@H]4CC4(F)F)c3)ncnc12 ZINC000114347525 JH Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCC3)c3cccc(NC(=O)[C@@H]4CC4(F)F)c3)ncnc12 ZINC000114347528 JH Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCC3)c3cccc(NC(=O)[C@H]4CC4(F)F)c3)ncnc12 ZINC000114347531 JH Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCC3)c3cccc(NC(=O)[C@H]4CC4(F)F)c3)ncnc12 ZINC000114347533 JH Annotated Anodyne CN(C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000114348504 JH Annotated Bother CN(C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000114348505 JH Annotated Bother CCOc1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000114348970 JH Annotated Anodyne CCOc1cc(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000114348972 JH Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000114349494 JH Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000114349496 JH Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cccnc3)c3c(c2OC)OCO3)CCN1C ZINC000114381730 JH Annotated Anodyne O=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1 ZINC000114420573 JH Annotated Anodyne CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C#N)cn1 ZINC000114684050 JH Annotated Mild Cc1ccc(NC(=O)[C@H](COC2CCC2)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1 ZINC000114684770 JH Annotated Anodyne CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000114686255 JH Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](n3nc(CC(=O)O)c4cc(Cl)ccc43)C2)cc1 ZINC000114688970 JH Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(CC(=O)O)c4ccc(F)cc43)C2)cc1 ZINC000114688979 JH Annotated Anodyne N[C@]1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000114708525 JH Annotated Anodyne N[C@@]1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000114708527 JH Annotated Anodyne O=C(O)[C@@H](CO)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114708602 JH Annotated Anodyne O=C(O)[C@H](CO)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114708806 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4C(=O)CN(C)C4=O)CC3)cc12 ZINC000114710352 JH Annotated Anodyne O=C(O)[C@H](CO)Nc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114710381 JH Annotated Anodyne O=C(O)CCNC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114710457 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)nc3)cc12 ZINC000114710696 JH Annotated Anodyne COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1C(=O)NCCO ZINC000114710857 JH Annotated Anodyne O=C(O)CN(CCO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114710889 JH Annotated Anodyne O=C(O)CNCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114711347 JH Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCC(CO)CC4)CC3)cc12 ZINC000114711917 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCN(C)CC4=O)CC3)cc12 ZINC000114712566 JH Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4C[C@H](C)O[C@H](C)C4)CC3)cc12 ZINC000114712621 JH Annotated Anodyne O=C1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCN1 ZINC000114713090 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)NCCN(C)C)nc3)cc12 ZINC000114713590 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(CN4C(=O)CNC4=O)CC3)cc12 ZINC000114713800 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N4CCN(C)CC4)CC3)cc12 ZINC000114713959 JH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCCS4(=O)=O)CC3)cc12 ZINC000114725211 JH Annotated Anodyne CN(CC(=O)O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114764673 JH Annotated Anodyne Cc1nc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1 ZINC000114804229 JH Annotated Anodyne Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc1NCc1nc(C)n(C)n1 ZINC000114809555 JH Annotated Anodyne CC(=O)N1CCc2cc(CCN3CCN(c4cc(F)cc5cc(C(=O)N(C)C)oc45)CC3)ccc21 ZINC000114869337 JH Annotated Anodyne CC1(C)OC[C@@H](COc2cc(F)cc([C@H]3CCCN3c3ccn4ncc(C(=O)NC5CC5)c4n3)c2)O1 ZINC000114905366 JH Annotated Anodyne CC1(C)OC[C@H](COc2cc(F)cc([C@H]3CCCN3c3ccn4ncc(C(=O)NC5CC5)c4n3)c2)O1 ZINC000114905367 JH Annotated Anodyne CC1(C)OC[C@@H](COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)O1 ZINC000114907444 JH Annotated Anodyne CC1(C)OC[C@H](COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)O1 ZINC000114907446 JH Annotated Anodyne NCCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978765 JH Annotated Anodyne NCCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978767 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)c(N)c3)CCC1)NCC2 ZINC000114978920 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)c(N)c3)CCC1)NCC2 ZINC000114978922 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3cccc(F)c3)CCC1)NCC2)c1cccnc1 ZINC000114979136 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(F)c3)CCC1)NCC2)c1cccnc1 ZINC000114979138 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(Cl)n3)CCC1)NCC2 ZINC000114980033 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3cccc(Cl)n3)CCC1)NCC2 ZINC000114980034 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)NCC2)c1cccnc1 ZINC000114980076 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)NCC2)c1cccnc1 ZINC000114980079 JH Annotated Anodyne COCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981010 JH Annotated Anodyne COCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981011 JH Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1 ZINC000114981336 JH Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1 ZINC000114981337 JH Annotated Anodyne CC(C)(O)CS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981703 JH Annotated Anodyne CC(C)(O)CS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981705 JH Annotated Anodyne CS(=O)(=O)NCCOc1cc2c(cc1F)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1 ZINC000114982984 JH Annotated Anodyne CS(=O)(=O)NCCOc1cc2c(cc1F)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1 ZINC000114982987 JH Annotated Anodyne NCCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114984099 JH Annotated Anodyne NCCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114984101 JH Annotated Anodyne COc1ccc(/C=C/C(=O)c2cc3c(cc2OCCN2CCOCC2)OCS3)cc1OC ZINC000114994601 JH Annotated Mild COc1ccc(CNc2n[nH]c3c2CCCc2cc(N4C[C@H](CNC(C)=O)OC4=O)ccc2-3)cc1 ZINC000011524638 JH Annotated Anodyne CC(C)c1nnc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3F)s2)s1 ZINC000011667660 JH Annotated Anodyne O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000011688597 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)CCc1ccccc1 ZINC000011691067 JH Annotated Bother O=C(c1cccnc1)[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cn4ccccc4n2)CCO3)C1 ZINC000011784628 JH Annotated Anodyne O=C(c1cccnc1)[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cn4ccccc4n2)CCO3)C1 ZINC000011784629 JH Annotated Anodyne COc1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCCN(C)CC2)cc1C ZINC000011911651 JH Annotated Anodyne OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(Cc2ccc4nsnc4c2)CCO3)CC1 ZINC000011912745 JH Annotated Anodyne Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011966442 JH Annotated Anodyne Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011966447 JH Annotated Anodyne Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)C1(c3ccccc3)CCCCC1)CC2 ZINC000011971249 JH Annotated Anodyne Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)C1(c3ccccc3)CCCCC1)CC2 ZINC000011971260 JH Annotated Anodyne Cc1ncc2c(c1CNS(=O)(=O)c1cccs1)CCN(C(=O)/C=C/c1cc(F)cc(F)c1)C2 ZINC000011972193 JH Annotated Anodyne COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)/C=C/c2ccc(OC)c(OC)c2)C3)nc1 ZINC000011977501 JH Annotated Anodyne COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)/C=C/c2ccc(OC)c(OC)c2)C3)nc1 ZINC000011977511 JH Annotated Anodyne COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CN(Cc1coc3ccc(C)cc3c1=O)CCO2 ZINC000011980888 JH Annotated Anodyne CC[C@@]1(C2CCN(C(=O)c3cc4ccccc4o3)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000011996106 JH Annotated Anodyne CC[C@]1(C2CCN(C(=O)c3cc4ccccc4o3)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000011996107 JH Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CNCCC2 ZINC000115007467 JH Annotated Anodyne O=C(O)CC1CCN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000115191071 JH Annotated Anodyne O=C(O)CC1CCN(C(=O)c2cnn3ccc(N4CCC[C@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000115191073 JH Annotated Anodyne COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3nc(CN(C)C)c[nH]3)c3nccnc23)c1F ZINC000115294111 JH Annotated Anodyne CCOCc1cc(C(=O)C[n+]2nc(N)n3nc(OC(CC)CC)ccc32)cc(C(C)(C)C)c1 ZINC000115447927 JH Annotated Mild COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115455163 JH Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115455706 JH Annotated Anodyne Cc1csc2c(Nc3n[nH]c4c3CN(C(=O)N3C[C@@H]5CCCN5C[C@@H]3C)C4(C)C)ncnc12 ZINC000115988995 JH Annotated Anodyne Cn1cnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)n1 ZINC000116184724 JH Annotated Anodyne Cc1csc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)n1 ZINC000116184856 JH Annotated Anodyne CC(C)[C@H]1CN(CC[C@@H]2CCCNC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116184872 JH Annotated Anodyne CC(C)[C@H]1CN(CC[C@H]2CCCNC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116184875 JH Annotated Anodyne Cc1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)n1 ZINC000116185067 JH Annotated Anodyne Cc1ccc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)cn1 ZINC000116185180 JH Annotated Anodyne Cc1ccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)cn1 ZINC000116185193 JH Annotated Anodyne Cn1ncnc1-c1ccc(-c2cnn3ccc(N4C(=O)OC[C@@H]4c4ccc(F)cn4)nc23)cc1F ZINC000116185420 JH Annotated Anodyne O=C1OC[C@@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185504 JH Annotated Anodyne Nc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cc5)nc34)cc2)o1 ZINC000116185858 JH Annotated Anodyne Cc1nc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)cs1 ZINC000116185878 JH Annotated Anodyne O=C1OC[C@H](Cc2ccccc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186320 JH Annotated Anodyne Cc1ccnc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)c1 ZINC000116186352 JH Annotated Anodyne Cc1csc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)n1 ZINC000116186446 JH Annotated Anodyne O=C1O[C@@H]2Cc3ccccc3[C@@H]2N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186687 JH Annotated Anodyne Cc1ccc(F)c([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)n1 ZINC000116186750 JH Annotated Anodyne Cc1cc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)ncc1F ZINC000116188937 JH Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OC[C@@H](O)CO)c[nH]3)c2)c1 ZINC000116235448 JH Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OC[C@H](O)CO)c[nH]3)c2)c1 ZINC000116235450 JH Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)NCC(=O)O)c[nH]3)c2)c1 ZINC000116238188 JH Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(C(=N)NO)c2)cn1 ZINC000116378958 JH Annotated Anodyne O=C(Nc1ccc(O[C@@H]2CC[C@@H](C(=O)O)CC2)nc1F)c1nnc(Nc2ccc(F)c(F)c2)o1 ZINC000116600970 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3CN(c4cc(C)nc(C(F)(F)F)n4)C[C@@H]3C2)c1 ZINC000116822372 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H]3CN(c4cc(C)nc(C(F)(F)F)n4)C[C@@H]3C2)c1 ZINC000116822374 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3CN(c4cc(C)nc(C(F)(F)F)n4)C[C@H]3C2)c1 ZINC000116822376 JH Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3nc4ccccc4nc3C(F)(F)F)C[C@@H]2C1 ZINC000116824546 JH Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3nc4ccccc4nc3C(F)(F)F)C[C@H]2C1 ZINC000116824547 JH Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@H]2CN(c3nc4ccccc4nc3C(F)(F)F)C[C@@H]2C1 ZINC000116824549 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)C[C@@H]3C2)c1 ZINC000116824585 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)C[C@H]3C2)c1 ZINC000116824587 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H]3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)C[C@@H]3C2)c1 ZINC000116824589 JH Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@H]3C2)nc(C(F)(F)F)n1 ZINC000116825127 JH Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]3C2)nc(C(F)(F)F)n1 ZINC000116825129 JH Annotated Anodyne Cc1cc(N2C[C@@H]3CN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@H]3C2)nc(C(F)(F)F)n1 ZINC000116825131 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@@H]2CN(c3cnc4cc(F)c(F)cc4n3)C[C@@H]2C1 ZINC000116825830 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2CN(c3cnc4cc(F)c(F)cc4n3)C[C@@H]2C1 ZINC000116825832 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1C[C@@H]2CN(c3cnc4cc(F)c(F)cc4n3)C[C@H]2C1 ZINC000116825834 JH Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccc(N(C)C)nc4)C[C@@H]32)n1 ZINC000116826844 JH Annotated Anodyne Cc1cc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)nc(C(F)(F)F)n1 ZINC000116826863 JH Annotated Anodyne COc1cc2c(cc1OC)-c1nc(N/N=C(/Cc3ccccc3[N+](=O)[O-])C(=O)O)sc1CC2 ZINC000116871798 JH Annotated Mild COc1cc2c(cc1OC)-c1nc(N/N=C(\Cc3ccccc3[N+](=O)[O-])C(=O)O)sc1CC2 ZINC000116871806 JH Annotated Mild O=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1cccc(OC(F)(F)F)c1 ZINC000117047946 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)c1 ZINC000117334453 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)c1 ZINC000117334456 JH Annotated Anodyne CNCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117336918 JH Annotated Anodyne CNCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117336921 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1c[nH]cn1 ZINC000117341120 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1c[nH]cn1 ZINC000117341122 JH Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](C(C)(C)c2ccc(Cl)cc2)NCC3)cn1 ZINC000117346637 JH Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@H](C(C)(C)c2ccc(Cl)cc2)NCC3)cn1 ZINC000117346640 JH Annotated Anodyne CN(C)CCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117349059 JH Annotated Anodyne CN(C)CCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117349061 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cn[nH]c1 ZINC000117354797 JH Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cn[nH]c1 ZINC000117354800 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](C(C)(C)c2ccc(Cl)cc2)NCC3)c1 ZINC000117358042 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](C(C)(C)c2ccc(Cl)cc2)NCC3)c1 ZINC000117358045 JH Annotated Anodyne COc1nc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)cs1 ZINC000117512323 JH Annotated Anodyne Cc1cc(-c2nn(C)c3nc(OCC(=O)N[C@H](C)c4c(C)nn(C)c4C)cc(C)c23)c(C)o1 ZINC000117514673 JH Annotated Anodyne Cc1cc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4c(C)nn(C)c4C)cc(C)c23)c(C)o1 ZINC000117514674 JH Annotated Anodyne CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000117594427 JH Annotated Anodyne CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000117720544 JH Annotated Anodyne in-vivo O=C(O)[C@@H]1[C@H]2CN(c3ccc(C(=O)N4CC[C@H](c5cccnc5)C4)c(SC4CCCC4)n3)C[C@H]21 ZINC000117752769 JH Annotated Anodyne O=C(O)[C@@H]1[C@H]2CN(c3ccc(C(=O)N4CC[C@@H](c5cccnc5)C4)c(SC4CCCC4)n3)C[C@H]21 ZINC000117752771 JH Annotated Anodyne Cc1cc(Nc2nccc(OCCO)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(N)=O)C(C)(C)C3)s2)c1 ZINC000117858025 JH Annotated Anodyne COCCOc1ccn2c(C(=O)Nc3cccc4c3c(OC)nn4Cc3ccc(C)nc3)cnc2c1 ZINC000117877044 JH Annotated Anodyne CCc1nn(Cc2cccc(OCCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117878466 JH Annotated Anodyne CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(CN(C)C)ccn34)c12 ZINC000117878767 JH Annotated Anodyne CCc1nn(Cc2cnn([C@@H]3CCNC[C@H]3F)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117881371 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC5CNC5)ccn34)c12 ZINC000117884601 JH Annotated Anodyne CCc1nn(Cc2cccc(N3CCC(N)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117885016 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNCC5)ccn34)c12 ZINC000117885246 JH Annotated Anodyne CCc1nn(Cc2cccc(O[C@H]3CCNC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117886650 JH Annotated Anodyne CCc1nn(Cc2cccc(O[C@@H]3CCNC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117886651 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CC[C@H](O)C5)ccn34)c12 ZINC000117887004 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CC[C@@H](O)C5)ccn34)c12 ZINC000117887010 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCO)ccn34)c12 ZINC000117889741 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N(C)C)ccn34)c12 ZINC000117896400 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC)ccn34)c12 ZINC000117896587 JH Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nn[nH]n3)c2)cn1 ZINC000118108494 JH Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3noc(=O)[nH]3)c2)cn1 ZINC000118118546 JH Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CC[C@@H](O)C1 ZINC000118393154 JH Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CC[C@H](O)C1 ZINC000118393182 JH Annotated Anodyne C[C@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)CCN1 ZINC000118395745 JH Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CCC[C@@H](O)C1 ZINC000118396041 JH Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CCC[C@H](O)C1 ZINC000118396074 JH Annotated Anodyne C[C@@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C[C@@H](C)N1 ZINC000118398232 JH Annotated Anodyne C[C@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C[C@@H](C)N1 ZINC000118398234 JH Annotated Anodyne CCN1CCN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000118399444 JH Annotated Anodyne CC(C)N1CCN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000118403169 JH Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CCC(O)CC1 ZINC000118410006 JH Annotated Anodyne COc1ncc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1 ZINC000118538517 JH Annotated Mild O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cnccc4c3)cc2F)C1 ZINC000118580037 JH Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(N5CCCC5=O)cc4)c(=O)c3)CC2)nc1 ZINC000118665822 JH Annotated Anodyne Cc1cc(C(=O)NC(C)(C)C(=O)Nc2nc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)no1 ZINC000118715621 JH Annotated Anodyne CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 ZINC000118719398 JH Annotated Anodyne Cc1c(C(=O)NCC#CCN(C)C)sc2ncnc(Nc3cccnc3O[C@H](C)C(F)(F)F)c12 ZINC000118816386 JH Annotated Mild Cc1c(C(=O)NCC#CCN(C)C)sc2ncnc(Nc3cccnc3O[C@@H](C)C(F)(F)F)c12 ZINC000118816389 JH Annotated Mild C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O ZINC000118843852 JH Annotated Anodyne C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O ZINC000118843854 JH Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(C#N)cc3OC(CF)CF)c12 ZINC000118877719 JH Annotated Mild Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1 ZINC000118901744 JH Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ccncn5)ccc42)C3)nc1 ZINC000118910745 JH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000118919725 JH Annotated Mild CCOC(=O)C/C=C(\C=O)[C@H]1[C@@H](O)C(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118919951 JH Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000118921837 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000118922240 JH Annotated Mild CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000118922707 JH Annotated Mild C[C@H]([C@@H]1C[C@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930055 JH Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930056 JH Annotated Mild O=C(c1cscn1)N1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012022223 JH Annotated Anodyne C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012022612 JH Annotated Anodyne C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012022616 JH Annotated Anodyne Cc1ncc2c(c1CNS(=O)(=O)c1cccs1)CCN(C(=O)/C=C/c1ccc(F)cc1F)C2 ZINC000012022848 JH Annotated Anodyne CC[C@@]1(C2CCN(Cc3ccc(C)s3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012025668 JH Annotated Anodyne CC[C@]1(C2CCN(Cc3ccc(C)s3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012025674 JH Annotated Anodyne CC[C@@]1(C2CCN(Cc3ccc(C)s3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012025679 JH Annotated Anodyne CC[C@]1(C2CCN(Cc3ccc(C)s3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012025687 JH Annotated Anodyne CN(C[C@@H]1COCCO1)C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000012025807 JH Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000012025813 JH Annotated Anodyne COc1ccc(CCN(C)C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C)cc1OC ZINC000012027640 JH Annotated Anodyne COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)c1cccs1)CC2 ZINC000012041441 JH Annotated Anodyne CN(C)CC(C)(C)CNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1-c1ccco1 ZINC000012048701 JH Annotated Anodyne COc1ccccc1[C@@H]1CN(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)Cc2ccccc2O1 ZINC000012049050 JH Annotated Anodyne COc1ccccc1[C@H]1CN(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)Cc2ccccc2O1 ZINC000012049054 JH Annotated Anodyne Cc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000012078382 JH Annotated Anodyne COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2cnn4cccnc24)O3)c1 ZINC000012079689 JH Annotated Anodyne COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cnn4cccnc24)O3)c1 ZINC000012079690 JH Annotated Anodyne CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2 ZINC000012080262 JH Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cnc4ccccn4c2=O)C3)c1 ZINC000012124468 JH Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2cnc4ccccn4c2=O)C3)c1 ZINC000012124482 JH Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1c(Br)cc(Br)cc1Br ZINC000012275865 JH Annotated Clean COc1ccc(CNCc2cc(NS(C)(=O)=O)cc(C(=O)N3CCCCC3)c2)c(C)c1C ZINC000012279465 JH Annotated Anodyne COCC(=O)Nc1cc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c2c(c1)nc(-c1ccncc1)n2C ZINC000012388121 JH Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000012466017 JH Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000012467185 JH Annotated Clean CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000012477499 JH Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000012479699 JH Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)NCc3nc4ccccc4[nH]3)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000012482492 JH Annotated Mild O=C1c2cc3sc(-c4cccc([N+](=O)[O-])c4)cc3n2C(=S)N1CCCN1CCOCC1 ZINC000012503715 JH Annotated Bother in-vivo C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc[n+]2O)[n+]1O)c1cccc(Cl)c1 ZINC000012504482 JH Annotated Anodyne investigational OCCOCCn1c([C@@H](CO)Nc2nc(-c3ccc(Cl)cc3)cs2)nc2ccccc21 ZINC000012507238 JH Annotated Anodyne OCCOCCn1c([C@H](CO)Nc2nc(-c3ccc(Cl)cc3)cs2)nc2ccccc21 ZINC000012507240 JH Annotated Anodyne O=C1CC[C@H](C(=O)OCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)N1 ZINC000012599627 JH Annotated Anodyne Cc1ccc(-n2c(=O)/c(=C/c3ccncc3)s/c2=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 ZINC000012604634 JH Annotated Mild COC(=O)c1ccc(CNC(=O)COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 ZINC000012622089 JH Annotated Anodyne COCCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725698 JH Annotated Anodyne CN(C)CCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725700 JH 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@@]21CC ZINC000012726461 JH Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000012726582 JH Annotated Anodyne CC[C@@]12C(=O)N(c3ccccc3)C(=O)N1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000012726625 JH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N1)CC2 ZINC000012844564 JH Annotated Anodyne Cc1c(C)c2c(OCC(=O)NCC3CCC(C(=O)O)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012890412 JH Annotated Anodyne CC(C)N(c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1)C(C)C ZINC000013002389 JH Annotated Anodyne CCCN(CCC)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1 ZINC000013002391 JH Annotated Anodyne Cc1ccc(-n2c(=O)/c(=C\c3ccncc3)s/c2=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 ZINC000013051409 JH Annotated Mild COc1ccc(-n2c(O)c(Cc3ccccc3)c(=O)n3nc(-c4ccccc4)c(=O)cc23)cc1 ZINC000013108428 JH Annotated Anodyne C/C(=N/NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccoc2C)cc1 ZINC000013108579 JH Annotated Reactive C[C@H]1C[C@H](C)CN(C(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)C1 ZINC000013115558 JH Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)N3CCOCC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013118575 JH Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCOCC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013118603 JH Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013118609 JH Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO ZINC000013118617 JH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H](C)C(=O)[C@@H]2C)c(OC)c1OC ZINC000013118920 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H](C)C(=O)[C@@H]2C)c(OC)c1OC ZINC000013118922 JH Annotated Anodyne COc1ccc([C@H]2N[C@H](c3ccc(OC)c(OC)c3OC)[C@@H](C)C(=O)[C@@H]2C)c(OC)c1OC ZINC000013118923 JH Annotated Anodyne COC1=CC(=CNNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C=C(OC)C1=O ZINC000013120166 JH Annotated Reactive Cc1ccc(CN2CCN(N/C=C3\C=C(Br)C=C(Br)C3=O)CC2)c(C)c1 ZINC000013121655 JH Annotated Mild Cc1ccc(CN2CCN(N/C=C3\C=C(Br)C=C(Br)C3=O)CC2)cc1 ZINC000013125596 JH Annotated Mild CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Br)cc2)NC(=O)N1CCCC(=O)O ZINC000013125815 JH Annotated Anodyne CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Br)cc2)NC(=O)N1CCCC(=O)O ZINC000013125816 JH Annotated Anodyne COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2c(C)nn(-c3ccc(Cl)cc3)c2O)cc1 ZINC000013126086 JH Annotated Mild CC(C)C(=O)Nc1ccc(C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1 ZINC000013126188 JH Annotated Reactive Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2c(n1/N=C\C1=CC(=O)C(=O)C=C1)Nc1ccccc1N2 ZINC000013127417 JH Annotated Mild Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2c(n1/N=C/C1=CC(=O)C(=O)C=C1)Nc1ccccc1N2 ZINC000013127418 JH Annotated Mild COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc(NS(C)(=O)=O)nn21 ZINC000013127490 JH Annotated Anodyne COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc(NS(C)(=O)=O)nn21 ZINC000013127491 JH Annotated Anodyne Cc1c(/N=C2\SCC(=O)N2/N=C/c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013132961 JH Annotated Mild C/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C\c1ccc(OC(F)F)c(OC)c1 ZINC000013135884 JH Annotated Mild C/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C/c1ccc(OC(F)F)c(OC)c1 ZINC000013135885 JH Annotated Anodyne CCOc1ccc(/C=N/N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1OC ZINC000013135894 JH Annotated Mild C=CCOc1ccc(/C=N/N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1 ZINC000013135914 JH Annotated Mild CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@@H](c1ccccc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000013138728 JH Annotated Clean CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@H](c1ccccc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000013138729 JH Annotated Clean CCCCNC(=S)N(C)/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC000013139367 JH Annotated Mild O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000013139857 JH Annotated Anodyne aggregator CN1C(=S)S[C@@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)C1(C)C ZINC000013143256 JH Annotated Anodyne CN1C(=S)S[C@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)C1(C)C ZINC000013143257 JH Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccccc1F ZINC000013147021 JH Annotated Mild Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1\s/c(=C/c2ccccn2)c(=O)n1-c1ccccc1F ZINC000013147022 JH Annotated Mild Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)Nc5ccc(F)cc5F)C4)nc32)cc1 ZINC000013150677 JH Annotated Anodyne Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)Nc5ccc(F)cc5F)C4)nc32)cc1 ZINC000013150678 JH Annotated Anodyne Clc1ccc(-c2ccc(/C=N\Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 ZINC000013151976 JH Annotated Mild O=C(O)c1ccccc1-c1ccc(/C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1 ZINC000013154738 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000013286695 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000013286697 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000013286699 JH Annotated Clean CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000013286701 JH Annotated Clean O=C(O[C@H]1CS(=O)(=O)C[C@H]1N(Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1 ZINC000013302522 JH Annotated Anodyne O=C(O[C@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1 ZINC000013302524 JH Annotated Anodyne O=C(O[C@@H]1CS(=O)(=O)C[C@H]1N(Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1 ZINC000013302527 JH Annotated Anodyne O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1 ZINC000013302530 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)CNC4=O)C1(C)C ZINC000013367783 JH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2ccc(OC)c(OC)c2-c2cc3c(cc2C[C@H]2C(=O)OC[C@H]12)OCO3 ZINC000013371928 JH Annotated Anodyne C=C(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1[C@](O)(C(=O)OC)CC2=O)C=CC(C)(C)O4 ZINC000013373210 JH Annotated Mild C=C(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1[C@@](O)(C(=O)OC)CC2=O)C=CC(C)(C)O4 ZINC000013373211 JH Annotated Mild CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2c(O)cc(O)c3c2[C@@H](C4)[C@](C)(CO)O3)O1 ZINC000013373217 JH Annotated Anodyne C/C(=C/Cc1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3)CO ZINC000013373235 JH Annotated Clean in-vitro OCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000013379251 JH Annotated Clean COc1cc(O)c2c(c1)CCc1c(O)cc3c(c1-2)O[C@@H](c1cc(OC)c(O)c(OC)c1)[C@@H]3CO ZINC000013380128 JH Annotated Anodyne in-vitro biogenic COc1cc(O)c2c(c1)CCc1c(O)cc3c(c1-2)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@H]3CO ZINC000013380129 JH Annotated Anodyne CC(=O)C[C@H]1c2c(ccc3c2OCO3)[C@@]2(C)[C@H](c3cc4c(cc3C[C@H]2OC(C)=O)OCO4)N1C ZINC000013380152 JH Annotated Anodyne C=C(C)[C@@H](O)Cc1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c(C(=O)CCC)c1O ZINC000013380624 JH Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c(C(=O)CCC)c1O ZINC000013380625 JH Annotated Mild COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2CO)cc(OC)c1O ZINC000013381014 JH Annotated Bother COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2CO)cc(OC)c1O ZINC000013381015 JH Annotated Bother COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc(OC)c1O ZINC000013381016 JH Annotated Bother COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc(OC)c1O ZINC000013381017 JH Annotated Bother CC1(C)Oc2c(c(O)c(C(=O)c3ccccc3)c3oc(=O)cc(-c4ccccc4)c23)[C@@H](O)[C@@H]1O ZINC000013382515 JH Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl ZINC000013386605 JH Annotated Reactive COc1c(Br)cc(Br)c(CCN(C)C[C@H](C)O)c1Br ZINC000013407379 JH Annotated Anodyne COc1c(Br)cc(Br)c(CCN(C)C[C@@H](C)O)c1Br ZINC000013407381 JH Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000013425082 JH Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000013425083 JH Annotated Anodyne CC1=CC(=O)[C@H](c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)[C@@H](c2ccc(O)c(O)c2)O1 ZINC000013432696 JH Annotated Mild COc1cc(/C=C/c2cc(O)c([C@H]3C(=O)C=C(C)O[C@@H]3c3ccc(O)c(O)c3)c(=O)o2)ccc1O ZINC000013432704 JH Annotated Mild COC1(c2cc(F)cc(OCc3cc(-c4ccc(Cl)cc4)n(S(N)(=O)=O)n3)c2)CCOCC1 ZINC000013439549 JH Annotated Anodyne CCN(CC)C(=O)Nc1sc2c(c1C(=O)c1c(OC)cccc1OC)CCN(C(C)=O)C2 ZINC000013442791 JH Annotated Anodyne CCOc1ccccc1COC(=O)N1CCN(Cc2cnc(C)n2Cc2ccc(C#N)cc2)CC1 ZINC000013444551 JH Annotated Mild COCc1ccccc1COC(=O)N1CCN(Cc2cnc(C)n2Cc2ccc(C#N)cc2)CC1 ZINC000013444554 JH Annotated Mild O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCO2 ZINC000013447904 JH Annotated Anodyne COc1ccc(C(=C2CCN(CCn3nc4n(c3=O)CCCC4)CC2)c2ccc(OC)cc2)cc1 ZINC000013447916 JH Annotated Anodyne O=c1nc2n(c(=O)n1CCN1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)CCCC2 ZINC000013447925 JH Annotated Anodyne O=c1nc2sccn2c(=O)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013447928 JH Annotated Anodyne CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(ccc(Cl)c13)C(=O)N2 ZINC000013450141 JH Annotated Anodyne CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(ccc(Cl)c13)C(N)=N2 ZINC000013450145 JH Annotated Anodyne CSc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)N5CCOCC5)cc4)c13)N=C2N ZINC000013450152 JH Annotated Anodyne Cc1cccc2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013454730 JH Annotated Anodyne CNC(=O)CN1CCc2c(c3c(O)cc([C@@H](C)CCCc4ccc(F)cc4)cc3oc2=O)C1 ZINC000013455719 JH Annotated Anodyne CNC(=O)CN1CCc2c(c3c(O)cc([C@H](C)CCCc4ccc(F)cc4)cc3oc2=O)C1 ZINC000013455722 JH Annotated Anodyne COc1ccc2c(c1)O[C@@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(OC)ccc3c2c1OC ZINC000013461103 JH Annotated Bother CN(c1ccccn1)S(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000013470488 JH Annotated Anodyne CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C(N)=O)cc2C(F)(F)F ZINC000013471162 JH Annotated Anodyne CCN(CC)CCN1C(=O)[C@](O)(c2ccc3ccccc3c2)c2c1cc(C(N)=O)cc2C(F)(F)F ZINC000013471165 JH Annotated Anodyne Cc1ccnc(NCCCCC(=O)NNC(=O)N[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013472612 JH Annotated Reactive Cc1ccnc(NCCCCC(=O)NNC(=O)N[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013472613 JH Annotated Reactive Cc1ccnc(NCCCCC(=O)NCC(=O)N[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013472614 JH Annotated Anodyne Cc1ccnc(NCCCCC(=O)NCC(=O)N[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013472615 JH Annotated Anodyne O=C(O)C[C@@H](NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000013472619 JH Annotated Anodyne O=C(O)C[C@H](NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000013472620 JH Annotated Anodyne CCCCCN1C[C@@H]2N(C(=O)OCCc3ccc(O)cc3)CCC(=O)N2[C@@H](Cc2ccccc2)C1=O ZINC000013472827 JH Annotated Anodyne CCCCn1c(=O)c2cn(S(=O)(=O)c3cc(Cl)c(Cl)s3)nc2n(CCCC)c1=O ZINC000013473887 JH Annotated Anodyne [N-]=[N+]=Nc1ccc(C(=O)OC[C@@H]2CNc3nc(N)[nH]c(=O)c3N2C(=O)c2ccc(N=[N+]=[N-])cc2)cc1 ZINC000013474437 JH Annotated Mild [N-]=[N+]=Nc1ccc(C(=O)OC[C@H]2CNc3nc(N)[nH]c(=O)c3N2C(=O)c2ccc(N=[N+]=[N-])cc2)cc1 ZINC000013474438 JH Annotated Mild Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1cccc(Br)c1 ZINC000013475466 JH Annotated Mild Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1ccc(Br)cc1 ZINC000013475467 JH Annotated Mild O=C(NCCc1cccs1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000013478399 JH Annotated Bother C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478794 JH Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478796 JH Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478865 JH Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478867 JH Annotated Anodyne O=C(OCC#Cc1c(COC(=O)c2ccccc2)nnn1Cc1ccccc1)c1ccccc1 ZINC000013479044 JH Annotated Mild COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2c(C)nn(-c3ccc(C)c(C)c3)c2O)cc1 ZINC000013483056 JH Annotated Mild CN(C)CCn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3ccccc3F)nc21 ZINC000013488585 JH Annotated Anodyne O=C(O)C[C@H](NC(=O)Cc1ccc(CCc2ccc3c(n2)NCCC3)s1)c1cccnc1 ZINC000013489937 JH Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccc(-c3ccccc3)cc1)C2 ZINC000013491486 JH Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cnccc2o1 ZINC000013493279 JH Annotated Anodyne CC(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501364 JH Annotated Anodyne CC(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501365 JH Annotated Anodyne Cn1c(O)c(/N=N\C(S)=N\c2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000013520648 JH Annotated Mild O=C1C[C@@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccc[n+]([O-])c1 ZINC000013521528 JH Annotated Bother O=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccccc1I ZINC000013521962 JH Annotated Anodyne CCCn1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)c(Cl)cc1S ZINC000013533018 JH Annotated Anodyne CCCCn1cnnc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S ZINC000013533031 JH Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CNCc2nc[nH]c2C)cc1-c1ccccc1C)C(=O)O ZINC000013533246 JH Annotated Anodyne COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCN3CCC[C@H]3CO)c2c1)C(=O)NC4=O ZINC000013535076 JH Annotated Bother Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(C(N)=O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535117 JH Annotated Bother Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535126 JH Annotated Bother Cn1ccc2ccc3c4[nH]c5c(CCN6CCC[C@H]6CO)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535131 JH Annotated Bother Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535137 JH Annotated Bother Cc1ccc(C(=O)N[C@@H](C)CN2C3=NC[C@H](C)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000013545595 JH Annotated Anodyne Cc1ccc(C(=O)NCCN2C3=NC[C@H](C(C)C)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000013545629 JH Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000013545631 JH Annotated Anodyne Cc1cccc(CCN2C3=NC[C@H](Cc4ccc(O)cc4)N3C[C@@H]2CCCNC(=O)C2CCC2)c1 ZINC000013545659 JH Annotated Anodyne NCCCCCN(CCCCCN)Cc1ccc(CN(CCCCCN)CCCCCN)cc1 ZINC000013553209 JH Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCC3CC3)c2=O)c1 ZINC000013553292 JH Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCC3CC3)c2=O)c1 ZINC000013553293 JH Annotated Anodyne O=C(Nc1ccccc1Cl)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553642 JH Annotated Bother O=C(Nc1cccc(Cl)c1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553643 JH Annotated Bother O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553644 JH Annotated Bother CCN(CC)CCC(=O)Nc1ccc(NC(=O)CCN(CC)CC)c2c1C(=O)c1ccccc1C2=O ZINC000013556198 JH Annotated Clean C[C@@H](NC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C)c1ccccc1 ZINC000013557187 JH Annotated Anodyne C[C@H](NC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C)c1ccccc1 ZINC000013557188 JH Annotated Anodyne O=C1c2cccc(Sc3nccc(O)n3)c2C(=O)c2cccc(Sc3nccc(O)n3)c21 ZINC000013558875 JH Annotated Clean COC(=O)c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 ZINC000013559653 JH Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCCCCCC(=O)N1 ZINC000013559802 JH Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCCC/C(S)=N/1 ZINC000013559807 JH Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000013559813 JH Annotated Anodyne CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000013572127 JH Annotated Mild CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013572133 JH Annotated Mild NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc32)cn1 ZINC000013580949 JH Annotated Anodyne Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1 ZINC000013580957 JH Annotated Anodyne CN[C@H](C(=O)N[C@@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000013582972 JH Annotated Anodyne CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000013582974 JH Annotated Anodyne Cn1c(=O)[nH]c2c(Br)c(Br)c(Br)c(Br)c21 ZINC000013585906 JH Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(N2CCCN(C)CC2)n1 ZINC000013586060 JH Annotated Anodyne COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(I)c1OC ZINC000013586112 JH Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(I)c1OC ZINC000013586113 JH Annotated Reactive O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)OCCCS)[C@@H]1COc2ccccc2O1 ZINC000013586966 JH Annotated Mild O=C(OCCCS)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000013586967 JH Annotated Mild O=C(OCCCS)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000013586968 JH Annotated Mild O=C(OCCCS)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000013586969 JH Annotated Mild NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(C(=O)Nc2ccc3ccccc3c2)co1 ZINC000013587019 JH Annotated Anodyne CN1CC(=O)N([C@@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000013587501 JH Annotated Bother CN1CC(=O)N([C@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000013587502 JH Annotated Bother O=C1CCNC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587503 JH Annotated Bother O=C1CCNC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587504 JH Annotated Bother COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(C)cc3c2C)c(S(C)(=O)=O)c1 ZINC000013587575 JH Annotated Anodyne Cc1nn(C)c2ncc(C(N)=O)c(Nc3cccc(O[C@H]4CCN(C(=O)OC(C)(C)C)C4)c3)c12 ZINC000013588208 JH Annotated Anodyne Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cc(O)c(CN3CCCCC3)cc2C1=O ZINC000013588623 JH Annotated Clean Cc1nn(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12 ZINC000013588969 JH Annotated Bother N#Cc1ccc(Cn2cncc2CN[C@H]2Cc3ccccc3CN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000013589499 JH Annotated Mild N#Cc1ccc(Cn2cncc2CN[C@@H]2Cc3ccccc3CN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000013589500 JH Annotated Mild C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013590023 JH Annotated Mild CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(c2ccccc2)C5)CC1 ZINC000013600102 JH Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(Cc2ccccc2)C5)CC1 ZINC000013600104 JH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2c1C1=CCN(C)CC1 ZINC000013605941 JH Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000013634619 JH Annotated Mild CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2ccccc2)[C@H]1CCCO ZINC000013634642 JH Annotated Anodyne O=C(C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634645 JH Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO ZINC000013634648 JH Annotated Anodyne O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634667 JH Annotated Anodyne O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634685 JH Annotated Anodyne O=C(C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634738 JH Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000013634766 JH Annotated Mild O=C(C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634769 JH Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@H](OCCCCO)C2)cc1 ZINC000013634782 JH Annotated Mild CN1CCN(C(=O)C2=C[C@@H](c3ccc(C(F)(F)F)cc3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013634982 JH Annotated Anodyne CCN(CC(=O)NC(C)(C)C)Cc1nc(O)c2cc(Br)cc(Br)c2n1 ZINC000013637583 JH Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(C4CCNCC4)nc3-c3ccccc3)cc21 ZINC000013641300 JH Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(C=O)c3)c(F)c2)C(=O)O1 ZINC000013648799 JH Annotated Anodyne COC(=O)c1cccc(/C(Br)=C/c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000013648801 JH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(CO)c3)c(F)c2)C(=O)O1 ZINC000013648803 JH Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)=C1c1ccc(OC)cc1 ZINC000013648861 JH Annotated Bother CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)=C1c1ccc(OC)cc1 ZINC000013648863 JH Annotated Bother CCNC[C@@H]1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000013649758 JH Annotated Anodyne CCNC[C@H]1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000013649759 JH Annotated Anodyne CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000013650003 JH Annotated Clean CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)cc1 ZINC000013650004 JH Annotated Clean CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000013650005 JH Annotated Clean CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000013650006 JH Annotated Clean CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650012 JH Annotated Anodyne CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl ZINC000013650288 JH Annotated Anodyne COc1ccc(-n2c3c(c4cc(OC)c(OC)cc4c2=O)C(=O)c2cc4c(cc2-3)OCO4)cc1 ZINC000013652363 JH Annotated Clean C#CCNC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656460 JH Annotated Mild C#CCNC(=O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656570 JH Annotated Mild O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656768 JH Annotated Anodyne O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656776 JH Annotated Anodyne O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656780 JH Annotated Anodyne O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656817 JH Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3ccc(C(F)(F)F)cc3)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656868 JH Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)NCc3nc4ccccc4[nH]3)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000013656987 JH Annotated Mild CO[P@]1(=O)C=C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000013659975 JH Annotated Bother CO[P@@]1(=O)C=C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000013659977 JH Annotated Bother CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660517 JH Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660520 JH Annotated Anodyne CCN1c2ncc(CCOc3ccc(C(=O)O)cc3C)cc2C(=O)N(C)c2ccc(F)nc21 ZINC000013671802 JH Annotated Anodyne CCN1c2ncc(CCOc3ccc(C(=O)O)cc3C)cc2C(=O)N(C)c2ccc(OC)nc21 ZINC000013671803 JH Annotated Anodyne CC(C)(C)c1ccc(C/N=C(\S)NCc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000013672868 JH Annotated Mild COc1ccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000013675752 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000013675754 JH Annotated Anodyne O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000013675760 JH Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(O)c(O)c1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013677603 JH Annotated Clean Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(O)c(O)c1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013677605 JH Annotated Clean COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)cn1 ZINC000013679726 JH Annotated Mild CC(C)C(=O)N(CCCCc1nnn[nH]1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682579 JH Annotated Anodyne COCCN1C=C2C(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687525 JH Annotated Mild COCCN1C=C2C(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687530 JH Annotated Mild COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CS[C@H](c4cccnc4)N3)c2)cc(OC)c1OC ZINC000013737572 JH Annotated Anodyne O=C1c2ccc(C(F)(F)F)cc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F ZINC000013737591 JH Annotated Anodyne O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000013737756 JH Annotated Clean O=C(O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)/C=C/c1ccccc1 ZINC000013738125 JH Annotated Anodyne CN(CCOCCNC(=S)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)Cc1ccccc1 ZINC000013742421 JH Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)CC1)C2=O ZINC000013744351 JH Annotated Mild COc1ccccc1C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2OC)N(CC2CC2)C(=O)N1CC1CC1 ZINC000013756084 JH Annotated Anodyne COc1ccc2c(O)c([C@@H](c3cccc(NS(=O)(=O)c4cn(C)cn4)c3)C3CC3)c(=O)oc2c1 ZINC000013756553 JH Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccc(OC)c(OC)c3)CC2=O)CC1 ZINC000013758141 JH Annotated Mild C#CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O ZINC000013758609 JH Annotated Mild CNC(=O)Nc1ccc2[nH]c(C(=O)N3CCC(N(C)c4ncccc4NC(C)C)CC3)cc2c1 ZINC000013758739 JH Annotated Anodyne CN(c1ncccc1NC1(C)CC1)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758751 JH Annotated Anodyne CCN(c1ncccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758754 JH Annotated Anodyne CCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)CC)ccc3[nH]2)CC1 ZINC000013758771 JH Annotated Anodyne CCCN(c1ncccc1NCC)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758776 JH Annotated Anodyne CCNc1cccnc1N(C(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758779 JH Annotated Anodyne CCCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758782 JH Annotated Anodyne CC(=O)/C=C1/C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@H]12 ZINC000013765853 JH Annotated Mild CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/C#N)[C@H]2SC1 ZINC000013765883 JH Annotated Reactive O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3c(Cl)ccnc32)CC1 ZINC000013778927 JH Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3c(Cl)ccnc32)CC1 ZINC000013778928 JH Annotated Anodyne C[C@@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 ZINC000013779250 JH Annotated Reactive C[C@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 ZINC000013779251 JH Annotated Reactive C[C@@H](NC(=O)C(=O)N/N=C1\C[C@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 ZINC000013779252 JH Annotated Reactive C[C@H](NC(=O)C(=O)N/N=C1\C[C@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 ZINC000013779253 JH Annotated Reactive N#CN=C1N(CC2CCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCC1 ZINC000013779355 JH Annotated Mild CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])CCc1cc(O)c(O)c(O)c1-2 ZINC000013779618 JH Annotated Clean CCN1c2ncc(CCc3ccnc(C(=O)OC)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780559 JH Annotated Anodyne CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780578 JH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013782321 JH Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(Br)cc2)C=C[C@@H]1OC(=O)OCC ZINC000013783116 JH Annotated Mild CCOC(=O)OC[C@H]1O[C@H](C#Cc2ccc(Br)cc2)C=C[C@@H]1OC(=O)OCC ZINC000013783117 JH Annotated Mild COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4ncc5ccccc5c4=O)c3)c2cc1OC ZINC000013795882 JH Annotated Anodyne COC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000013797274 JH Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N/CC3CC3)OC(=O)N2C1=O ZINC000013812876 JH Annotated Mild CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 ZINC000013813370 JH Annotated Anodyne CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813373 JH Annotated Anodyne CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1 ZINC000013813376 JH Annotated Anodyne CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1CCc1ccccc1 ZINC000013813388 JH Annotated Anodyne CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1 ZINC000013813406 JH Annotated Anodyne CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813443 JH Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@@H](CCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000013813735 JH Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@H](CCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000013813740 JH Annotated Anodyne CCOC(=O)[C@H]1C(C(=O)OC)=C(C2=CCCCC2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814347 JH Annotated Anodyne CCOC(=O)[C@@H]1C(C(=O)OC)=C(C2=CCCCC2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814349 JH Annotated Anodyne CCCCCC1=C(C(=O)OC)[C@@H](C(=O)OCC)N(S(=O)(=O)C(F)(F)F)c2ccccc21 ZINC000013814382 JH Annotated Anodyne CCCCCC1=C(C(=O)OC)[C@H](C(=O)OCC)N(S(=O)(=O)C(F)(F)F)c2ccccc21 ZINC000013814385 JH Annotated Anodyne CCOC(=O)[C@H]1C(C(C)=O)=C(c2ccccc2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814806 JH Annotated Mild CCOC(=O)[C@@H]1C(C(C)=O)=C(c2ccccc2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814809 JH Annotated Mild COc1cc([C@@H](CCN2CCOCC2)c2c(OC)cc(OC)c3ccc(=O)oc23)cc(OC)c1OC ZINC000013814824 JH Annotated Anodyne COc1cc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3ccc(=O)oc23)cc(OC)c1OC ZINC000013814827 JH Annotated Anodyne N#Cc1cccc(CS(=O)(=O)c2nnnn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013815230 JH Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815479 JH Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815482 JH Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000013815509 JH Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000013815512 JH Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000013815646 JH Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000013815649 JH Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CC1CC1 ZINC000013816657 JH Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CC1CC1 ZINC000013816660 JH Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1Cc1ccco1 ZINC000013816689 JH Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1Cc1ccco1 ZINC000013816692 JH Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CC(C)C ZINC000013816747 JH Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CC(C)C ZINC000013816751 JH Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CCCC1 ZINC000013816822 JH Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CCCC1 ZINC000013816825 JH Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CC(C)C ZINC000013816878 JH Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CC(C)C ZINC000013816882 JH Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1Cc1ccco1 ZINC000013816885 JH Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1Cc1ccco1 ZINC000013816887 JH Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(CCc3c[nH]c4ccccc34)C=C2C1=O ZINC000013817208 JH Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(CCc3c[nH]c4ccccc34)C=C2C1=O ZINC000013817212 JH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccc(OC(=O)OC)cc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817220 JH Annotated Mild C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc2c(c1)OCCN2C)CC3 ZINC000013817408 JH Annotated Anodyne CCOC(=O)CCCNC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817515 JH Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817547 JH Annotated Anodyne C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc(C#N)cc1)CC3 ZINC000013817577 JH Annotated Mild CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)c1ccc(Cl)c3nonc13)CC2 ZINC000013817610 JH Annotated Anodyne COC(=O)C[C@H]1c2ccccc2C2=C(C[C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000013817692 JH Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1C1=C[C@@]2(CCCN[C@H]2c2ccccc2)OC1 ZINC000013818506 JH Annotated Anodyne CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CC(N)=O)c2nc3ccccc3nc21 ZINC000013822023 JH Annotated Mild COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013830719 JH Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013830721 JH Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013830723 JH Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013830725 JH Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@@H]2CCCNC2)CC1 ZINC000013836726 JH Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@H]2CCCNC2)CC1 ZINC000013836727 JH Annotated Anodyne O=C(CCCCc1nc2c(cc1C1CC1)CCCN2)NC[C@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860636 JH Annotated Anodyne O=C(CCCCc1nc2c(cc1C1CC1)CCCN2)NC[C@@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860637 JH Annotated Anodyne CN(C[C@@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CC[C@@H]1CCc2cc3c(nc2C1)NCCC3 ZINC000013860644 JH Annotated Anodyne CN(C[C@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CC[C@@H]1CCc2cc3c(nc2C1)NCCC3 ZINC000013860645 JH Annotated Anodyne CN(C[C@@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CC[C@H]1CCc2cc3c(nc2C1)NCCC3 ZINC000013860646 JH Annotated Anodyne CN(C[C@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CC[C@H]1CCc2cc3c(nc2C1)NCCC3 ZINC000013860647 JH Annotated Anodyne O=c1c2cccn2c2ccc(F)cc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861545 JH Annotated Anodyne O=c1c2cccn2c2c(F)cccc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861546 JH Annotated Anodyne O=c1c2cccn2c2c(F)cc(F)cc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861547 JH Annotated Anodyne O=c1c2cccn2c2cccc(F)c2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861555 JH Annotated Anodyne CC(C)(NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(Cl)cc2)CS1 ZINC000013864150 JH Annotated Mild O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)N(CCO)c3ccnn3-c3ccccc3)cc2)c1 ZINC000013864530 JH Annotated Bother O=C([C@H]1COc2cc(O)ccc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864772 JH Annotated Anodyne O=C([C@@H]1COc2cc(O)ccc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864773 JH Annotated Anodyne O=C([C@@H]1COc2ccc(O)cc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864774 JH Annotated Anodyne O=C([C@H]1COc2ccc(O)cc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864775 JH Annotated Anodyne Cc1sc2nc(COC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)[nH]c(=O)c2c1C ZINC000013865696 JH Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878866 JH Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878867 JH Annotated Bother NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000013878914 JH Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000013878915 JH Annotated Bother CCCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878940 JH Annotated Bother CCCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878941 JH Annotated Bother C=C1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000013887045 JH Annotated Mild CC[C@@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890084 JH Annotated Bother in-vitro CC[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890085 JH Annotated Bother in-vitro CC[C@@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890086 JH Annotated Bother in-vitro CC[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890087 JH Annotated Bother in-vitro O=C(NNC(=O)C(F)(F)[C@@H](O)c1ccncc1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000013903059 JH Annotated Reactive C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)[C@H](O)C/C=C(\C)CC[C@H]12)OC(C)=O ZINC000013910024 JH Annotated Mild O=C(O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000013975802 JH Annotated Anodyne COc1ccc([C@@H](CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)cn1 ZINC000013975807 JH Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCO2 ZINC000013976937 JH Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000013981132 JH Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CCN(C)C4)C3)s2)cc1 ZINC000013981372 JH Annotated Anodyne CCCn1c(CNc2cccc(C(=O)NCc3c(F)cccc3F)c2)nnc1-c1ccncn1 ZINC000013984048 JH Annotated Anodyne C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000135664785 JH Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000135812544 JH Annotated Mild Cc1nnc2nc(SCC(=O)N3CCC(C)CC3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000135916985 JH Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)[C@]2(O)[C@@H](OC(C)=O)Cc3c(cc4occc4c3C)[C@@]2(C)[C@H]1OC(C)=O ZINC000136134218 JH Annotated Anodyne CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]31C ZINC000136145743 JH Annotated Anodyne CO[C@H]1CN(c2nc3cccc(C(=O)O)c3s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000136326682 JH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N1)CC2 ZINC000136352398 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000136388504 JH Annotated Anodyne C=C[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C=C4C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3[C@H](O)C[C@@]21C ZINC000136459107 JH Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000136462850 JH Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1 ZINC000136483570 JH Annotated Anodyne CC(=O)Oc1c(O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(C)c2c3c1[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H]2C=C(C)C ZINC000136484433 JH Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000136487701 JH Annotated Anodyne Cc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nnc(C)c-3c2N)cc1Cl ZINC000136613580 JH Annotated Anodyne COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1CN(C)c1c(F)cccc1F ZINC000137020261 JH Annotated Anodyne CCCCC[C@@H]1C/C=C(\C)[C@@H](O)C(C)(C)C(=O)[C@@H](C)/C=C(\C)[C@@H]2C[C@H](O)C[C@](O)(CC(=O)O1)O2 ZINC000137276671 JH Annotated Anodyne Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1cncnc1 ZINC000137422204 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)C[C@@H]3O[C@@]34[C@@H]3CC=C5CC=CC(=O)[C@]5(C)[C@H]3CC[C@@]42C)C1 ZINC000137542724 JH Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000137584563 JH Annotated Mild CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C=C[C@@H](O)C(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137623483 JH Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(O)C=C[C@@H](O)C(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137623653 JH Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000137679135 JH Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000137679307 JH Annotated Mild N#Cc1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000137767277 JH Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000137800340 JH Annotated Bother CC[C@@H](C)/C=C/C=C/C(O)=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C[C@H](C)O)OC=C3[C@@H]12 ZINC000137821958 JH Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]12C ZINC000137843537 JH Annotated Anodyne CN1CCN(Cc2cnc(NC(=O)c3ccc(-c4cncc5ccccc45)c4nccnc34)[nH]2)CC1 ZINC000137871020 JH Annotated Anodyne CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000137921973 JH Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(c2nn[nH]n2)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000137951918 JH Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(c2nn[nH]n2)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000137952011 JH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N1)CC2 ZINC000138074431 JH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C(c4ccc(OS(N)(=O)=O)cc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000138120571 JH Annotated Mild C[C@]12C=CC(=O)C=C1C(c1ccc(OS(N)(=O)=O)cc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000138120692 JH Annotated Mild CCO[C@@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 ZINC000138157336 JH Annotated Anodyne COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCCCC2)c1 ZINC000138161695 JH Annotated Anodyne COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1 ZINC000138161933 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000138204645 JH Annotated Anodyne COc1ccc(CC2CCN(C)CC2)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1 ZINC000138220411 JH Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000138391199 JH Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000138391324 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CCCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138566345 JH Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]2(C)CC[C@H]2[C@@](C)(CO)CCC[C@]32C)[C@@H]2O[C@H]3OC(=O)C[C@@]31O2 ZINC000138660039 JH Annotated Anodyne CCO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 ZINC000138663581 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000138669011 JH Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000138669372 JH Annotated Anodyne 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)CCl ZINC000139137952 JH Annotated Reactive CCCNCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000139187689 JH Annotated Anodyne CCC(=O)N[C@H](C[C@H](C)C(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)C(Cl)Cl ZINC000139292038 JH Annotated Reactive C1=N\CCN2CCN(CC/N=C/c3ccc(cc3)OCc3cccc(n3)COc3ccc/1cc3)CC2 ZINC000139297778 JH Annotated Anodyne C1=N\CCN2CCN(CC/N=C/c3ccccc3OCc3cccc(n3)COc3ccccc3/1)CC2 ZINC000139298099 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C[C@@H]2C1 ZINC000139359327 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C[C@@H]2C1 ZINC000139359448 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C[C@H]2C1 ZINC000139359564 JH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000139434570 JH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000139434684 JH Annotated Anodyne COCc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc(N)n1 ZINC000139500523 JH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CNC5)c4)ccn23)c1 ZINC000139511833 JH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(NCCO)nn4)ccn23)c1 ZINC000139521703 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000139618381 JH Annotated Anodyne N#Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N ZINC000139634221 JH Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncc(C(=O)O)cn4)ccn23)c1 ZINC000139680874 JH Annotated Anodyne CC(=O)C[C@@H]1CC(=O)[C@H](O)CC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C1=O ZINC000139726300 JH Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)COC(=O)Nc1ccc2[nH]ccc2c1 ZINC000139751786 JH Annotated Anodyne C=C1C[C@@H](O)/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 ZINC000139772216 JH Annotated Mild CC1=C[C@H]([C@@H](C)c2ccc3c(c2)CC[C@H]2[C@H]3C[C@@H]3O[C@@]34CC=CC(=O)[C@]24C)O[C@H](O)[C@]1(C)O ZINC000139832925 JH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)Oc4c(c(O)cc5c4CN(CCO)C5=O)C[C@@H]32)C1(C)C ZINC000139863779 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000139912517 JH Annotated Anodyne C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](OC(C)=O)[C@@]5([C@@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(C)=O)[C@@H]1OC(C)=O ZINC000139931333 JH Annotated Mild C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@@H](CC(=O)O)C(=O)O ZINC000139980563 JH Annotated Mild C=C[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 ZINC000014128325 JH Annotated Mild COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c2ccccc12 ZINC000014175536 JH Annotated Anodyne CC[C@H]1[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)CO)OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@H]1O ZINC000014176394 JH Annotated Anodyne Cn1c([N+](=O)[O-])cnc1COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl ZINC000014279241 JH Annotated Reactive CC(C)=CCC/C(=C/CC[C@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@@H](O)[C@H]2[C@H]1CC[C@@]2(C)O)C(=O)O ZINC000014299853 JH Annotated Mild CC(C)=CCC/C(=C/CC[C@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@@H](O)[C@H]2[C@H]1CC[C@]2(C)O)C(=O)O ZINC000014299854 JH Annotated Mild CC(C)=CCC/C(=C/CC[C@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@H](O)[C@H]2[C@H]1CC[C@@]2(C)O)C(=O)O ZINC000014299855 JH Annotated Mild CC(C)=CCC/C(=C/CC[C@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@H](O)[C@H]2[C@H]1CC[C@]2(C)O)C(=O)O ZINC000014299856 JH Annotated Mild CCCCCc1cccc(O)c1C1=N[C@@H]([C@@H]2SC[C@@H]([C@@H](O)C(C)(C)C(=O)O)N2C)CS1 ZINC000014415509 JH Annotated Anodyne in-vitro C[C@]1(OC(=O)COc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000140054441 JH Annotated Reactive C[C@@]1(OC(=O)COc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000140054585 JH Annotated Reactive C[C@]1(OC(=O)COc2ccccc2)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000140054748 JH Annotated Reactive C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)OC(=O)COc1ccccc1 ZINC000140054901 JH Annotated Reactive C[C@@]12O[C@@H]1CC[C@H]1[C@@]2(C)[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]1(C)/C=C/C1=CC(=O)OC1 ZINC000140127401 JH Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000140195772 JH Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@]5(C)O[C@H]5C[C@@H](OC(C)=O)[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000140260502 JH Annotated Anodyne CC/C=C\C/C=C\C[C@]1(O)C=C(Cl)C(=O)/C1=C/[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000140267048 JH Annotated Mild CC(=O)Nc1ccc(N(C(=O)Cn2ccnc2C)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140321867 JH Annotated Anodyne CC(=O)Nc1ccc(N(C(=O)Cn2ccnc2C)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140322029 JH Annotated Anodyne C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@H](CC(=O)O)C(=O)O ZINC000140367882 JH Annotated Mild Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 ZINC000140381714 JH Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](N)CC2 ZINC000140428326 JH Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2 ZINC000140428476 JH Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000140436254 JH Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000140436442 JH Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@H](C)[C@]3(C)C[C@H](/C(C)=C/C=C/C(C)(C)O)CC[C@@H]23)OC[C@@H](O)[C@H]1O ZINC000140454179 JH Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC1(O)CC(F)(F)C1 ZINC000140506261 JH Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@H](O)C1CC1 ZINC000140548795 JH Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@@H](O)C1CC1 ZINC000140548982 JH Annotated Anodyne CO[C@H]1CC[C@@](C)(OC(C)=O)[C@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O ZINC000140549556 JH Annotated Anodyne O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 ZINC000140575294 JH Annotated Anodyne CC(=O)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]1(O)[C@]1(C)[C@H](O)C[C@H](Br)C1(C)C ZINC000140698933 JH Annotated Reactive COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1 ZINC000140920694 JH Annotated Anodyne in-vitro C=C1[C@@H](OC(C)=O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000140987180 JH Annotated Mild CCOc1cccc2c1S(=O)(=O)N/C2=C1\C(=O)[C@H](c2cccs2)N(CCC(C)(C)C)C1=O ZINC000141003856 JH Annotated Mild Cc1ccc(S(=O)(=O)N=[S@](C)(=O)c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 ZINC000141016814 JH Annotated Bother C/C=C(\C)C(=O)O[C@H]1/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@@H](OC(=O)[C@H](C)[C@H](C)OC(C)=O)[C@@H](C(C)C)[C@@H]1O ZINC000141115352 JH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC3CCC3)cc1[C@@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000141157694 JH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC3CCC3)cc1[C@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000141157856 JH Annotated Anodyne CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC(Nc2ccccc2)CC1 ZINC000141160645 JH Annotated Anodyne Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@@H]3CCCC[C@H]3N=C(N)N)c2c1 ZINC000141221656 JH Annotated Mild CC(C)[C@H]1CN(CCN2CCCC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000141222097 JH Annotated Anodyne CCN1CCC(N2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nc[nH]n6)cc5)c4n3)C2=O)CC1 ZINC000141223645 JH Annotated Anodyne CCN1CCC[C@@H]1CN1C[C@H](C(C)C)N(c2ccn3ncc(-c4ccc(-c5nc[nH]n5)cc4)c3n2)C1=O ZINC000141223855 JH Annotated Anodyne COC(=O)[C@@H]1CCCC[C@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000141257486 JH Annotated Reactive COC(=O)[C@@H]1CCCC[C@@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000141257695 JH Annotated Reactive Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000141328675 JH Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000141370484 JH Annotated Mild CO[C@@]12C[C@@H]3c4c(O)cccc4[C@H](O)C[C@H]3[C@@H]3CC[C@@](O)([C@H](C)[C@@H]([C@H]4OC(=O)C(C)=C4C)O1)[C@]32C ZINC000141486581 JH Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)c1ccc(Br)cc1)C2 ZINC000141502754 JH Annotated Anodyne O=S(=O)(c1ccccc1)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1O ZINC000141763282 JH Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(S(=O)(=O)NCC#N)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000141809357 JH Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(S(=O)(=O)NCC#N)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000141809548 JH Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)NCCO)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141824262 JH Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)NCCO)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141824469 JH Annotated Anodyne COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cnc1OC ZINC000141870507 JH Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000141910433 JH Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000141910645 JH Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1 ZINC000141913131 JH Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OCC1CCOCC1 ZINC000141944348 JH Annotated Anodyne COc1cc(F)c(CN2C(=O)N(c3cc(OC)nc(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1 ZINC000141989502 JH Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2[C@@H]1Cc1cc(F)cc(F)c1 ZINC000142017460 JH Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2[C@@H]1Cc1cc(F)cc(F)c1 ZINC000142017677 JH Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2[C@H]1Cc1cc(F)cc(F)c1 ZINC000142017887 JH Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2[C@H]1Cc1cc(F)cc(F)c1 ZINC000142018093 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C[C@@H](N)[C@@H]1O ZINC000142057232 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)[C@@H](C)C3)cc2)n1 ZINC000142060473 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCC[C@@H]4C3)cc2)n1 ZINC000142060723 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)n1 ZINC000142062141 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@H](C)N[C@@H](C)C3)cc2)n1 ZINC000142062323 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@@H](C)N[C@H](C)C3)cc2)n1 ZINC000142062502 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@@H]4CC[C@H](C3)N4C)cc2)n1 ZINC000142064232 JH Annotated Anodyne O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 ZINC000142083185 JH Annotated Anodyne O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 ZINC000142083411 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNC4(CC4)C3)cc2)n1 ZINC000142090906 JH Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CC(F)C3)cc2C2CC2)CCC(F)(F)CC1 ZINC000142306179 JH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cc(F)cc(Cl)c1 ZINC000142483619 JH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cc(F)cc(Cl)c1 ZINC000142483819 JH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cc(F)cc(Cl)c1 ZINC000142484027 JH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cc(F)cc(Cl)c1 ZINC000142484236 JH Annotated Anodyne Cn1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@H](N2CCC2)CC3)c1 ZINC000142540305 JH Annotated Anodyne Cn1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@@H](N2CCC2)CC3)c1 ZINC000142540491 JH Annotated Anodyne Cn1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@H](N2CCC2)CC3)c1 ZINC000142540692 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000142550195 JH Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)nc1SC1CCCC1 ZINC000142623909 JH Annotated Anodyne C[C@@H](c1cc(O)c2c(c1)CC[C@@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000142765760 JH Annotated Mild CC1=CC[C@H](C(C)C)[C@H]2/C=C(/CO)[C@@]3(O)C=C[C@](C)(O3)[C@@H](OC(=O)/C=C/c3cn(C)cn3)C[C@@H]12 ZINC000142775629 JH Annotated Anodyne COc1ccc(N2CCC[C@H]2C(=O)N/C(N)=N/Cc2cc(Cl)c(NC(C)=O)c(Cl)c2)cc1 ZINC000142834359 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(F)c(Cl)c1)[C@H](N)CC2 ZINC000142872934 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(F)c(Cl)c1)[C@@H](N)CC2 ZINC000142873112 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(F)c(Cl)c1)[C@H](N)CC2 ZINC000142873313 JH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(F)c(Cl)c1)[C@@H](N)CC2 ZINC000142873517 JH Annotated Anodyne CCn1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C3=CC(C)(C)NC(C)(C)C3)nc21 ZINC000142957424 JH Annotated Anodyne CN(C)CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 ZINC000142986609 JH Annotated Anodyne COc1c(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc(N2CCCC2)cc1[C@@H](O)C(F)(F)F ZINC000143034359 JH Annotated Clean COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(OC(F)F)c2)CC3)n1 ZINC000143061936 JH Annotated Anodyne COc1cc([C@@H]2c3c(O)cc(O)cc3[C@@H]3[C@H]2CO[C@H]3c2cc(O)c(O)c(O)c2)cc(OC)c1O ZINC000143142574 JH Annotated Clean CCn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)cn1 ZINC000143180050 JH Annotated Anodyne CCn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)cn1 ZINC000143180279 JH Annotated Anodyne CCn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)cn1 ZINC000143180457 JH Annotated Anodyne CCn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)cn1 ZINC000143180665 JH Annotated Anodyne COc1cc(OCc2nc(N3CCOCC3)oc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143240662 JH Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)C1 ZINC000143254125 JH Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)C1 ZINC000143254343 JH Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)C1 ZINC000143254562 JH Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)C1 ZINC000143254781 JH Annotated Anodyne Cn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000143427440 JH Annotated Anodyne Cn1cc(-c2cc(OCCN3CCCC3=O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143439744 JH Annotated Anodyne Cn1cc(-c2cc(OCCN3CCCC3=O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143439954 JH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CCC(F)(F)F)cc2[C@@H]1Cc1ccccc1 ZINC000143483729 JH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CCC(F)(F)F)cc2[C@@H]1Cc1ccccc1 ZINC000143483942 JH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CCC(F)(F)F)cc2[C@H]1Cc1ccccc1 ZINC000143484163 JH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CCC(F)(F)F)cc2[C@H]1Cc1ccccc1 ZINC000143484367 JH Annotated Anodyne O=C(O)CCCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143503001 JH Annotated Anodyne O=C(O)CCCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143503200 JH Annotated Anodyne CCOc1cc2ncnc(Nc3cc(S(=O)(=O)NC)ccc3OCC(F)(F)F)c2cc1OC ZINC000143531073 JH Annotated Anodyne C=C1[C@H](O)C/C=C(\C)CC[C@@H]2C([C@H](C/C=C(\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000143535262 JH Annotated Mild CC(C)(O)Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000143597492 JH Annotated Anodyne O=C1[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3Cl)C[C@H]2CN1c1ccc(OC(F)(F)F)cc1 ZINC000143650366 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(COCC(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000143688964 JH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccc(F)cc2)n1 ZINC000143690274 JH Annotated Anodyne CNC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143725044 JH Annotated Mild CNC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143725246 JH Annotated Mild O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000143725538 JH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2cccc(F)c2)n1 ZINC000143744203 JH Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1 ZINC000143812349 JH Annotated Anodyne C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000143832237 JH Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCS(=O)(=O)CC4)c3)n[nH]c2C1 ZINC000143836070 JH Annotated Anodyne C[C@H]1CN(Cc2cn[nH]c2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000143868976 JH Annotated Anodyne C[C@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000313 JH Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000144000528 JH Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2N1 ZINC000144016088 JH Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CN(CCF)C4)c3)n[nH]c2C1 ZINC000144025576 JH Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@@H](c4ccccc4)C4CN(CCF)C4)c3)n[nH]c2C1 ZINC000144025787 JH Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3[C@H]4C[C@H]3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1 ZINC000144035834 JH Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3[C@H]4CC[C@H]3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1 ZINC000144036781 JH Annotated Anodyne CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1 ZINC000144048341 JH Annotated Anodyne CCS(=O)(=O)[C@@H](C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccccc3)cc2s1 ZINC000144059872 JH Annotated Anodyne CCS(=O)(=O)[C@H](C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccccc3)cc2s1 ZINC000144060071 JH Annotated Anodyne C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144069190 JH Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000144098609 JH Annotated Anodyne NC[C@H](O)c1ccc(O)c2c1OC[C@@H](Oc1cccc(O)c1)[C@H]2c1ccc(O)c(Br)c1 ZINC000144167036 JH Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCC(c3nnnn3C)CC2)cc1 ZINC000144183422 JH Annotated Anodyne CN1CC[C@@]2(CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)C2)C1 ZINC000144210775 JH Annotated Anodyne CN1CC[C@]2(CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)C2)C1 ZINC000144210989 JH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CCOc2c1cccc2C(F)(F)F ZINC000144242652 JH Annotated Anodyne COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1 ZINC000144244555 JH Annotated Anodyne COCCOc1ccc(Cl)c(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1 ZINC000144250735 JH Annotated Anodyne Cc1cc(S(=O)(=O)N2CCN(c3nc4cc(C#N)ccc4nc3NC3CC3)CC2)c(C)cc1Cl ZINC000144255054 JH Annotated Anodyne COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)CC5(C)COC5)cc4c3)n2)c1 ZINC000144257566 JH Annotated Anodyne Cc1ccc(NC(=O)N2CCO[C@@H](CO)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144278799 JH Annotated Anodyne Cc1ccc(NC(=O)N2CCO[C@H](CO)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144279008 JH Annotated Anodyne CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(OCC5(C)COC5)ccn4)n3)ccc2[nH]1 ZINC000144291103 JH Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2cnc(NC(C)=O)s2)nc2ccc(C(F)(F)F)cc21 ZINC000144304835 JH Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(C(F)(F)F)nc2O1 ZINC000144329184 JH Annotated Anodyne N#Cc1ccc2nc(Nc3ccon3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000144369760 JH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC000144448960 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2C(C)(C)C(F)(F)F)C3=O)cn1 ZINC000144477755 JH Annotated Anodyne Fc1cc(F)c(CN2CCN(c3nc4ccncc4nc3Nc3cccnc3)CC2)cc1F ZINC000144530411 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2C2CC(F)(F)C2)C3=O)cn1 ZINC000144530417 JH Annotated Anodyne COc1ccc(Br)c(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1 ZINC000144534211 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2cc(C(F)(F)F)no2)C3=O)cn1 ZINC000144534596 JH Annotated Anodyne CN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1 ZINC000144538145 JH Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3F)c(F)c2)CC1 ZINC000144548969 JH Annotated Clean CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)[C@@H](C)OC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144561534 JH Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)[C@@H](C)OC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144561727 JH Annotated Anodyne COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)nc1 ZINC000144590092 JH Annotated Anodyne COC(=O)C1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@H](COC(C)=O)OC(C)=O ZINC000144630658 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2[C@H](C)C(F)(F)F)C3=O)cn1 ZINC000144653143 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2[C@@H](C)C(F)(F)F)C3=O)cn1 ZINC000144653312 JH Annotated Anodyne CN(C)C(=O)c1cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1 ZINC000144662219 JH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)[C@H](O)C(F)F)nc3)cc(-c3ccccn3)c2s1 ZINC000144680489 JH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CCN(C)CC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144689762 JH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CCNCC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144699037 JH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CCOCC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144709161 JH Annotated Anodyne Cn1cnc2cc(-c3ccc([C@@H]4CC[C@@H](N5CCOCC5)CC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000144802359 JH Annotated Anodyne O=c1cc(O)cc([C@H]2c3c(cc(/C=C\c4ccc(O)c(O)c4)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1 ZINC000014514334 JH Annotated Clean COc1cc(/C=C/c2cc3c(c(=O)o2)[C@]2(OC(C)=CC2=O)[C@H](c2ccc(O)c(O)c2)O3)ccc1O ZINC000014555366 JH Annotated Mild COc1cc(/C=C/c2cc3c(c(=O)o2)[C@]2(OC(C)=CC2=O)[C@@H](c2ccc(O)c(O)c2)O3)ccc1O ZINC000014555369 JH Annotated Mild COc1cc(/C=C/c2cc3c(c(=O)o2)[C@@]2(OC(C)=CC2=O)[C@H](c2ccc(O)c(O)c2)O3)ccc1O ZINC000014555372 JH Annotated Mild COc1cc(/C=C/c2cc3c(c(=O)o2)[C@@]2(OC(C)=CC2=O)[C@@H](c2ccc(O)c(O)c2)O3)ccc1O ZINC000014555375 JH Annotated Mild Cc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@](O)(Cc1ccccc1)OCCO2 ZINC000014556236 JH Annotated Clean C=C(C)[C@H](O)Cc1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c(C(=O)C(C)C)c1O ZINC000014558081 JH Annotated Mild COc1cc([C@@H]2c3c(O)cc(O)cc3[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(O)c2)cc(OC)c1O ZINC000014584342 JH Annotated Clean COC(=O)C[C@@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@H]2[C@@H]2OC(=O)[C@@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000014613920 JH 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]2OC(=O)[C@@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000014613921 JH 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]2OC(=O)[C@@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000014613922 JH 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]2OC(=O)[C@@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000014613923 JH Annotated Mild CC(=O)OCC1=CC(=O)[C@]2([C@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)OC(C)=O)O[C@@H]2C1=O ZINC000014618010 JH Annotated Mild CC(C)CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@H]1COC(=O)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000014637230 JH Annotated Anodyne COc1cc2cc3c(c(-c4cc(OC)c(OC(C)=O)c(OC(C)=O)c4)c2cc1OC(C)=O)C(=O)OC3 ZINC000014640924 JH Annotated Anodyne COc1cnc(CCn2ccc3c4n(c(=O)c(=O)cc2-4)c2ccccc32)c2c1c1ccccc1n2OC ZINC000014655543 JH Annotated Bother COc1ccc(C[C@@H](COC(C)=O)/C(=C\c2ccc3c(c2)OCO3)COC(C)=O)cc1OC ZINC000014677563 JH Annotated Anodyne O=C1C[C@@H](c2ccccc2)[N+]2=CN(CCCCN(C(=O)/C=C/c3ccccc3)CCCN1)CCC2 ZINC000014681273 JH Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCNCCCCN(C(=O)/C=C/c2ccccc2)CCCN1 ZINC000014681412 JH Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCNCCCCN(C(=O)/C=C\c2ccccc2)CCCN1 ZINC000014681424 JH Annotated Anodyne COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(OC)c1O ZINC000014697286 JH Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/CC[C@H](C)/C=C/C(=O)NCCc1c[n+](CCCNC(=N)N)cn1C ZINC000014715151 JH Annotated Anodyne CC(=O)Oc1ccc(-c2c(O)c(O)c(-c3ccc(O)c(O)c3)c(OC(C)=O)c2OC(C)=O)cc1 ZINC000014721706 JH Annotated Clean CC(=O)O[C@@]1(C)C(=O)c2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)O)cc3C ZINC000014767891 JH Annotated Bother CC(=O)O[C@@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@@]4(C)O)[nH]3 ZINC000014767894 JH Annotated Bother CCCC(=O)O[C@H]1CC/C(C)=C\C=C(\[C@H](C)C(=O)OC)C(=O)[C@@H]2[C@@H](C)[C@@H](O)C[C@@H](OC(C)=O)[C@@]12C ZINC000014816132 JH Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(O)c(Br)c3O)cc2O)c1 ZINC000014823547 JH Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(Br)c(O)c3)c(O)c2)c(O)c1 ZINC000014823549 JH Annotated Anodyne CC(=O)O[C@H](CC[C@]1(C)O[C@H]1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O ZINC000014824251 JH Annotated Anodyne CC(=O)O[C@H](CC[C@]1(C)O[C@@H]1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O ZINC000014824253 JH Annotated Anodyne CC(=O)O[C@H](CC[C@@]1(C)O[C@H]1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O ZINC000014824255 JH Annotated Anodyne CC(=O)O[C@H](CC[C@@]1(C)O[C@@H]1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O ZINC000014824257 JH Annotated Anodyne CC(=O)OC(C)(C)[C@@H]1CC[C@@](C)([C@@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000014824315 JH Annotated Anodyne CC(=O)OC(C)(C)[C@H]1CC[C@@](C)([C@@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000014824318 JH Annotated Anodyne CC(=O)OC(C)(C)[C@@H]1CC[C@](C)([C@@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000014824320 JH Annotated Anodyne CC(=O)OC(C)(C)[C@H]1CC[C@](C)([C@@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000014824323 JH Annotated Anodyne CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C=C/c1ccc(O)cc1 ZINC000014827089 JH Annotated Anodyne COC1=C(c2c(OC)cc3cc4c(c(O)c3c2O)C(=O)O[C@H](C)C4)C(=O)c2c(O)cccc2C1=O ZINC000014885084 JH Annotated Mild CC(=O)C[C@@H]1c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](OC(C)=O)Cc3cc4c(cc3[C@H]2N1C)OCO4 ZINC000014916856 JH Annotated Anodyne CCC(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6[C@@H]2OC2(C)C)[C@H]13 ZINC000014929698 JH Annotated Anodyne CCN1c2ncc(CSc3ncnc4nc[nH]c34)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000014943527 JH Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)c(CO)c3[nH]c1c1c2c2cccc3c2n1CCNC3 ZINC000014945563 JH Annotated Bother Cc1c2c(c(CNC(=O)CN(C)C)c3c1[nH]c1ccccc13)C(=O)N(Cc1ccccc1)C2=O ZINC000014945865 JH Annotated Anodyne CC(=O)O[C@H]1/C=C\[C@@](C)(O)C[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@]132 ZINC000014953941 JH Annotated Anodyne in-man biogenic CC(=O)O[C@H]1/C=C\[C@@](C)(O)C[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@]132 ZINC000014953943 JH Annotated Anodyne in-man biogenic Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1ccc3c(c1)OCO3)c(=O)n2C ZINC000014955671 JH Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1ccc3c(c1)OCO3)c(=O)n2C ZINC000014955675 JH Annotated Anodyne COC(=O)c1c(S(=O)(=O)N2CCCCCC2)sc2c1CCN(Cc1ccc(F)c(OC)c1)C2 ZINC000014963053 JH Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCCn2ccnc2)ccc2c1CCCC2 ZINC000014964544 JH Annotated Anodyne CCN(CC)CCC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964675 JH Annotated Anodyne CCN(CC)CCNC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964691 JH Annotated Anodyne CN(C)CCSc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964739 JH Annotated Anodyne CCN(CC)CC[S@@](=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964747 JH Annotated Anodyne CCN(CC)CC[S@](=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964751 JH Annotated Anodyne CCN(CC)CC[S@@](=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964754 JH Annotated Anodyne CCN(CC)CC[S@](=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964758 JH Annotated Anodyne CCN(CC)CCCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964807 JH Annotated Anodyne COc1c(-c2ccoc2)ccc(NS(=O)(=O)c2ccc(F)cc2NCCCN(C)C)c1C(=O)O ZINC000014965139 JH Annotated Anodyne CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000014970326 JH Annotated Bother CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccc(S(C)(=O)=O)c1 ZINC000014970330 JH Annotated Bother CN(C)S(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1 ZINC000014970333 JH Annotated Bother CN(C)S(=O)(=O)c1cccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)c1 ZINC000014970337 JH Annotated Bother COc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1 ZINC000014970366 JH Annotated Bother NNC(=O)c1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1 ZINC000014978426 JH Annotated Reactive O=c1cc(-c2nc(NC3CCOCC3)ncc2Cl)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000145016906 JH Annotated Anodyne O=c1cc(-c2nc(NC3CCOCC3)ncc2Cl)ccn1[C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000145017126 JH Annotated Anodyne C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2cc(C(C)(C)C(F)(F)F)ncc2OC3)[C@@H]1C(N)=O ZINC000145020228 JH Annotated Anodyne CC(=O)O[C@H]1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](OC(C)=O)CC[C@H]2OC(C)=O ZINC000145040914 JH Annotated Anodyne CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)COC1(C)C ZINC000145068545 JH Annotated Anodyne Cc1nc(NC(=O)N2CC[C@@H](C)[C@H]2C(N)=O)sc1-c1csc(C2(C(F)(F)F)CC2)n1 ZINC000145105214 JH Annotated Anodyne CC(C)[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1 ZINC000145199566 JH Annotated Anodyne CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4cc(OCC5(C)COC5)ccn4)n3)cc2[nH]1 ZINC000145310219 JH Annotated Anodyne C#C[C@@H](Br)[C@H]1C[C@H]2O[C@]3(C[C@H]2O1)O[C@H]([C@H](Br)CC)C[C@@H]3Br ZINC000145319335 JH Annotated Reactive C#C[C@H](Br)[C@H]1C[C@H]2O[C@]3(C[C@H]2O1)O[C@H]([C@H](Br)CC)C[C@@H]3Br ZINC000145319514 JH Annotated Reactive CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)C[C@H](OC(C)=O)[C@H]2CC[C@]21O ZINC000145334758 JH Annotated Reactive C#C[C@@H](Br)[C@H]1C[C@H]2O[C@@]3(CC[C@@H]([C@@H](Br)CC)O3)[C@H](Br)[C@H]2O1 ZINC000145380400 JH Annotated Reactive C=C([C@@H](/C=C/[C@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145393841 JH Annotated Mild C=C([C@H](/C=C/[C@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145394021 JH Annotated Mild C=C([C@@H](/C=C/[C@@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145394212 JH Annotated Mild C=C([C@H](/C=C/[C@@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145394409 JH Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@@H](C/C=C(\C)C(=O)OC)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000145423859 JH Annotated Mild CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2[C@H](C)CCC[C@@H](C)[C@H]1OC[C@H]2O[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000145425138 JH Annotated Anodyne O=C(O)CN1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1 ZINC000145476158 JH Annotated Anodyne C[C@@H]1CN(CC2(c3cccnc3)CCC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000145481306 JH Annotated Anodyne COCCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145485397 JH Annotated Anodyne COCCNc1cc(-c2nc(C)cc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145495191 JH Annotated Anodyne COCCS(=O)(=O)[C@@H](C(=O)NCc1cc(C)no1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145497731 JH Annotated Anodyne COCCS(=O)(=O)[C@H](C(=O)NCc1cc(C)no1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145497938 JH Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)cc5N)nc(C(F)(F)F)nc34)cn2)cn1 ZINC000145550586 JH Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(=O)CCC)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@H](OC(C)=O)CC1=O ZINC000145578568 JH Annotated Mild Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)nc(C(F)(F)F)nc34)cn2)cn1 ZINC000145578960 JH Annotated Anodyne CN1CC(=O)N(CC(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1=O ZINC000145648896 JH Annotated Anodyne CN1CC(=O)N(CC(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)C1=O ZINC000145649104 JH Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)[C@@H]2CCC[C@H](N3CCCC3)[C@H]21 ZINC000145665569 JH Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCCC(=O)O)c3C(N)=O)cc2)cc1 ZINC000145702514 JH Annotated Anodyne Cn1cc(C(F)(F)F)cc(NC(=O)NCc2ccc(Oc3ccnc4c3CNC(=O)N4)cc2)c1=O ZINC000146062130 JH Annotated Anodyne COc1cc(-c2cc(OCN3C(=O)NC(=O)C3(C)C)c3cccnc3c2)cc(OC)c1OC ZINC000146170076 JH Annotated Anodyne Cc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C1(C)CCC1 ZINC000146191729 JH Annotated Mild Cc1ncn(-c2ccc(C#N)nc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1 ZINC000146229355 JH Annotated Mild Cn1c(OC2CCN(c3ccccc3CN3Cc4ccccc4C3)CC2)nc(-c2ccncn2)cc1=O ZINC000146495625 JH Annotated Anodyne Cn1c(OC2CCN(c3ccc(CN4Cc5ccccc5C4)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000146500329 JH Annotated Clean Cn1c(OCC2CCN(c3ccc(CN4CCCCC4)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000146501599 JH Annotated Clean Cn1c(OC2CCN(c3ccc(CN4CCCCC4)cc3)CC2)nc(-c2ccncc2)cc1=O ZINC000146530126 JH Annotated Clean Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(I)cc5[nH]4)c3N)ccc2[nH]1 ZINC000146538214 JH Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N4CCCC4)cc2)CC3)cc1 ZINC000146540600 JH Annotated Anodyne Cc1nc2cc(-n3ncc(C(=O)c4cc(Br)c(Br)[nH]4)c3N)ccc2[nH]1 ZINC000146543944 JH Annotated Anodyne CN(C)CCNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000146592534 JH Annotated Anodyne CC(=O)OC/C(=C\C=C\[C@@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000146598224 JH Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OS(=O)(=O)O)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146640368 JH Annotated Anodyne CC(C)(C)n1c(-c2ccccc2C(=O)NC2CCNCC2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000146669712 JH Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4cccnc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146712414 JH Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4cccnc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146712617 JH Annotated Anodyne C=C(CCC[C@@H](C)OC(C)=O)[C@@H]1C(=O)O[C@@H](C/C=C(\C)COC(C)=O)C2=CO[C@H](OC(C)=O)C[C@H]21 ZINC000146756826 JH Annotated Mild COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCCC4)cc2)CC3)cc1 ZINC000146761567 JH Annotated Anodyne CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2CC(C)=CC(=O)O2)O[C@@H]1C ZINC000146774453 JH Annotated Anodyne CC(=O)OC[C@@]12CC[C@H]3[C@@](C)(COC(C)=O)[C@H](OC(C)=O)C(=O)C[C@]3(C)[C@H]1CCc1cocc12 ZINC000147047671 JH Annotated Anodyne CC(=O)OC[C@@]12CC[C@H]3[C@@](C)(COC(C)=O)[C@@H](OC(C)=O)C(=O)C[C@]3(C)[C@H]1CCc1cocc12 ZINC000147047867 JH Annotated Anodyne O=C(NCc1ccc(-c2ccn(COP(=O)(O)O)c(=O)c2)cc1)c1c(Cl)cccc1Cl ZINC000147193992 JH Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(Cl)c3)c(F)c2)CC1 ZINC000147229655 JH Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ncccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147242893 JH Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ncccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147243136 JH Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3Cl)c(F)c2)CC1 ZINC000147281408 JH Annotated Anodyne Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c1 ZINC000147357312 JH Annotated Anodyne CO[C@@H]1C=C[C@@H]2C=CN(S(=O)(=O)c3ccc(Cl)cc3OCC3CCN(C)CC3)[C@H]2C1 ZINC000147360434 JH Annotated Anodyne in-vivo CO[C@@H]1C=C[C@H]2C=CN(S(=O)(=O)c3ccc(Cl)cc3OCC3CCN(C)CC3)[C@H]2C1 ZINC000147360631 JH Annotated Anodyne in-vivo Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)ccn3n2)c1 ZINC000147363994 JH Annotated Anodyne Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(C)n3n2)c1 ZINC000147379075 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147412451 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2c1CN(S(=O)(=O)Nc1ncns1)CC2 ZINC000147484573 JH Annotated Anodyne C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(S(C)(=O)=O)c1-c1ccccc1 ZINC000147706117 JH Annotated Anodyne CC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F ZINC000147713261 JH Annotated Anodyne CC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F ZINC000147713486 JH Annotated Anodyne CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1 ZINC000147715929 JH Annotated Anodyne CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1 ZINC000147716133 JH Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12 ZINC000147811554 JH Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12 ZINC000147827166 JH Annotated Anodyne CC(=O)c1cn(CC(=O)N2C[C@H](F)[C@@H](F)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 ZINC000147840185 JH Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1F ZINC000147851030 JH Annotated Anodyne CC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N/C=C\[C@@]1(CC=C(C)C)C(=O)Nc2ccccc21)C(C)C)C(C)C ZINC000147923393 JH Annotated Anodyne CC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N/C=C\[C@]1(CC=C(C)C)C(=O)Nc2ccccc21)C(C)C)C(C)C ZINC000147923596 JH Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(CCF)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147924459 JH Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(CCF)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147924655 JH Annotated Anodyne COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1 ZINC000148089363 JH Annotated Anodyne COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3cc(OC)c(OC)c(OC)c3)c2=O)c1 ZINC000148089591 JH Annotated Anodyne CN(C)CCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1 ZINC000148093166 JH Annotated Anodyne COc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCCCN(C)C)cn4)c3)n2)c1 ZINC000148264019 JH Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@@H]5CCOC5)nc34)c2)[nH]n1 ZINC000148274326 JH Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@H]5CCOC5)nc34)c2)[nH]n1 ZINC000148274502 JH Annotated Anodyne CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1 ZINC000148274877 JH Annotated Mild CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148275612 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc(C3(c4nnc5n4CCS[C@](C)(CO)C5)CC3)cc2)cc1 ZINC000148292581 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)cc2)cc1 ZINC000148292774 JH Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148301243 JH Annotated Mild COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)n[nH]4)ccc3C)c2n1 ZINC000148310987 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc(C3(c4nnc5n4CCS[C@](C)(CO)C5)CC3)cc2)c1 ZINC000148316175 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)cc2)c1 ZINC000148316412 JH Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148319934 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148320138 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148340232 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N4CCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148340443 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148341678 JH Annotated Mild O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCC(N2CCOC2=O)CC1 ZINC000148343174 JH Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(Cl)c2)c1C#Cc1ccc(NC)nc1 ZINC000148345239 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148392462 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148410377 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148487130 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(OC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148494255 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148507123 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148515204 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148515403 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@@H]3CCCN(C)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148545318 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@H]3CCCN(C)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148545518 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCC3(O)CCCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148576360 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(CN(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148586084 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCCOC)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148590573 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(CC)CC)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148591665 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(CC)CC)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148591876 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148598064 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148598297 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(Cl)c2)c1C#Cc1ccc(NC)nc1 ZINC000148618042 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCc4ncccc4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148619953 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148632535 JH Annotated Mild CCCN1CCN(C(=O)c2c(F)cc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1 ZINC000148647867 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)C[C@@H]3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148665150 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)C[C@H]3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148665323 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148666719 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148668030 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148668498 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148668687 JH Annotated Mild O=c1c(OCCN2CCn3c2nc2ccccc23)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1 ZINC000148670609 JH Annotated Anodyne in-vitro CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148681493 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)NCC3(C)COC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148681954 JH Annotated Mild CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2OC)CC1 ZINC000148682813 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(O)(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148683295 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148686342 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(Cl)c2)c1C#Cc1ccc(NC)nc1 ZINC000148691116 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(NC)nc1 ZINC000148703847 JH Annotated Mild CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCn4ccnc4C3)c(F)c2)cn1 ZINC000148713201 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C)(O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148721114 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CO)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000148735387 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148735625 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148738509 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148739214 JH Annotated Mild CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2C)CC1 ZINC000148755635 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN([C@H](C)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148811728 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN([C@@H](C)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148811938 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N(C)C3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148860143 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CC3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148867386 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148878283 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148962063 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(O)(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148979637 JH Annotated Mild O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@@](O)(c3ccccc3)CC2)C1 ZINC000149086222 JH Annotated Anodyne Cc1cc(NC(=O)N2CCC(F)(c3ncc(C[C@H](O)CO)cc3F)CC2)ccc1OC(F)(F)F ZINC000149089512 JH Annotated Anodyne Nc1cccnc1[C@@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 ZINC000149090384 JH Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cc(C(F)(F)F)n[nH]4)c3CCN12 ZINC000149128657 JH Annotated Anodyne CC1(C(=O)N[C@@H](CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)C(=O)O)CCCCC1 ZINC000149202271 JH Annotated Anodyne CCc1ncnc(N2CCN(c3ccccc3C(F)(F)F)CC2)c1C#Cc1ccc(N)nc1 ZINC000149302999 JH Annotated Mild COCCN(C)C(=O)Nc1cc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)ccc1C ZINC000149340671 JH Annotated Mild N#CC1(c2ccncn2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000149567854 JH Annotated Mild CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C)[C@@H](CN(C)C)C2)cc1 ZINC000149614118 JH Annotated Anodyne COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)c3c2)cc1C#N ZINC000149750490 JH Annotated Anodyne in-vitro CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000149796159 JH Annotated Reactive CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc5c(c4)OCCO5)C3)cc2)ccn1 ZINC000149955047 JH Annotated Clean FC(F)Oc1cnc(Oc2cnc(Nc3ccc([C@@H]4CNCCO4)cc3Cl)nc2)nc1 ZINC000149979338 JH Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3n2)cc1 ZINC000001516038 JH Annotated Anodyne O=C(NNC(=O)C(F)(F)[C@H](O)c1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001534908 JH Annotated Reactive O=C(NNC(=O)C(F)(F)[C@@H](O)c1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001534909 JH Annotated Reactive O=C(NNC(=O)C(F)(F)[C@H](O)c1ccncc1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001536585 JH Annotated Reactive CCCCn1c(=O)c2nn(S(=O)(=O)c3cc(Cl)c(Cl)s3)cc2n(CCCC)c1=O ZINC000001549401 JH Annotated Anodyne CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1cccc(OC)c1OC ZINC000001551097 JH Annotated Bother COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@H](COC(C)=O)[C@@H](COC(C)=O)C2)OCO3 ZINC000001575130 JH Annotated Anodyne COc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@]21C[C@]2([N+](=O)[O-])CN3CCC[C@H]3C[C@@H]2C1(C)C ZINC000001575846 JH Annotated Bother CC(C)(C)c1cc([C@@H]2c3cc4c(cc3O[C@](O)(CO)[C@H]2C(=O)O)OCO4)cc(C(C)(C)C)c1O ZINC000001614342 JH Annotated Anodyne O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000001617620 JH Annotated Bother COC(=O)CCC(=O)N1Cc2cc(C)ccc2N(C(=O)CCC(=O)OC)Cc2cc(C)ccc21 ZINC000001618127 JH Annotated Anodyne COc1cc(C(=O)N2CCc3c([nH]c4c([N+](=O)[O-])c(OC)ccc34)[C@H]2C)cc(OC)c1OC ZINC000001620068 JH Annotated Bother COC(=O)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000001620618 JH Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)CCc1cc(O)c(O)c(O)c1-2 ZINC000001627990 JH Annotated Clean CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000001628472 JH Annotated Clean CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(C#N)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000001628473 JH Annotated Mild CS[C@@H]([C@H]1c2ccccc2N(C)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000001628611 JH Annotated Anodyne CCOC(=O)/C(C#N)=C1/Sc2c(ncn(/N=C/c3ccc(OC)cc3)c2=O)N1c1ccccc1 ZINC000001633235 JH Annotated Reactive COCc1cc2c(s1)C(=O)C1=C(C2=O)C2(C=C(Br)C(=O)C(Br)=C2)CCN1 ZINC000001635065 JH Annotated Mild O=C1c2c(Br)sc(Br)c2[C@@H](NC(=O)C(F)(F)F)[C@H]1Br ZINC000001638255 JH Annotated Reactive COc1ccc2c(c1)C(=O)[C@@](Nc1ccc(C=O)cc1)(OC)[C@@](OC)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000001638884 JH Annotated Bother COc1c2occc2c(OC)c2c(=O)c(S(=O)(=O)/N=C(\O)Nc3ccc(Cl)cc3)coc12 ZINC000001639093 JH Annotated Mild COc1cc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc(OC)c1OC ZINC000001642334 JH Annotated Anodyne CC(=O)Oc1cc(S(=O)(=O)Nc2nc(Nc3ccc(C)cc3)n[nH]2)c(S)cc1Cl ZINC000001642337 JH Annotated Anodyne CC(C)CC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F ZINC000001645400 JH Annotated Anodyne O=C1C(NS(=O)(=O)c2ccccc2)=C([n+]2ccc(Cc3ccccc3)cc2)C(=O)c2ccccc21 ZINC000001650367 JH Annotated Mild COc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000001650956 JH Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC ZINC000001651285 JH Annotated Reactive CCOC(=O)C[C@@H]1CCN(C(=O)c2ccccc2)[C@H]2Cc3c([nH]c4ccccc34)[C@@]12C[N+](=O)[O-] ZINC000001653339 JH Annotated Bother Cc1c(C)c(S(=O)(=O)N(CCCCCCN)OCCCN)c(C)c2c1OC(C)(C)CC2 ZINC000001655146 JH Annotated Anodyne O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000001658713 JH Annotated Reactive NC(=O)C1CCN(Cc2c(Cl)c(Cl)c(CN3CCC(C(N)=O)CC3)c(Cl)c2Cl)CC1 ZINC000001659432 JH Annotated Anodyne O=C(c1cccs1)N(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000001659460 JH Annotated Anodyne O=c1c2cc(I)ccc2nc(SCc2nnco2)n1Cc1ccccc1 ZINC000001660366 JH Annotated Anodyne Cc1c(N2C(=O)CS(=O)(=O)[C@H]2c2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000001661636 JH Annotated Anodyne COC(=O)c1c(O)ccc2c1c1c(n2Cc2cc(OC)cc(OC)c2)C(=O)c2ccccc2C1=O ZINC000001663098 JH Annotated Clean O=C1c2ccccc2C(=O)N1n1c(-c2cccs2)nc2ccc(I)cc2c1=O ZINC000001663574 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000001674240 JH Annotated Mild O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O ZINC000001788185 JH Annotated Clean O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O ZINC000001788187 JH Annotated Clean CN(C)CCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1 ZINC000001818795 JH Annotated Anodyne CN(C)CCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1 ZINC000001818796 JH Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000001824229 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)nc1C ZINC000001827611 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)nc1C ZINC000001827613 JH Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccco2)cc1 ZINC000001832288 JH Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccco2)cc1 ZINC000001832289 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000001842128 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000001842130 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)o2)nc1C ZINC000001842134 JH Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(F)cc1 ZINC000001843927 JH Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(F)cc1 ZINC000001843938 JH Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(F)cc1 ZINC000001843941 JH Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(F)cc1 ZINC000001843950 JH Annotated Anodyne Cc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(C)cc4O)n3N)n2N)c(O)c1 ZINC000001855844 JH Annotated Anodyne Cc1cccc(O)c1-c1nnc(CCCCCCCCc2nnc(-c3c(C)cccc3O)n2N)n1N ZINC000001855849 JH Annotated Anodyne N=c1c2c3n(c4c(=O)n(-c5ccccc5)c(=S)n(c(=O)n1-c1ccccc1)c24)CCCCC3 ZINC000001859892 JH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=CN2C(=C1C(=O)OCC)Nc1cccc3cccc2c13 ZINC000001862342 JH Annotated Anodyne CN(CCNC(=O)c1c[nH]c2c1Cc1ccccc1-2)CCNC(=O)c1c[nH]c2c1Cc1ccccc1-2 ZINC000001865082 JH Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000001876264 JH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000001876726 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000001876727 JH Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000001878617 JH Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000001878621 JH Annotated Anodyne N=C(N)N1CCC(COc2cc(Cl)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1 ZINC000001893789 JH Annotated Anodyne COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(S(C)(=O)=O)c1 ZINC000001911374 JH Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccc(F)cc5)CC4)c(c32)S1 ZINC000001913709 JH Annotated Anodyne O=C(O)c1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3F)C(=O)c3ccccc32)cc1 ZINC000001926319 JH Annotated Mild O=C(NC1CC1)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000015006333 JH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000015043582 JH Annotated Reactive COc1cc([C@H]2Oc3c(OC)cc(/C=C\C(=O)NCCc4ccc(O)cc4)cc3[C@@H]2CO)ccc1O ZINC000015153028 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@H](C)[C@H](OC(=O)/C=C\SC)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000015157637 JH Annotated Anodyne in-man COc1cc([C@H]2Oc3c(OC)cc(CCCOC(C)=O)cc3[C@@H]2COC(C)=O)ccc1OC(C)=O ZINC000015169065 JH Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(CCCOC(C)=O)cc3[C@H]2COC(C)=O)ccc1OC(C)=O ZINC000015169066 JH Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(CCCOC(C)=O)cc3[C@H]2COC(C)=O)ccc1OC(C)=O ZINC000015169068 JH Annotated Anodyne O=C(O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 ZINC000015203323 JH Annotated Clean in-vitro biogenic O=C(O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 ZINC000015203325 JH Annotated Clean COC1=CC2(C=C(OC)C1=O)C[C@@H](C)[C@H](C)[C@@H](OC(C)=O)c1cc(OC)c(OC)c(OC)c12 ZINC000015210775 JH Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(O)cc2Oc2c(O)cc(O)c(-c3c(O)cc(O)cc3O)c2O)c1 ZINC000015218803 JH Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)cc2O)c1 ZINC000015218809 JH Annotated Anodyne CCCC(=O)Cc1cc(OC(=O)c2c(O)cc(OC)cc2CC(=O)CCC)cc(O)c1C(=O)O ZINC000015258305 JH Annotated Anodyne COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC)cc3O)cc2O)cc1O ZINC000015266103 JH Annotated Anodyne COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@]3(OC)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000015272281 JH Annotated Anodyne in-vitro biogenic Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(N(C)C3CCOCC3)n2n1 ZINC000150025404 JH Annotated Anodyne COc1ccc(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)N[C@@H]1CCOC1 ZINC000150041538 JH Annotated Mild COc1ccc(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)N[C@H]1CCOC1 ZINC000150041667 JH Annotated Mild Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(NC[C@H](O)C(F)(F)F)n2n1 ZINC000150089494 JH Annotated Anodyne N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(F)c(NC(=O)N[C@@H]4CCOC4)c3)CC2)cc1 ZINC000150156282 JH Annotated Mild N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(F)c(NC(=O)N[C@H]4CCOC4)c3)CC2)cc1 ZINC000150156492 JH Annotated Mild O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCBr)c(F)c3)c2c2ccsc12 ZINC000150185263 JH Annotated Unstable Cc1nc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)cc4)c3n2)ccc1F ZINC000150289591 JH Annotated Anodyne COc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1 ZINC000150335291 JH Annotated Anodyne CC(C)=CC(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@H]4[C@@H]3CC[C@H]2[C@H]1O ZINC000153477961 JH Annotated Anodyne Brc1ccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)s1 ZINC000015779639 JH Annotated Anodyne COC(=O)c1ccccc1NC1=C/C(=N\S(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O ZINC000015880064 JH Annotated Mild O=C(CNC(=O)c1cccnc1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000015884927 JH Annotated Clean Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@H]5C4=O)c3)CC2)c1C ZINC000015895089 JH Annotated Anodyne COC(=O)c1ccc(-c2cc(CC3(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC3)on2)cc1 ZINC000015933786 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4ccc(C)cc4)C(=O)N23)cc1 ZINC000015935752 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(F)c4)C(=O)N23)cc1 ZINC000015935778 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(C)c4)C(=O)N23)cc1 ZINC000015935779 JH 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@@]21C ZINC000015935780 JH Annotated Anodyne C[C@@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015936258 JH Annotated Bother C[C@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015936259 JH Annotated Bother NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000015936262 JH Annotated Bother NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000015936263 JH Annotated Bother CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21C ZINC000015936622 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21CC(C)C ZINC000015936653 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000015936665 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000015936668 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000015936669 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000015936671 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000015936675 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000015936677 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000015936681 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@]12C ZINC000015936686 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@@]12C ZINC000015936688 JH Annotated Anodyne CC(=O)N1CCN(c2ccc(Oc3cc(NN4CCCCC4)c([N+](=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC000015936826 JH Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000015937472 JH Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000015937473 JH Annotated Bother NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000015937504 JH Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000015937506 JH Annotated Bother NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000015937508 JH Annotated Bother NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000015937509 JH Annotated Bother CCn1c(=O)c(CCC(=O)N2CCN(c3ccccn3)CC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21 ZINC000015942469 JH Annotated Anodyne CCn1c(=O)c(CCC(=O)N2CCN(c3ccccn3)CC2)c(C)c2c(C)nn(-c3ccccc3)c21 ZINC000015942479 JH Annotated Anodyne CCc1nn([C@@H](CC)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3oc(C)cc3n12 ZINC000015943773 JH Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Oc2ccc(-c3ccccc3)c(C(=O)NCc3ccccc3)c2)OC1(C)C ZINC000015952717 JH Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccccc3)c(C(=O)NCCc3ccccc3)c2)OC1(C)C ZINC000015952718 JH Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccccc3)c(C(=O)NCc3ccccc3)c2)OC1(C)C ZINC000015952719 JH Annotated Anodyne Cc1ccccc1NC(=S)NN/C=C1\C=Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000015974100 JH Annotated Anodyne CCc1cccc(N/C(S)=N\N=C/c2cn(CC)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000015974104 JH 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=C(O)[C@H]12 ZINC000015974513 JH Annotated Mild Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)cc1 ZINC000015985703 JH Annotated Reactive Cc1ccc(CSc2nnc(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)s2)cc1 ZINC000015986513 JH Annotated Reactive O=C(NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1cncc(Br)c1 ZINC000015987773 JH Annotated Anodyne aggregator O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1cncc(Br)c1 ZINC000015987774 JH Annotated Anodyne aggregator C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)c2ccoc2C)cc1 ZINC000015989800 JH Annotated Reactive O=C1[C@@H](Cc2ccc(Cl)c(Cl)c2)SC(=S)N1NS(=O)(=O)c1cccs1 ZINC000016051794 JH Annotated Clean in-vivo COc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1ccco1 ZINC000016247256 JH Annotated Clean COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C2=O)cc1Cl ZINC000016247426 JH Annotated Clean COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000016265646 JH Annotated Clean C[C@@H]1NO[C@@H](NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@@H]1C ZINC000016951525 JH Annotated Clean C[C@H]1NO[C@@H](NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@@H]1C ZINC000016951529 JH Annotated Clean Cc1ccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)nc1 ZINC000165134689 JH Annotated Anodyne O=C1OC[C@@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)c2n1 ZINC000165170732 JH Annotated Anodyne O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)c2n1 ZINC000165170850 JH Annotated Anodyne Cc1cc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)cc4)c3n2)ncc1F ZINC000165201936 JH Annotated Anodyne CC1(C(=O)N[C@H](CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)C(=O)O)CCCCC1 ZINC000165459322 JH Annotated Anodyne C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2C([C@H](C/C=C(\C)C(=O)OC)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000165876981 JH Annotated Mild COc1ccc(C(=O)Nc2cccc([C@@H](CCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000166238526 JH Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000166238652 JH Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F)c1ccoc1 ZINC000166376188 JH Annotated Anodyne C[C@@H](/C=C1\C(=O)N(C)[C@@](O)(C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000166385650 JH Annotated Anodyne C[C@@H](/C=C1/C(=O)N(C)[C@@](O)(C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000166385775 JH Annotated Anodyne CNCCOc1ccc2c(c1)O[C@]1(c3ccc(Cl)cc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21O ZINC000166647704 JH Annotated Anodyne in-vivo CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1cc3c(c(OC(C)=O)c1C2=O)[C@H]1CCC[C@@](C)(O3)O1 ZINC000166844359 JH Annotated Clean C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC000166942743 JH Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC000166942830 JH Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@@H](F)[C@@H](Cl)C=C4)c3)ncnc12 ZINC000166948422 JH Annotated Reactive NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@H](F)[C@@H](Cl)C=C4)c3)ncnc12 ZINC000166948541 JH Annotated Reactive NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@@H](F)[C@H](Cl)C=C4)c3)ncnc12 ZINC000166948655 JH Annotated Reactive NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@H](F)[C@H](Cl)C=C4)c3)ncnc12 ZINC000166948779 JH Annotated Reactive COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccccc2F)=C1 ZINC000166954836 JH Annotated Anodyne COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccccc2F)=C1 ZINC000166954954 JH Annotated Anodyne COCCCO[C@H]1C=C(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)C=CC1 ZINC000166965053 JH Annotated Anodyne COCCCO[C@@H]1C=C(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)C=CC1 ZINC000166965182 JH Annotated Anodyne COc1ccc(C(=O)NC2=CCCC([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)cc1F ZINC000166984079 JH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CC(NC(=O)C2(C(F)(F)F)CCC2)=CCC1 ZINC000166996734 JH Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CC(NC(=O)C2(C(F)(F)F)CCC2)=CCC1 ZINC000166996828 JH Annotated Anodyne COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccc(F)cc2F)=C1 ZINC000167001372 JH Annotated Anodyne COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccc(F)cc2F)=C1 ZINC000167001471 JH Annotated Anodyne CN(C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccccc2F)=C1 ZINC000167025820 JH Annotated Anodyne CN(C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccccc2F)=C1 ZINC000167025932 JH Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-c4ncccn4)C[C@H]3C2)nc(C(F)(F)F)n1 ZINC000167191294 JH Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-c4ncccn4)C[C@@H]3C2)nc(C(F)(F)F)n1 ZINC000167191396 JH Annotated Anodyne Cc1cc(N2C[C@@H]3CN(C(=O)c4cc(F)ccc4-c4ncccn4)C[C@H]3C2)nc(C(F)(F)F)n1 ZINC000167191481 JH Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167392062 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167392171 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167393091 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167393211 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@]4(CCN(C)C4)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167397079 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@]4(CCN(C)C4)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167397203 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167399874 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(OC)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167400591 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167407017 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4c(C)cnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167408681 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(CC3)COC4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167409873 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CC[C@@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000167425824 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(C)(O)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000167428945 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167438790 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167441521 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167442510 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CNC4)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167446594 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCn4c(C)cnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167449063 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCn4ccnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167449450 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CN)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167458169 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CC(N)C4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167469477 JH Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C[C@@H]3C)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167481314 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167482052 JH Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C[C@@H]3C)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167482301 JH Annotated Mild N#Cc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1 ZINC000167516283 JH Annotated Mild N#Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1 ZINC000167516395 JH Annotated Mild COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2cc(F)ccc2F)=C1 ZINC000167919178 JH Annotated Anodyne COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2cc(F)ccc2F)=C1 ZINC000167919273 JH Annotated Anodyne N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1 ZINC000167952690 JH Annotated Anodyne N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1 ZINC000167952794 JH Annotated Anodyne N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000167953434 JH Annotated Anodyne N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000167953670 JH Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl ZINC000168240268 JH Annotated Anodyne O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cc(Cc2ccc(O)cc2)n2ccccc12 ZINC000168382485 JH Annotated Anodyne CC(=O)N1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc3n2C)C1 ZINC000168733280 JH Annotated Anodyne N#Cc1ccc(N2CCN(c3cccc(C(=O)NC4[C@H]5CC6C[C@H]4CC(O)(C6)C5)n3)CC2)c(Cl)c1 ZINC000168810653 JH Annotated Mild CCCS(=O)(=O)Nc1cc(F)cc(-c2nc(C3CC3)[nH]c2-c2ccnc(N)n2)c1Cl ZINC000168887104 JH Annotated Anodyne Cc1cc(NS(C)(=O)=O)c(F)c(-c2nc(C3(C)CC3)[nH]c2-c2ccnc(NCCC#N)n2)c1 ZINC000169184749 JH Annotated Mild CCNc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cn[nH]c5)c4)ccnc32)ccc1C(N)=O ZINC000169235653 JH Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3Cl)cn2)cn1 ZINC000169273735 JH Annotated Anodyne CCNc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169274733 JH Annotated Anodyne O=C(NC1CCC(C(=O)O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000169283168 JH Annotated Anodyne O=C(NC1CCC(C(=O)O)CC1)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12 ZINC000169283264 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CN2CCSCC2)[C@@H]1c1ccccc1 ZINC000169289588 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCSCC2)[C@@H]1c1ccccc1 ZINC000169289589 JH Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000169290487 JH Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000169290488 JH Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000169290489 JH Annotated Anodyne CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169290940 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169290941 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169290942 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169290943 JH Annotated Mild C/C1=C/[C@@H](C)CC/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169291036 JH Annotated Anodyne C/C1=C/[C@@H](C)CC/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169291037 JH Annotated Anodyne C/C1=C/[C@@H](C)CC/C=C/CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169291038 JH Annotated Anodyne C[C@@H]1CN(CC2(c3ccncc3)CCC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000169291121 JH Annotated Anodyne C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc([C@@](C)(F)C(F)(F)F)cc1 ZINC000169291152 JH Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)c2oncc2C[C@@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@@H]31 ZINC000169291231 JH Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)c2oncc2C[C@@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]31 ZINC000169291232 JH Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)c2oncc2C[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000169291233 JH Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)c2oncc2C[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169291234 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291367 JH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291368 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291369 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291370 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291371 JH Annotated Mild CCOC(=O)[C@H]1[C@@H](c2ccc(C#N)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291372 JH Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291373 JH Annotated Mild CCOC(=O)[C@H]1[C@H](c2ccc(C#N)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291374 JH Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291574 JH Annotated Mild CCOC(=O)[C@H]1[C@@H](c2ccc(C#N)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291575 JH Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291576 JH Annotated Mild CCOC(=O)[C@H]1[C@H](c2ccc(C#N)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291577 JH Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291586 JH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291587 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291588 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291589 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291732 JH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291733 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291734 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291735 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292002 JH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292003 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292005 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292006 JH Annotated Anodyne CN1CCN(CC(=O)O[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169292375 JH Annotated Anodyne CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000169292958 JH Annotated Bother C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000169293037 JH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000169293038 JH Annotated Anodyne Cc1nc(/C=C(\CO)[C@@H]2C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000169293094 JH Annotated Anodyne Cc1cccc(N/C(S)=N\C[C@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1 ZINC000169293170 JH Annotated Mild C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3OC(C)(C)O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169293246 JH Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@@H]3OC(C)(C)O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169293247 JH Annotated Anodyne CN1CCN(CCC(=O)N[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169293551 JH Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](CO)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000169293585 JH Annotated Mild C[C@@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169293797 JH Annotated Anodyne C[C@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169293798 JH Annotated Anodyne C[C@@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@@H]3C[C@@H]4C[C@]21C[C@@]4(C)O3 ZINC000169293799 JH Annotated Anodyne C[C@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169293800 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)cc1 ZINC000169294369 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)cc1 ZINC000169294370 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccc5ccccc5c4)[C@@H](O)C3)c2n1 ZINC000169294853 JH Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169295179 JH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000169295550 JH Annotated Mild CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000169296483 JH Annotated Clean CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000169296484 JH Annotated Clean CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000169296485 JH Annotated Clean C[C@@H]1C/C=C\CC/C=C\C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1 ZINC000169297643 JH Annotated Mild C[C@@H]1C/C=C/CC/C=C\C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1 ZINC000169297644 JH Annotated Mild C[C@@H]1C/C=C\CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1 ZINC000169297645 JH Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298104 JH Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298106 JH Annotated Bother CC(=O)Oc1cc(OC(C)=O)c2c(c1Cl)C[C@H](OC(C)=O)/C=C\CC[C@H]1O[C@@H]1C[C@@H](C)OC2=O ZINC000169298589 JH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1Cl)C[C@@H](OC(C)=O)/C=C\CC[C@H]1O[C@@H]1C[C@@H](C)OC2=O ZINC000169298590 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C/N=C(\S)Nc5ccc(Cl)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000169298741 JH Annotated Mild CN1CCN(C23C[C@H](NC(=O)CN4CCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298838 JH Annotated Anodyne CCn1c(=O)/c(=C\C=C2/Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C ZINC000169299960 JH Annotated Anodyne O=C(OCCS(=O)(=O)c1ccccc1)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C/C#C[C@H]14 ZINC000169300985 JH Annotated Mild CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000169301631 JH Annotated Mild Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000169302160 JH Annotated Mild O=C1C(NS(=O)(=O)c2ccc(Br)s2)=C(N2CCCCC2)C(=O)c2ccccc21 ZINC000169302693 JH Annotated Mild O=C(NC1=C(N2CCSCC2)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000169303157 JH Annotated Mild CCOc1ccc(CCNC(=O)c2cc3sccc3n2CCN2CCN(C)CC2)cc1OCC ZINC000169303656 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccco2)N(C)[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304097 JH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccco2)N(C)[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304099 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(C)[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304100 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccco2)N(C)[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304102 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304494 JH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304496 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304497 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000169304849 JH Annotated Anodyne COc1cc(F)c2nccc([C@@H](O)CN3CC[C@H](NC(=O)OCc4ccccc4)[C@@H](F)C3)c2c1 ZINC000169306428 JH Annotated Anodyne COC1=C(OC)[C@H](OC(C)=O)C2=C(C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c32)C1=O ZINC000169306786 JH Annotated Mild COC1=C(OC)[C@@H](OC(C)=O)C2=C(C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c32)C1=O ZINC000169306788 JH Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CSC3(C)C)nc12 ZINC000169307148 JH Annotated Anodyne O[C@H](COCCOC[C@@H](O)Cc1cn(-c2cccs2)nn1)Cc1ccc(-c2ccccc2)cc1 ZINC000169307996 JH Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccc(Br)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308360 JH Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308362 JH Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(-c4cnn(C)c4)c(=O)c3c2)c1Cl ZINC000169308825 JH Annotated Anodyne CCCC(=O)N1CC(=O)/C(=C(\CC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)NCCCN2CCOCC2)C1=O ZINC000169309182 JH Annotated Mild C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1 ZINC000169309313 JH Annotated Anodyne COC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@@H](C(=O)OC)C(O)=C2[C@@H]1c1ccccn1 ZINC000169310157 JH Annotated Anodyne COC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@H](C(=O)OC)C(O)=C2[C@@H]1c1ccccn1 ZINC000169310158 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C/N=C(\S)Nc5cccc(Cl)c5)(O4)[C@@H]3C2=O)cc1 ZINC000169311075 JH Annotated Mild Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C/N=C(\S)Nc5cccc(Cl)c5)(O4)[C@@H]3C2=O)cc1 ZINC000169311078 JH Annotated Mild CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cn2)c1 ZINC000169311684 JH Annotated Anodyne CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1 ZINC000169311685 JH Annotated Anodyne NC[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000169312793 JH Annotated Anodyne NC[C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)C(=O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000169312795 JH Annotated Anodyne C=CC(=O)OC1=C(C(C)=O)[C@@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169313183 JH Annotated Mild C=CC(=O)OC1=C(C(C)=O)[C@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169313184 JH Annotated Mild CCCCC[C@@H](CC)CNC(=N)NC(=N)NCCCCNC(=N)NC(=N)NC[C@@H](CC)CCCC ZINC000169314957 JH Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCO)ccc12 ZINC000169318142 JH Annotated Clean CNC(=O)COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 ZINC000169318145 JH Annotated Clean C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2ccc(Br)cc2)CC(=O)O1 ZINC000169318568 JH Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2ccc(Br)cc2)CC(=O)O1 ZINC000169318571 JH Annotated Anodyne COC(=O)/C(=C/C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4)CCC(C)C ZINC000169319051 JH Annotated Anodyne C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@@H](OC(C)=O)/C=C\[C@](C)(O)C[C@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169322663 JH Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@@H](OC(C)=O)/C=C\[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169322665 JH Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@@H](OC(C)=O)/C=C/[C@](C)(O)C[C@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169322668 JH Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@@H](OC(C)=O)/C=C/[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169322671 JH Annotated Mild Cc1cc(C)cc(C(=O)O[C@@H]2C=C[C@@H](n3ccc(=O)n(C(=O)c4cc(C)cc(C)c4)c3=O)C2)c1 ZINC000169324098 JH Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@H]2C=C[C@@H](n3ccc(=O)n(C(=O)c4cc(C)cc(C)c4)c3=O)C2)c1 ZINC000169324099 JH Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@@H]2C=C[C@H](n3ccc(=O)n(C(=O)c4cc(C)cc(C)c4)c3=O)C2)c1 ZINC000169324100 JH Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@H]2C=C[C@H](n3ccc(=O)n(C(=O)c4cc(C)cc(C)c4)c3=O)C2)c1 ZINC000169324103 JH Annotated Anodyne COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)s2)cc1 ZINC000169324298 JH Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@](OC(=O)CCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169324576 JH Annotated Reactive COC(=O)/C=C1/S/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)N(c2ccc(F)c(Cl)c2)C1=O ZINC000169324807 JH Annotated Mild CC[C@H](C)[C@H](NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)c1nc(C(=O)OC)cs1 ZINC000169325377 JH Annotated Anodyne Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169325441 JH Annotated Clean Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(Cl)c4)c3C#N)C2)c(=O)[nH]c1=O ZINC000169325528 JH Annotated Mild COc1cccc(-c2nc3ccc(Br)cn3c2NCCN2CCOCC2)c1OC ZINC000169326062 JH Annotated Anodyne O=C(O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nccs4)CC3)ccc2c1=O ZINC000169326077 JH Annotated Anodyne O=C1[C@H]2ON(c3ccccc3)[C@H](c3coc4ccc(F)cc4c3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000169327154 JH Annotated Anodyne O=C1O/C(=C\Cn2cc(CCCCO)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169327677 JH Annotated Anodyne O=C(O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4ccccn4)CC3)ccc2c1=O ZINC000169327923 JH Annotated Anodyne O=C1N[C@@](O)(CCn2cc(-c3ccccc3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328377 JH Annotated Anodyne O=C1N[C@](O)(CCn2cc(-c3ccccc3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328380 JH Annotated Anodyne O=C1N[C@@](O)(CCn2cc(Cc3ccccc3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328389 JH Annotated Anodyne O=C1N[C@](O)(CCn2cc(Cc3ccccc3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328390 JH Annotated Anodyne CCC[C@@H](C)CN1CCC(c2cccc(C(N)=O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1 ZINC000169328534 JH Annotated Anodyne CCC[C@H](C)CN1CCC(c2cccc(C(N)=O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1 ZINC000169328536 JH Annotated Anodyne Cc1[nH]n(-c2ccccc2[N+](=O)[O-])c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169328943 JH Annotated Clean Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169328953 JH Annotated Clean Cc1cc2c(Oc3cnc(C(=O)N4CC(C)(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1 ZINC000169329213 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000169329773 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000169329776 JH 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)c2cc[n+]([O-])cc2)[C@@]13C(=O)O ZINC000169329779 JH Annotated Mild Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330019 JH Annotated Clean CC1=CC(=O)[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169330256 JH Annotated Mild CC1=CC(=O)[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@@H]3C[C@@H]4C[C@@]12C[C@@]4(C)O3 ZINC000169330260 JH Annotated Mild O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)OCc3cccc(Cl)c3)cc2)o1 ZINC000169330379 JH Annotated Clean N#CC1(c2cnccn2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000169331367 JH Annotated Mild N#CC1(c2cccnn2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000169331368 JH Annotated Mild CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CN2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000169331712 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000169331713 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000169331987 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000169331989 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000169331991 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000169331992 JH Annotated Anodyne C/C=C/C=C\C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@@H]1[C@H]([C@]1(C)OC(=O)C(C)=C1O)[C@H]2C(=O)/C=C/C=C/C ZINC000169332123 JH Annotated Mild C/C=C/C=C\C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]([C@]1(C)OC(=O)C(C)=C1O)[C@H]2C(=O)/C=C/C=C/C ZINC000169332126 JH Annotated Mild COc1cc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc(OC)c1 ZINC000169333755 JH Annotated Anodyne COc1cc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc(OC)c1 ZINC000169333757 JH Annotated Anodyne NC1=N[C@](c2ccc(OC(F)F)cc2)(c2cccc(OCCF)c2)C2=NCC(F)(F)CN12 ZINC000169334545 JH Annotated Anodyne Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000169334567 JH Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(cccc3[N+](=O)[O-])C2=O)c1 ZINC000169334573 JH Annotated Mild CC(C)Oc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000169336111 JH Annotated Clean COCCOCO[C@@H]1/C=C\[C@@H](OC(C)=O)[C@@H](OC(C)=O)/C=C\[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000169337150 JH Annotated Anodyne COCCOCO[C@@H]1/C=C/[C@@H](OC(C)=O)[C@@H](OC(C)=O)/C=C\[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000169337152 JH Annotated Anodyne COCCOCO[C@@H]1/C=C/[C@@H](OC(C)=O)[C@@H](OC(C)=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000169337154 JH Annotated Anodyne CCN(CC)CCN1C(=O)N(CCN(CC)CC)C(c2ccccc2)(c2ccccc2)C1=O ZINC000169337340 JH Annotated Anodyne C=C1CO[C@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@@](O)(CO)C[C@@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000169339378 JH Annotated Mild C=C1CO[C@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@@](O)(CO)C[C@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000169339380 JH Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000169340825 JH Annotated Anodyne CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000169340827 JH Annotated Anodyne CCN1CCN(C2=C(Nc3ccc(I)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000169340842 JH Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2Br)C1 ZINC000169340872 JH Annotated Anodyne C/C(=N\OCC(=O)O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)c1 ZINC000169340916 JH Annotated Mild COc1ccc(C2=Nc3ccccc3N(C(=O)c3cnccn3)[C@@H]2C(=O)NC2CCCC2)cc1 ZINC000169340922 JH Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cnccn3)[C@H]2C(=O)NC2CCCC2)cc1 ZINC000169340924 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169340978 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169340981 JH Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2CCN2CCOCC2)cc1OCC ZINC000169341522 JH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000169341544 JH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169341549 JH Annotated Bother C[C@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169341550 JH Annotated Bother C[C@@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169341551 JH Annotated Bother C[C@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169341553 JH Annotated Bother CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2Br)C1 ZINC000169341613 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccc(Cl)cc31)[C@@H]1CCCN12 ZINC000169342082 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccc(Cl)cc31)[C@H]1CCCN12 ZINC000169342084 JH Annotated Anodyne COC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 ZINC000169342743 JH Annotated Anodyne COc1cc(C(=O)N[C@H](c2nc(C(=O)NCCc3ccccn3)cs2)C(C)C)cc(OC)c1OC ZINC000169343813 JH Annotated Anodyne CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)nc4)cc3)CC2)n1 ZINC000169344387 JH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCC1(COC1)CO2 ZINC000169346006 JH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(OCC3(CC3)CO2)C(=O)C1 ZINC000169346007 JH Annotated Anodyne CN1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)OC1=O ZINC000169346009 JH Annotated Anodyne Cc1ccc(OCc2cn(CCCOc3ccc(/C=N/NC(=O)c4ccncc4)cc3)nn2)cc1 ZINC000169346150 JH Annotated Reactive CN1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CC1=O ZINC000169346691 JH Annotated Anodyne CC(C)Oc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000169346741 JH Annotated Clean CC(C)Oc1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1NC(=O)c1cnccn1 ZINC000169346744 JH Annotated Clean CC(C)Oc1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000169346747 JH Annotated Mild COc1cc(/C=C/C(=O)NCCn2c(C)c(CN(C)C)c3ccccc32)cc(OC)c1OC ZINC000169347569 JH Annotated Anodyne COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OCCO ZINC000169348254 JH Annotated Anodyne CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CCC ZINC000169348404 JH Annotated Mild COc1ccc2c(c1OC)OCc1sc(N/N=C(\Cc3ccccc3[N+](=O)[O-])C(=O)O)nc1-2 ZINC000169348608 JH Annotated Mild COc1ccc2c(c1OC)OCc1sc(N/N=C(/Cc3ccccc3[N+](=O)[O-])C(=O)O)nc1-2 ZINC000169348610 JH Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](CC[C@@H](NC(C)=O)[C@]2(C)O)[C@](C)(CCC2=CC(=O)OC2)[C@@H]1C ZINC000169348827 JH Annotated Anodyne CCOC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2cccc(-c3ccc(C#N)cc3)n2)NC(=O)N1 ZINC000169349022 JH Annotated Mild Cc1c(O)ccc2c(OS(C)(=O)=O)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349082 JH Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=C[C@H](O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000169349655 JH Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccc5ccccc5c4)nn3)CC(=O)[C@@]21C ZINC000169349670 JH Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5C(=O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)/C=C/c1ccccc1 ZINC000169350102 JH Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(I)cc1 ZINC000169350242 JH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(I)cc1 ZINC000169350244 JH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169350966 JH Annotated Bother C[C@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169350968 JH Annotated Bother C[C@@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169350969 JH Annotated Bother C[C@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169350973 JH Annotated Bother CN1C/C(=C/c2ccc(N(C)C)cc2[N+](=O)[O-])C(=O)/C(=C/c2ccc(N(C)C)cc2[N+](=O)[O-])C1 ZINC000169352059 JH Annotated Mild C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169352112 JH Annotated Clean C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169352116 JH Annotated Clean CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cccs1)C(=O)O ZINC000169352693 JH Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccsc1)C(=O)O ZINC000169352694 JH Annotated Anodyne CC(C)CN(NC(=O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)c1ccnc(C#N)n1 ZINC000169352984 JH Annotated Reactive CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C ZINC000169353955 JH Annotated Mild COC(=O)C[C@@H]1c2ccccc2C2=C(C[C@@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000169354601 JH Annotated Anodyne COC(=O)C[C@H]1c2ccccc2C2=C(C[C@@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000169354602 JH Annotated Anodyne COC(=O)C[C@@H]1c2ccccc2C2=C(C[C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000169354603 JH Annotated Anodyne COC(=O)C[C@H]1c2ccccc2C2=C(C[C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000169354604 JH Annotated Anodyne CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(C5=CC[C@@H]6OCCO[C@@H]6C5)ccc4c3=O)cn2)C1 ZINC000169354713 JH Annotated Anodyne CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(C5=CC[C@@H]6OCCO[C@@H]6C5)ccc4c3=O)cn2)C1 ZINC000169354714 JH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000169355574 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000169355575 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C ZINC000169355576 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C ZINC000169355577 JH Annotated Mild CCOC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169355859 JH Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169355860 JH Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169355861 JH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000169356163 JH Annotated Bother COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000169356164 JH Annotated Bother CCCCCCCCO[C@H]1O[C@@H]2COC(=O)CC/C=C\CCC(=O)O[C@H]2[C@H](OC)[C@H]1OC ZINC000169356667 JH Annotated Mild CCOC(=O)[C@@H](C)N1[C@@H](C)[C@@H](c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000169358199 JH Annotated Anodyne CCOC(=O)[C@H](C)N1[C@@H](C)[C@@H](c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000169358200 JH Annotated Anodyne O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(OCCN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000169360168 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@@H]2C[C@@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000169361387 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@H]2C[C@@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000169361388 JH Annotated Anodyne C[C@H]1C/C=C\Cc2cccc(O)c2C(=O)O[C@@H](C/C=C/NC(=O)C#Cc2ccccc2)C[C@H]1O ZINC000169361489 JH Annotated Mild CC(C)N1CCC[C@@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362187 JH Annotated Anodyne CC(C)N1CCC[C@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362189 JH Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169363635 JH Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(=O)c2ccccc2)[C@@H]1O ZINC000169363811 JH Annotated Mild C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(=O)c1ccccc1 ZINC000169363812 JH Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(=O)c2ccc(OC)cc2)[C@@H]1O ZINC000169363813 JH Annotated Mild C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(=O)c1ccc(OC)cc1 ZINC000169363814 JH Annotated Mild C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169363847 JH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169363848 JH Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)O[C@@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169363849 JH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)O[C@@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169363850 JH Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)CCCC/C=C\C=C/[C@@H]1C ZINC000169363870 JH Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)CCCC/C=C\C=C\[C@@H]1C ZINC000169363871 JH Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)CCCC/C=C/C=C/[C@@H]1C ZINC000169363872 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000169365102 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000169365103 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000169365104 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000169365105 JH Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000169366629 JH Annotated Mild C=C1[C@@H]2[C@H](CC/C(C)=C\C[C@H]1O)C([C@@H](C[C@@H](OC(C)=O)C(=C)C)OC(C)=O)=CO[C@@H]2OC(C)=O ZINC000169368707 JH Annotated Mild C=C1[C@@H]2[C@H](CC/C(C)=C\C[C@H]1O)C([C@H](C[C@@H](OC(C)=O)C(=C)C)OC(C)=O)=CO[C@@H]2OC(C)=O ZINC000169368708 JH Annotated Mild C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169368847 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169368849 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000169368851 JH Annotated Anodyne C/C(=C\c1csc(C)n1)[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC/C=C/[C@@H]1O ZINC000169369665 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\C[C@@H](O)CC[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169370485 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C[C@@H](O)CC[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169370487 JH Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\C[C@@H](O)CC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000169370489 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000169370490 JH Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370538 JH Annotated Anodyne CN1CCN(CC(=O)N[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370539 JH Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C\C[C@H](CO)C[C@H](C)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169370699 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C\C[C@H](CO)C[C@H](C)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169370700 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](CO)C[C@H](C)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169370701 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000169372874 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000169372875 JH 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)c2cc(C(=O)O)[nH]n2)[C@@]13C(=O)O ZINC000169372876 JH Annotated Mild C/C1=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O[C@@H]([C@H](C)/C=C(\C)C=O)C1 ZINC000169373612 JH Annotated Reactive C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169373613 JH Annotated Reactive C/C1=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O[C@@H]([C@H](C)/C=C(\C)C=O)C1 ZINC000169373614 JH Annotated Reactive C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169373615 JH Annotated Reactive O=C1C[C@@H]2CC(=O)c3c(O)cc(O)cc3[C@]23C(=C2C=CC(=O)c4c(O)cc(O)c3c42)c2cccc(O)c21 ZINC000169472632 JH Annotated Mild CC(=O)OC[C@@]12CC[C@@H]3[C@@](C)(COC(C)=O)[C@H](OC(C)=O)C(=O)C[C@]3(C)[C@@H]1CCc1cocc12 ZINC000169608942 JH Annotated Anodyne CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3[C@H](COC(=O)C(c3ccccc3)c3ccccc3)O[C@@H]2O1 ZINC000169615591 JH Annotated Anodyne CC1(C)O[C@@H]2O[C@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000169615592 JH Annotated Anodyne CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3[C@@H](COC(=O)C(c3ccccc3)c3ccccc3)O[C@@H]2O1 ZINC000169615593 JH Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000169615594 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000169638173 JH Annotated Anodyne COC(=O)C[C@@H]1[C@@]2(C)C(=O)C=C[C@@]3(C)C(=O)O[C@@H]([C@H]4O[C@]5(C)C(c6ccoc6)=CC[C@@H]5[C@]41C)[C@@H]32 ZINC000169662369 JH Annotated Mild CCCC(=O)O[C@]1(C)CCC(=O)[C@@H](C)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]1C(C)C ZINC000169668233 JH Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@H]1CC[C@@](C)([C@@H](O)c2ccoc2)[C@]2(O)CC(=O)O[C@]12C ZINC000169670063 JH Annotated Mild CN(c1ccccn1)S(=O)(=O)c1ccc(/N=C/[C@@H]2C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000169685160 JH Annotated Mild CN(c1ccccn1)S(=O)(=O)c1ccc(/N=C/[C@H]2C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000169685161 JH Annotated Mild C[C@@]12CC[C@@H](C[C@@H](n3c(=O)c(C(=O)NCC(=O)O)nc4ccccc43)C1)N2C1CCCCCCC1 ZINC000169685512 JH Annotated Anodyne COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(=N)[C@@H](C#N)[C@@H]1c1ccccc1F ZINC000169686327 JH Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cn4ncc(Cl)cc4n3)c2)c2cncnc21 ZINC000169686432 JH Annotated Anodyne Cc1c(C(=O)NCCO)sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12 ZINC000169686602 JH Annotated Mild Cc1c(C(=O)NCCO)sc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CC3(F)F)c12 ZINC000169686608 JH Annotated Anodyne Cc1c(C(=O)NCCO)sc2ncnc(Nc3ccc(F)cc3OC[C@H]3CC3(F)F)c12 ZINC000169686609 JH Annotated Anodyne CCC[C@@H]1[C@H]2[C@@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C ZINC000169687036 JH Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000169687235 JH Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000169687236 JH Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000169687237 JH Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000169687238 JH Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169687243 JH Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169687244 JH Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169687245 JH Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169687246 JH Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169687249 JH Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169687250 JH Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169687251 JH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1ccc(O)cc1)c1c2c(O)n(-c2ccc(F)cc2)c1O ZINC000169687994 JH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)cc1)c1c2c(O)n(-c2ccc(F)cc2)c1O ZINC000169687995 JH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1ccc(O)cc1)c1c2c(O)n(-c2ccc(F)cc2)c1O ZINC000169687996 JH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@]12N[C@H](Cc1ccc(O)cc1)c1c2c(O)n(-c2ccc(F)cc2)c1O ZINC000169687997 JH Annotated Anodyne O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)c1c2c(O)n(-c2ccc(F)cc2)c1O ZINC000169687998 JH Annotated Anodyne COc1ccc(-n2c(O)c(CC(=O)Nc3ccc(F)cc3)n(CCc3cccs3)c2=O)cc1 ZINC000169688060 JH Annotated Anodyne COc1ccc(C(=O)C/C=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC ZINC000169688172 JH Annotated Mild COc1cccc([C@@H]2[C@H](C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169688265 JH Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169688266 JH Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169688267 JH Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC ZINC000169688268 JH Annotated Anodyne O=C(O)c1ccccc1/N=N/Cc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O ZINC000169688602 JH Annotated Clean O=c1[nH]c(=S)n(-c2ccc(Br)cc2)c(O)c1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000169688685 JH Annotated Mild COc1cc(Br)c([C@@H]2c3c(-c4cccnc4)n[nH]c3OC(=N)[C@@H]2C#N)cc1OC ZINC000169689087 JH Annotated Mild COc1cc(Br)c([C@H]2c3c(-c4cccnc4)n[nH]c3OC(=N)[C@@H]2C#N)cc1OC ZINC000169689088 JH Annotated Mild Cc1cccc(-n2c(O)c(/C=N/c3ccccc3-c3n[nH]c(=S)[nH]c3=O)c3ccccc3c2=O)n1 ZINC000169689155 JH Annotated Mild Cc1cccc(NC(=O)C2=C(N)[C@@H](C(=O)N3CCOCC3)/C(=N/c3c(C)cccc3C)S2)c1 ZINC000169689203 JH Annotated Mild Cc1cccc(NC(=O)C2=C(N)[C@H](C(=O)N3CCOCC3)/C(=N/c3c(C)cccc3C)S2)c1 ZINC000169689204 JH Annotated Mild O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(Cl)c2)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169689214 JH Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(Cl)c2)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169689215 JH Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169689216 JH Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169689217 JH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000169689253 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000169689254 JH Annotated Anodyne O=C(N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)c2ccccc12)[C@@H]1COc2ccccc2O1 ZINC000169689475 JH Annotated Reactive O=C(N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)c2ccccc12)[C@H]1COc2ccccc2O1 ZINC000169689476 JH Annotated Reactive CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3c(C)[nH]n(-c4ccc(C)cc4)c3=O)cc2)s1 ZINC000169689733 JH Annotated Mild CSc1nnc(-c2cc(Br)ccc2/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 ZINC000169689777 JH Annotated Mild CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=S)N=C(c3ccccc3)[C@@H]2C(C)=O)cc1OC ZINC000169689898 JH Annotated Anodyne CCOC(=O)COc1c(Cl)cc([C@H]2NC(=S)N=C(c3ccccc3)[C@@H]2C(C)=O)cc1OC ZINC000169689899 JH Annotated Anodyne CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=S)N=C(c3ccccc3)[C@H]2C(C)=O)cc1OC ZINC000169689900 JH Annotated Anodyne CCOC(=O)COc1c(Cl)cc([C@H]2NC(=S)N=C(c3ccccc3)[C@H]2C(C)=O)cc1OC ZINC000169689901 JH Annotated Anodyne COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc4c(c2)OCO4)[C@@H](C#N)C(=N)O3)cc1OC ZINC000169690130 JH Annotated Mild COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc4c(c2)OCO4)[C@@H](C#N)C(=N)O3)cc1OC ZINC000169690131 JH Annotated Mild COc1cc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000169690236 JH Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000169690237 JH Annotated Anodyne COC(=O)c1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000169690255 JH Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000169690256 JH Annotated Anodyne CN1C[C@@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000169690436 JH Annotated Clean N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1 ZINC000169690987 JH Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1 ZINC000169690988 JH Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169690993 JH Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169690994 JH Annotated Mild COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)N2CCOCC2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169691005 JH Annotated Mild COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)N2CCOCC2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169691006 JH Annotated Mild Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)c2c1c(O)n(-c1ccc(Cl)cc1)c2O ZINC000169691123 JH Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)c2c1c(O)n(-c1ccc(Cl)cc1)c2O ZINC000169691124 JH Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)c2c1c(O)n(-c1ccc(Cl)cc1)c2O ZINC000169691125 JH Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)c2c1c(O)n(-c1ccc(Cl)cc1)c2O ZINC000169691126 JH Annotated Anodyne C[C@@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000169691591 JH Annotated Clean C[C@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000169691592 JH Annotated Clean CCN(CC)S(=O)(=O)c1ccc2c(c1)C(N=O)c1cc(S(=O)(=O)N(CC)CC)ccc1-2 ZINC000169691695 JH Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169691988 JH Annotated Mild COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169691989 JH Annotated Mild O=C(O)CC[C-](/N=N/c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccs1 ZINC000169693119 JH Annotated Clean O=C1C(=O)N(CCCO)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccc(Br)cc1 ZINC000169693126 JH Annotated Anodyne O=C1C(=O)N(CCCO)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000169693128 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1C/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000169693267 JH Annotated Clean O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)C(=O)N(CC2CC2)[C@@H]1c1cccc2c1OCO2 ZINC000169693715 JH Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C(=O)C(=O)N(CC2CC2)[C@@H]1c1cccc2c1OCO2 ZINC000169693716 JH Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)C(=O)N(CC2CC2)[C@H]1c1cccc2c1OCO2 ZINC000169693717 JH Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C(=O)C(=O)N(CC2CC2)[C@H]1c1cccc2c1OCO2 ZINC000169693718 JH Annotated Anodyne O=C(/N=C1\Nc2ccc(Br)c[n+]2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169693777 JH Annotated Mild CCOC(=O)N=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694327 JH Annotated Anodyne CCOC(=O)N=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694328 JH Annotated Anodyne CCOC(=O)N=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694339 JH Annotated Anodyne CCOC(=O)N=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694340 JH Annotated Anodyne CC1(c2nc(-c3ccnc(NCCC#N)n3)c(-c3cccc(NS(C)(=O)=O)c3Cl)[nH]2)CC1 ZINC000169694677 JH Annotated Mild CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169694950 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169694951 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000169694952 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000169694953 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695015 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695016 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695017 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695018 JH Annotated Anodyne COc1ccccc1[C@@H]1[C@@H]2C(=O)C(C)(C)CO[C@@]2(O)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000169695035 JH Annotated Anodyne COc1ccccc1[C@H]1[C@@H]2C(=O)C(C)(C)CO[C@@]2(O)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000169695036 JH Annotated Anodyne COc1ccccc1[C@H]1[C@H]2C(=O)C(C)(C)CO[C@@]2(O)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000169695037 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1S(C)(=O)=O ZINC000169695055 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1S(C)(=O)=O ZINC000169695056 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1S(C)(=O)=O ZINC000169695057 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1S(C)(=O)=O ZINC000169695058 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695121 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695122 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695123 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695124 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695125 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695126 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695127 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695128 JH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695141 JH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695142 JH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695143 JH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695144 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695145 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695146 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695147 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695148 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695163 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695164 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695165 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695166 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695206 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695207 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695208 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169695209 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cc[nH]c3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695222 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cc[nH]c3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695223 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cc[nH]c3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695224 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cc[nH]c3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695225 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695259 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695260 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695261 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695262 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695287 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695288 JH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695289 JH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695290 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695295 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695296 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695297 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695298 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000169695339 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000169695340 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000169695341 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000169695342 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCC(=O)O ZINC000169695363 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCC(=O)O ZINC000169695364 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCC(=O)O ZINC000169695365 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCC(=O)O ZINC000169695366 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695467 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695468 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695469 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695470 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695487 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695488 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695489 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695490 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695616 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695617 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695618 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695619 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695620 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695621 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695622 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169695623 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695624 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695625 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695626 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695627 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695628 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695629 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695630 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695631 JH Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(I)cc1 ZINC000169695640 JH Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(I)cc1 ZINC000169695641 JH Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(I)cc1 ZINC000169695642 JH Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(I)cc1 ZINC000169695643 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695696 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695697 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695698 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695699 JH Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695749 JH Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695750 JH Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695751 JH Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695752 JH Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695769 JH Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695770 JH Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695771 JH Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695772 JH Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695797 JH Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695798 JH Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695799 JH Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695800 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695878 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695879 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695880 JH Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)on1 ZINC000169695881 JH Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695966 JH Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695967 JH Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695968 JH Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695969 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696204 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696205 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696206 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696207 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)o1 ZINC000169696325 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)o1 ZINC000169696326 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)o1 ZINC000169696327 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)o1 ZINC000169696328 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCO)cc2)o1 ZINC000169696345 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3cccnc3OCCO)cc2)o1 ZINC000169696346 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCO)cc2)o1 ZINC000169696347 JH Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3cccnc3OCCO)cc2)o1 ZINC000169696348 JH Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696377 JH Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696378 JH Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696379 JH Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696380 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](S(=O)(=O)c4ccccc4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000169696409 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](S(=O)(=O)c4ccccc4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000169696410 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](S(=O)(=O)c4ccccc4)[C@H]3C3CCCCC3)cc2)no1 ZINC000169696411 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](S(=O)(=O)c4ccccc4)[C@H]3C3CCCCC3)cc2)no1 ZINC000169696412 JH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696453 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696454 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696455 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696456 JH Annotated Mild COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696493 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696494 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696495 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696496 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696531 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696532 JH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696533 JH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696534 JH Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696567 JH Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696568 JH Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696569 JH Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696570 JH Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696579 JH Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696580 JH Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696581 JH Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696582 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696599 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696600 JH Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696601 JH Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696602 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCCO ZINC000169696655 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCCO ZINC000169696656 JH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCCO ZINC000169696657 JH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCCO ZINC000169696658 JH Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696799 JH Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(N)=O)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696828 JH Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696882 JH Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696883 JH Annotated Anodyne CNC(=O)C(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696896 JH Annotated Anodyne O=C(CC1(O)CCOCC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697208 JH Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N(C)C(C)C)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000169697486 JH Annotated Mild COC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1 ZINC000169699238 JH Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(CC(F)F)c3N3CCC[C@@H](O)CC3)c(N)s2)c1 ZINC000169699274 JH Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(CC(F)F)c3N3CCC[C@H](O)CC3)c(N)s2)c1 ZINC000169699275 JH Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(C4CC4)c3F)sc2N)c1N1CCC[C@@H](N)CC1 ZINC000169699282 JH Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C4CC4)c3N3CC[C@H](F)[C@H](N)CC3)c(N)s2)c1 ZINC000169699378 JH Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C4CC4)c3N3CC[C@H](N)[C@@H](F)CC3)c(N)s2)c1 ZINC000169699379 JH Annotated Anodyne Nc1sc(-c2cc(F)ccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CC[C@H](F)[C@H](N)CC1 ZINC000169699385 JH Annotated Anodyne Nc1sc(-c2cc(F)ccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CC[C@H](N)[C@@H](F)CC1 ZINC000169699386 JH Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@](C)(N)CC(F)(F)C1 ZINC000169699536 JH Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@](C)(N)CC(F)(F)C1 ZINC000169699537 JH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@H](c2c(O)c(OCC)cc(Br)c2Br)N1 ZINC000169699724 JH Annotated Clean CCOC(=O)[C@H]1CS[C@@H](c2c(O)c(OCC)cc(Br)c2Br)N1 ZINC000169699725 JH Annotated Clean CCOC(=O)[C@@H]1CS[C@H](c2c(O)c(OCC)cc(Br)c2Br)N1 ZINC000169699726 JH Annotated Clean CCOC(=O)[C@H]1CS[C@H](c2c(O)c(OCC)cc(Br)c2Br)N1 ZINC000169699727 JH Annotated Clean Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000169700054 JH Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NS(=O)(=O)O)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000169700275 JH Annotated Anodyne COCCOc1ccc2c(c1)[C@@]1(CC(=N)N(CC(F)(F)F)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700451 JH Annotated Anodyne COCCOc1ccc2c(c1)[C@]1(CC(=N)N(CC(F)(F)F)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700452 JH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000169700455 JH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@]21N=C(N)N(CC(F)(F)F)C1=O ZINC000169700456 JH Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](C)NC3=NC=N[C@@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F ZINC000169700735 JH Annotated Reactive COc1ccc(C(=O)Nc2cccc([C@H](C)NC3=NC=N[C@@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F ZINC000169700736 JH Annotated Reactive COc1ccc(C(=O)Nc2cccc([C@@H](C)NC3=NC=N[C@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F ZINC000169700737 JH Annotated Reactive COc1ccc(C(=O)Nc2cccc([C@H](C)NC3=NC=N[C@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F ZINC000169700738 JH Annotated Reactive Cc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CC[C@@]2(CCOC2)C1 ZINC000169701426 JH Annotated Anodyne Cc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CC[C@]2(CCOC2)C1 ZINC000169701427 JH Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4cc(F)c(Cl)cc4n3)C2)cc1F ZINC000169701461 JH Annotated Anodyne C[C@@H](Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cc1)C(F)(F)F ZINC000169701641 JH Annotated Anodyne CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2Cl)CC3)n1 ZINC000169702274 JH Annotated Anodyne CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(OC(F)F)cc2)CC3)n1 ZINC000169702307 JH Annotated Anodyne CCOc1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2 ZINC000169702630 JH Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ccc(Cl)cn5)cc4s3)o2)CC1 ZINC000169702912 JH Annotated Mild Cc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000169703410 JH Annotated Mild Cc1ncn(-c2ccc(C#N)nc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C2(C)CCC2)n1 ZINC000169703411 JH Annotated Mild CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](O)CC3)c2)c2nccc(-n3ccnc3)c12 ZINC000169703471 JH Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2Cl)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703507 JH Annotated Anodyne C=Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703509 JH Annotated Anodyne CCNc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc1C(N)=O ZINC000169703515 JH Annotated Anodyne CCNc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703523 JH Annotated Anodyne Cc1c(C(N)=O)ccc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)c1C ZINC000169703531 JH Annotated Anodyne Cc1c(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc(C(N)=O)c1F ZINC000169703532 JH Annotated Anodyne CCc1c(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc(C(N)=O)c1F ZINC000169703533 JH Annotated Anodyne CCNc1c(C(N)=O)ccc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)c1C ZINC000169703534 JH Annotated Anodyne COc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21 ZINC000169703544 JH Annotated Anodyne CC(C)c1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(CCO)c5)c4)ccnc32)ccc1C(N)=O ZINC000169703551 JH Annotated Anodyne CCc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703558 JH Annotated Anodyne CCNc1cc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc1C(N)=O ZINC000169703564 JH Annotated Anodyne CC(C)n1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3N)cn2)cn1 ZINC000169703588 JH Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCS(=O)(=O)CC4)n3)c(Cl)cn2)CC1 ZINC000169703801 JH Annotated Anodyne CC(C)(/N=C/[C@@H](C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)C(N)=O ZINC000169704624 JH Annotated Mild CC(C)(/N=C/[C@H](C=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)C(N)=O ZINC000169704625 JH Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncc(F)c(NCCO)n4)ccn23)c1 ZINC000169704634 JH Annotated Anodyne COc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N ZINC000169704641 JH Annotated Anodyne NCCNc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704650 JH Annotated Anodyne NC(=O)c1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704673 JH Annotated Anodyne CNC(=O)c1cc(C)nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704685 JH Annotated Anodyne Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1CN1CCC1 ZINC000169704708 JH Annotated Anodyne CN(C)Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N ZINC000169704709 JH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCO)s4)ccn23)c1 ZINC000169704711 JH Annotated Anodyne COC(=O)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704732 JH Annotated Anodyne CC(=O)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N ZINC000169704752 JH Annotated Anodyne CNc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1N ZINC000169704757 JH Annotated Anodyne COCc1cc(N)nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704765 JH Annotated Anodyne Cn1ccc(C2CN(c3ncnc4c3c(-c3cnn(C)c3-c3ccc(Cl)c(F)c3)nn4C)C2)n1 ZINC000169706085 JH Annotated Anodyne Cn1ncc(-c2nn(C)c3ncnc(N4CC(c5ccno5)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706099 JH Annotated Anodyne Cn1ccc(C2CN(c3ncnc4c3c(-c3cnn(C)c3-c3ccc(C5CC5)cc3)nn4C)C2)n1 ZINC000169706104 JH Annotated Anodyne CCc1nn(Cc2cnn([C@H]3CCNC[C@H]3F)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000169706556 JH Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5cncn5)ccn34)c12 ZINC000169706579 JH Annotated Anodyne CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnn(C)c5)ccn34)c12 ZINC000169706582 JH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(CCc3ccccc3)n2)CN1 ZINC000169707047 JH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707086 JH Annotated Anodyne COc1cccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707102 JH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2F)n1 ZINC000169707106 JH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccc(F)cc3F)n2)CN1 ZINC000169707122 JH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CCC(F)(F)F)n1 ZINC000169707132 JH Annotated Anodyne Cc1cc(F)ccc1-n1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1cccc(OC(F)(F)F)c1 ZINC000169707135 JH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OCC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707145 JH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OCC(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000169707150 JH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(-c2ccc(F)cc2)n1 ZINC000169707151 JH Annotated Anodyne Cc1ccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(OCC(F)(F)F)c2)cc1 ZINC000169707155 JH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(-c2cccc(F)c2)n1 ZINC000169707157 JH Annotated Anodyne Cc1ccccc1-n1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1cccc(OCC(F)(F)F)c1 ZINC000169707161 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OCCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707192 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707196 JH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707197 JH Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)O1 ZINC000169707218 JH Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)N1 ZINC000169707276 JH Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707287 JH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCCOC)c2)c1 ZINC000169707324 JH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OCCOC)c2)c1 ZINC000169707331 JH Annotated Anodyne COc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)ccc1F ZINC000169707337 JH Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(O)c2)c1)C(F)(F)F ZINC000169707349 JH Annotated Anodyne COc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707350 JH Annotated Anodyne COc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707354 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707376 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707379 JH Annotated Anodyne COc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1F ZINC000169707384 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707395 JH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCC3(C)COC3)c2)c1 ZINC000169707398 JH Annotated Anodyne COc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707418 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(COCC(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707422 JH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(COCC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707423 JH Annotated Anodyne COc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707427 JH Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707445 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(-c4ccccn4)n3)c2)c2cncnc21 ZINC000169707650 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nccnc4c3)c2)c2cncnc21 ZINC000169707651 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnc4cccnc4c3)c2)c2cncnc21 ZINC000169707652 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4onc(N)c4c3)c2)c2cncnc21 ZINC000169707653 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cncc(OC4CC4)c3)c2)c2cncnc21 ZINC000169707660 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4cc(F)ccc4n3)c2)c2cncnc21 ZINC000169707663 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4cc(F)ccc43)c2)c2cncnc21 ZINC000169707664 JH Annotated Anodyne Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707665 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4cccc(F)c4n3)c2)c2cncnc21 ZINC000169707669 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4cccc(F)c43)c2)c2cncnc21 ZINC000169707675 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nnc4cc(Cl)ccc43)c2)c2cncnc21 ZINC000169707683 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2)c2cncnc21 ZINC000169707687 JH Annotated Bother COc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707692 JH Annotated Anodyne Cc1cccc2ncn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c12 ZINC000169707694 JH Annotated Anodyne CCc1nc2cccnc2n1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707698 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cncc(Br)c3)c2)c2cncnc21 ZINC000169707706 JH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)ccc3C(F)(F)F)c2)c2cncnc21 ZINC000169707718 JH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)c(F)c3)c2)c2cncnc21 ZINC000169707725 JH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cccc(OC(F)(F)F)c3)c2)c2cncnc21 ZINC000169707727 JH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3F)c2)c2cncnc21 ZINC000169707743 JH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)c2)c2cncnc21 ZINC000169707747 JH Annotated Anodyne Cn1cc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)C)c4ncncc34)c2)c(C2CC2)n1 ZINC000169707758 JH Annotated Anodyne C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707759 JH Annotated Anodyne C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707760 JH Annotated Anodyne CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707783 JH Annotated Anodyne CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4cccnc4c3)c2)c2cncnc21 ZINC000169707785 JH Annotated Anodyne C[C@@H](C(=O)N(C)C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707788 JH Annotated Anodyne C[C@H](C(=O)N(C)C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707789 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4ocnc4c3)c2)c2cnc(N)nc21 ZINC000169707806 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CN4CC(F)C4)c3)c2)c2cncnc21 ZINC000169707824 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CN4CCOCC4)c3)c2)c2cncnc21 ZINC000169707825 JH Annotated Anodyne CC1(n2cc(C(=O)c3cncc(NC(=O)Cc4ccc(Cl)cc4)c3)c3cncnc32)COC1 ZINC000169707860 JH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)COc3ccccc3OC(F)(F)F)c2)c2cncnc21 ZINC000169707872 JH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cnc(Cl)c3Cl)c2)c2cncnc21 ZINC000169707897 JH Annotated Anodyne Cc1cc(C(F)F)n2nc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2n1 ZINC000169707898 JH Annotated Anodyne Cc1cn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2s1 ZINC000169707909 JH Annotated Anodyne Cc1csc2nc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cn12 ZINC000169707914 JH Annotated Anodyne Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n(CC(F)(F)F)n1 ZINC000169707971 JH Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cncc(C(=O)c2cn(C3(CO)CC3)c3ncncc23)c1 ZINC000169708036 JH Annotated Anodyne C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)c2)c2cncnc21 ZINC000169708042 JH Annotated Anodyne COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cncnc21 ZINC000169708044 JH Annotated Anodyne COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cc3)c2)c2cncnc21 ZINC000169708047 JH Annotated Anodyne CC1(n2cc(C(=O)c3cncc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)c3cncnc32)COC1 ZINC000169708077 JH Annotated Anodyne Cc1c(C(=O)NCC#CCN(C)C)sc2ncnc(Nc3ccc(C#N)cc3OC(CF)CF)c12 ZINC000169708379 JH Annotated Mild Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C#N)c12 ZINC000169708382 JH Annotated Mild Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)C#N)c12 ZINC000169708383 JH Annotated Mild Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(-c3nccs3)cn4C)n2)cc1CN1CC(O)C1 ZINC000169709018 JH Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)cc1CN1CC[C@@H](O)C1 ZINC000169709020 JH Annotated Anodyne COC[C@@H]1C[C@@H](O)CN1Cc1cn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)nc1C ZINC000169709024 JH Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)cc1CCN1CC[C@@H](O)C1 ZINC000169709025 JH Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709464 JH Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709465 JH Annotated Anodyne C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709504 JH Annotated Anodyne C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709505 JH Annotated Anodyne C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709541 JH Annotated Anodyne C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709542 JH Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709546 JH Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709547 JH Annotated Anodyne C[C@H](NC(=O)c1ccnnc1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709570 JH Annotated Anodyne C[C@H](NC(=O)c1ccnnc1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709571 JH Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709597 JH Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709598 JH Annotated Anodyne C[C@H](NC(=O)c1ccno1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709610 JH Annotated Anodyne C[C@H](NC(=O)c1ccno1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709611 JH Annotated Anodyne C[C@H](NC(=O)c1ccnnc1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709612 JH Annotated Anodyne C[C@H](NC(=O)c1ccnnc1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709613 JH Annotated Anodyne C[C@H](NC(=O)c1ccon1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709616 JH Annotated Anodyne C[C@H](NC(=O)c1ccon1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709617 JH Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709618 JH Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709619 JH Annotated Anodyne C[C@H](NC(=O)CC#N)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709633 JH Annotated Mild C[C@H](NC(=O)CC#N)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709634 JH Annotated Mild C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709672 JH Annotated Anodyne C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709673 JH Annotated Anodyne CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)N4CCOCC4)cc3)C2)c1F ZINC000169709734 JH Annotated Anodyne CCCNc1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)N4CCOCC4)cc3)C2)c1F ZINC000169709735 JH Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1 ZINC000169709736 JH Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1 ZINC000169709737 JH Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(O[C@@H]4CCOC4)c3)C2)cc1 ZINC000169709841 JH Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(O[C@H]4CCOC4)c3)C2)cc1 ZINC000169709842 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCCN(Cc3nc4c5c(cccc5n3)C(=O)N=N4)CC2)cc1 ZINC000169710181 JH Annotated Anodyne Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(CC5CCOCC5)c4=O)cc3c2n1C(C)C ZINC000169710236 JH Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(C[C@@H]5CCCCO5)c4=O)cc3c2n1C(C)C ZINC000169710237 JH Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(C[C@H]5CCCCO5)c4=O)cc3c2n1C(C)C ZINC000169710238 JH Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(C[C@@H]5CCCOC5)c4=O)cc3c2n1C(C)C ZINC000169710242 JH Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(C[C@H]5CCCOC5)c4=O)cc3c2n1C(C)C ZINC000169710243 JH Annotated Mild CO[C@H]1CNC[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710662 JH Annotated Anodyne O=C(NCCN1CCNC1=O)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1 ZINC000169710736 JH Annotated Anodyne CCCS(=O)(=O)NCC(=O)Nc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000169710788 JH Annotated Anodyne CCCS(=O)(=O)NCC(=O)Nc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000169710789 JH Annotated Anodyne O=C(Nc1nc2ccc(F)cc2s1)N1CCC(F)(c2ncc(C[C@H](O)CO)cc2Cl)CC1 ZINC000169710879 JH Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(C[C@@H](O)CO)cc2Cl)CC1 ZINC000169710880 JH Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(C[C@H](O)CO)cc2Cl)CC1 ZINC000169710881 JH Annotated Anodyne O=C(Nc1nc2cc(F)ccc2s1)N1CCC(c2ncc(C[C@@H](O)CO)cc2Cl)CC1 ZINC000169710884 JH Annotated Anodyne O=C(Nc1nc2cc(F)ccc2s1)N1CCC(c2ncc(C[C@H](O)CO)cc2Cl)CC1 ZINC000169710885 JH Annotated Anodyne N#Cc1nc(C(=O)NCCCCC(=O)O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12 ZINC000169710912 JH Annotated Mild O=C(O)CCCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711044 JH Annotated Anodyne C[C@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)O)ncc21 ZINC000169711052 JH Annotated Anodyne C[C@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCCC(=O)O)ncc21 ZINC000169711053 JH Annotated Anodyne C[C@@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)O)ncc21 ZINC000169711056 JH Annotated Anodyne C[C@@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCCC(=O)O)ncc21 ZINC000169711057 JH Annotated Anodyne O=C(O)CCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2CC2CCCCC2)c1O ZINC000169711068 JH Annotated Anodyne CCN1CCN(Cc2ccc(C(=O)Cn3ccc(OCc4ccc(Cl)cn4)cc3=O)c(C)c2)CC1 ZINC000169711358 JH Annotated Anodyne Cc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711359 JH Annotated Anodyne Cc1cc(CN2CCC[C@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711395 JH Annotated Anodyne Cc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711400 JH Annotated Anodyne Cc1cc(CN2CCC(CO)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711405 JH Annotated Anodyne Cc1cc(CN2CCC[C@@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711406 JH Annotated Anodyne Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O ZINC000169711448 JH Annotated Anodyne CC(C)NC1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 ZINC000169711903 JH Annotated Mild Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)s1 ZINC000169715188 JH Annotated Clean O=C(O)CCCCCCCOc1ccc(NC(=O)[C@@H]2C(=O)CN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000169717338 JH Annotated Bother O=C(O)CCCCCCCOc1ccc(NC(=O)[C@H]2C(=O)CN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000169717339 JH Annotated Bother COc1cc(C[C@H]2C(=O)O[C@@](CCc3ccccc3)(C(=O)NCC(C)(C)C)C2=O)cc(OC)c1OC ZINC000169718184 JH Annotated Anodyne COc1cc(C[C@H]2C(=O)O[C@](CCc3ccccc3)(C(=O)NCC(C)(C)C)C2=O)cc(OC)c1OC ZINC000169718185 JH Annotated Anodyne NCCCOc1ccc(C[C@@H](N=O)C(=O)NCCc2ccc(Cl)cc2)cc1Br ZINC000169719380 JH Annotated Anodyne NCCCOc1ccc(C[C@H](N=O)C(=O)NCCc2ccc(Cl)cc2)cc1Br ZINC000169719381 JH Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169719610 JH Annotated Reactive O=C(CCCC[C@H]1CCSS1)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169719611 JH Annotated Reactive CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCC[C@@H](S)CCS ZINC000169719614 JH Annotated Mild CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCC[C@H](S)CCS ZINC000169719615 JH Annotated Mild COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCOc1cc(C)nc2ccccc12 ZINC000169720006 JH Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCOc1cc(C)nc2ccccc12 ZINC000169720007 JH Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCOc1cc(C)nc2ccccc12 ZINC000169720008 JH Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCOc1cc(C)nc2ccccc12 ZINC000169720009 JH Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCOc1cccc2ccc(C)nc12 ZINC000169720054 JH Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCOc1cccc2ccc(C)nc12 ZINC000169720055 JH Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCOc1cccc2ccc(C)nc12 ZINC000169720056 JH Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCOc1cccc2ccc(C)nc12 ZINC000169720057 JH Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](c3sc(=S)n(CCS(=O)(=O)O)c3O)c3ccccc32)cc1 ZINC000169720342 JH Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](c3sc(=S)n(CCS(=O)(=O)O)c3O)c3ccccc32)cc1 ZINC000169720343 JH Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721684 JH Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721685 JH Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721686 JH Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCC(=O)N2CCNCC2)(c2ccccc2)OC1=O ZINC000169721687 JH Annotated Anodyne COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)OC(=N)[C@@H]2C#N)cc1OC(=O)N1CCOCC1 ZINC000169721885 JH Annotated Mild COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)OC(=N)[C@@H]2C#N)cc1OC(=O)N1CCOCC1 ZINC000169721886 JH Annotated Mild O=C1C([c-]2c(=O)[nH]c3c(Br)cc([N+](=O)[O-])cc32)=Nc2ccc(Br)cc21 ZINC000169722498 JH Annotated Bother Cc1[nH]n(C(=O)c2ccc(Cl)cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000169722570 JH Annotated Clean C/C(=N\NC(=S)N1CCCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000169724126 JH Annotated Mild C/C(=N\NC(=S)N1CCCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc3c(c2)CCC3)c1=O ZINC000169724127 JH Annotated Mild CCNC(=O)c1ccc2c(c1)CCN2C(=S)N/N=C(\C)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000169724130 JH Annotated Mild Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc2ccccc12 ZINC000169724671 JH Annotated Anodyne Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1cncc2ccccc12 ZINC000169724675 JH Annotated Anodyne O=C1/C(=C/c2ccccc2)CN2C[C@]13[C@@H](c1ccccc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000169724865 JH Annotated Mild C=[S@@](=O)(/N=C/[C@@H](C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727218 JH Annotated Mild C=[S@](=O)(/N=C/[C@@H](C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727219 JH Annotated Mild C=[S@@](=O)(/N=C/[C@H](C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727220 JH Annotated Mild C=[S@](=O)(/N=C/[C@H](C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727221 JH Annotated Mild COc1ccc([C@@H]2N[C@H](NCc3ccccc3)S[C@@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000169727805 JH Annotated Anodyne COc1ccc([C@H]2N[C@H](NCc3ccccc3)S[C@@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000169727806 JH Annotated Anodyne CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)[C@@H](C#N)C(SCC(N)=O)=N1 ZINC000169728056 JH Annotated Mild CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)[C@@H](C#N)C(SCC(N)=O)=N1 ZINC000169728057 JH Annotated Mild CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)[C@H](C#N)C(SCC(N)=O)=N1 ZINC000169728058 JH Annotated Mild CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)[C@H](C#N)C(SCC(N)=O)=N1 ZINC000169728059 JH Annotated Mild Cc1cc([CH-]/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000169728234 JH Annotated Clean CC(C)(C)OC(=O)N[C@H](C(=O)C(=C=N)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000169728491 JH Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)C(=C=N)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)CC1CCCCC1 ZINC000169728492 JH Annotated Mild COc1ccc(C(=O)CNc2cc(O)c3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2O)cc1 ZINC000169729563 JH Annotated Anodyne COc1ccc(C(=O)CNc2cc(O)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3c2O)cc1 ZINC000169729571 JH Annotated Anodyne Fc1ccc(/C=C2\CN(CCN3CCOCC3)C[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000169730292 JH Annotated Anodyne Fc1ccc(/C=C2\CN(CCN3CCOCC3)C[C@H]3C2=NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000169730293 JH Annotated Anodyne Fc1ccccc1/C=C1\CN(CCN2CCOCC2)C[C@@H]2C1=NC(=S)N[C@@H]2c1ccccc1F ZINC000169730302 JH Annotated Anodyne Fc1ccccc1/C=C1\CN(CCN2CCOCC2)C[C@H]2C1=NC(=S)N[C@@H]2c1ccccc1F ZINC000169730303 JH Annotated Anodyne C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C/CC(=O)CC[C@@H](C)C/C=C\[C@H]3[C@H]1O ZINC000017003576 JH Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C\CC(=O)CC[C@@H](C)C/C=C/[C@H]3[C@H]1O ZINC000017003584 JH Annotated Mild CC(C)(C)c1cc([C@H]2c3cc4c(cc3O[C@](O)(CO)[C@H]2C(=O)O)OCO4)cc(C(C)(C)C)c1O ZINC000017176756 JH Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000017187666 JH Annotated Anodyne CC1(C)O[C@H]2[C@H](COC(=O)C(c3ccccc3)c3ccccc3)O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000017187669 JH Annotated Anodyne CC1(C)O[C@@H]2O[C@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000017187672 JH Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)C(c1ccccc1)c1ccccc1)O[C@@H]1OC(C)(C)O[C@@H]21 ZINC000017187675 JH Annotated Anodyne COC(=O)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000017194872 JH Annotated Anodyne O=c1n(CCCCn2c(=O)n(C[C@@H]3CS3)c3ccccc32)c2ccccc2n1C[C@H]1CS1 ZINC000017219161 JH Annotated Anodyne C[C@H](C(=O)N1C(=O)N(C(=O)[C@@H](C)[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]21)[C@@H](O)c1ccccc1 ZINC000017221256 JH Annotated Anodyne C[C@H](C(=O)N1C(=O)N(C(=O)[C@H](C)[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]21)[C@@H](O)c1ccccc1 ZINC000017221259 JH Annotated Anodyne C[C@H](C(=O)N1C(=O)N(C(=O)[C@@H](C)[C@@H](O)c2ccccc2)[C@H]2CCCC[C@H]21)[C@H](O)c1ccccc1 ZINC000017221262 JH Annotated Anodyne C[C@H](C(=O)N1C(=O)N(C(=O)[C@H](C)[C@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]21)[C@@H](O)c1ccccc1 ZINC000017221265 JH Annotated Anodyne COc1cc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc(OC)c1OC ZINC000017221739 JH Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N\CCNCC/N=C\2 ZINC000017255461 JH Annotated Anodyne C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]([C@]1(C)OC(O)=C(C)C1=O)[C@H]2C(=O)/C=C/C=C/C ZINC000017545504 JH Annotated Mild C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C(=O)[C@](C)(O)[C@H]1[C@H]([C@]1(C)OC(O)=C(C)C1=O)[C@H]2C(=O)/C=C/C=C/C ZINC000017545507 JH Annotated Mild COc1cc([C@H]2c3c(n(Cc4ccccc4)c(=O)[nH]c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O ZINC000018086419 JH Annotated Anodyne COc1cc([C@H]2c3c(n(Cc4ccccc4)c(=O)[nH]c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O ZINC000018086420 JH Annotated Anodyne COc1cc([C@@H]2c3c(n(Cc4ccccc4)c(=O)[nH]c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O ZINC000018167719 JH Annotated Anodyne COc1cc([C@@H]2c3c(n(Cc4ccccc4)c(=O)[nH]c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O ZINC000018167721 JH Annotated Anodyne Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)cc12 ZINC000019134635 JH Annotated Anodyne Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)cc12 ZINC000019134639 JH Annotated Anodyne O=C1C[C@@H](c2ccccc2)N2CCCN(CCCCN(C(=O)/C=C/c3ccccc3)CCCN1)C2 ZINC000019332765 JH Annotated Anodyne O=C1C[C@@H](c2ccccc2)N2CCCN(CCCCN(C(=O)/C=C\c3ccccc3)CCCN1)C2 ZINC000019332773 JH Annotated Anodyne O=C1C[C@H](c2ccccc2)N2CCCN(CCCCN(C(=O)/C=C\c3ccccc3)CCCN1)C2 ZINC000019332777 JH Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)=C(O)C1 ZINC000019361806 JH Annotated Mild COC(C)(C)OCCN1CCN(CCN2C3=C(C=C(C(C)=O)C3)Sc3ccccc32)CC1 ZINC000019365711 JH Annotated Mild Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN([C@@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000019372506 JH Annotated Mild CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019499615 JH Annotated Anodyne CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019499616 JH Annotated Anodyne CO[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 ZINC000194905498 JH Annotated Reactive CO[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 ZINC000194905510 JH Annotated Reactive CO[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 ZINC000194905526 JH Annotated Reactive CO[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 ZINC000194905539 JH Annotated Reactive CCOC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000019529706 JH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000019723363 JH Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000019723366 JH Annotated Mild Cc1ccc2c(CC(=O)N3CCOc4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4C3)cc(=O)oc2c1 ZINC000019790826 JH Annotated Anodyne COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN([C@@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000019849605 JH Annotated Mild COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN([C@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000019849608 JH Annotated Mild Cc1ccccc1-c1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000019953246 JH Annotated Anodyne O=C(CN1CCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195098769 JH Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)C/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000195108054 JH Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)C/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000195108071 JH Annotated Anodyne CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@@H]3C[C@@H]4C[C@]12C[C@@]4(C)O3 ZINC000195128837 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@@H]3C[C@@H]4C[C@]12C[C@@]4(C)O3 ZINC000195128850 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@H]3C[C@@H]4C[C@]12C[C@@]4(C)O3 ZINC000195128861 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@H]3C[C@@H]4C[C@]12C[C@@]4(C)O3 ZINC000195128873 JH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)cc1O ZINC000195155884 JH Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)cc1O ZINC000195155896 JH Annotated Reactive C=CC(=O)N1C[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 ZINC000195177350 JH Annotated Mild C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000195201199 JH Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000195201209 JH Annotated Anodyne CCOc1ccc(B(OC(=O)c2ncccc2O)c2ccc(OCC)c(Cl)c2)cc1Cl ZINC000195225507 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H](CNC(=O)CNC(=O)CCCC2CCCCC2)[C@H]2CC[C@H]1O2 ZINC000195264714 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNC(=O)CNC(=O)CCCC2CCCCC2)[C@H]2CC[C@H]1O2 ZINC000195264725 JH Annotated Anodyne C[N+](C)(CCCCCCCCCC[N+](C)(C)[BH-](Br)C#N)[BH-](Br)C#N ZINC000195319114 JH Annotated Bother C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@@H]2C(=C)[C@H](O)C/C=C(/C)CC[C@H]12)OC(C)=O ZINC000195319939 JH Annotated Mild CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C3c4cc5c(c(O)c4C(=O)N[C@H]3[C@@H]2O1)OCO5 ZINC000195363017 JH Annotated Reactive CC1=CC(=O)[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@@H]3C[C@@H]4C[C@]12C[C@@]4(C)O3 ZINC000195369281 JH Annotated Mild CC1=CC(=O)[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@@H]3C[C@@H]4C[C@]12C[C@@]4(C)O3 ZINC000195369292 JH Annotated Mild CCOC(=O)CN(C)C(=O)[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C ZINC000195376172 JH Annotated Reactive CCOC(=O)CN(C)C(=O)[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C ZINC000195376179 JH Annotated Reactive O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1CCCN1[C@]1(C(=O)Nc3ccc(Cl)cc31)[C@@H]1CCCN12 ZINC000195412350 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccc(Cl)cc31)[C@H]1CCCN12 ZINC000195412362 JH Annotated Anodyne C[C@@H]1[C@@H](OS(=O)(=O)c2ccc3nc(S)sc3c2)C[C@@H]2[C@@]3(C)CC[C@@]2([C@@H](C)C(=O)O)[C@@H](O)[C@@H]13 ZINC000195423949 JH Annotated Mild C[C@H]1[C@@H](OS(=O)(=O)c2ccc3nc(S)sc3c2)C[C@@H]2[C@@]3(C)CC[C@@]2([C@@H](C)C(=O)O)[C@@H](O)[C@@H]13 ZINC000195423954 JH Annotated Mild C[C@H]1[C@@H]2[C@H](O)[C@]3([C@@H](C)C(=O)O)CC[C@]2(C)[C@H]3C[C@H]1OS(=O)(=O)c1ccc2nc(S)sc2c1 ZINC000195423961 JH Annotated Mild C[C@@H]1[C@@H]2[C@H](O)[C@]3([C@@H](C)C(=O)O)CC[C@]2(C)[C@H]3C[C@H]1OS(=O)(=O)c1ccc2nc(S)sc2c1 ZINC000195423967 JH Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000195432071 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000195432077 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000195432080 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000195432088 JH Annotated Anodyne O=C1/C(=C/c2ccccc2)CN2C[C@@]13[C@@H](c1ccccc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000195444228 JH Annotated Mild COC(=O)C[C@H]1c2ccccc2C2=C(C[C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000195446954 JH Annotated Anodyne COC(=O)C[C@@H]1c2ccccc2C2=C(C[C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC ZINC000195446959 JH Annotated Anodyne C1=N/CCN2CCN(CC/N=C/c3ccc(cc3)OCc3cccc(n3)COc3ccc/1cc3)CC2 ZINC000195464464 JH Annotated Anodyne COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC ZINC000195468295 JH Annotated Reactive COC[C@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC ZINC000195468300 JH Annotated Reactive C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C\CC(=O)CC[C@@H](C)C/C=C\[C@H]3[C@H]1O ZINC000195471609 JH Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C/CC(=O)CC[C@@H](C)C/C=C/[C@H]3[C@H]1O ZINC000195471616 JH Annotated Mild CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]2(C#N)[C@@H](c2ccco2)N1 ZINC000195483074 JH Annotated Mild CC1=C(C)[C@@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@H]3c3ccco3)[C@@]2(C#N)[C@@H](c2ccco2)N1 ZINC000195483078 JH Annotated Mild CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@H]3c3ccco3)[C@@]2(C#N)[C@@H](c2ccco2)N1 ZINC000195483080 JH Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000195499244 JH Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000195499247 JH Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000195499249 JH Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000195499253 JH Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000195499256 JH Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000195499259 JH Annotated Mild CN1C[C@@H](c2cccc3c2OCO3)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195519482 JH Annotated Clean CN1C[C@H](c2cccc3c2OCO3)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195519484 JH Annotated Clean CN1C[C@@H](c2ccc(N3CCOCC3)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195519486 JH Annotated Clean CN1C[C@H](c2ccc(N3CCOCC3)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195519488 JH Annotated Clean CN1C[C@@H](c2ccc(C(=O)O)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195524213 JH Annotated Clean CN1C[C@H](c2ccc(C(=O)O)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195524214 JH Annotated Clean CO[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 ZINC000195758590 JH Annotated Reactive CO[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 ZINC000195952645 JH Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000196168811 JH Annotated Mild C=C1C(=O)[C@]23[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000196408115 JH Annotated Mild Clc1ccc2nc(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)[nH]c2c1 ZINC000197912274 JH Annotated Anodyne CCCCOCCOC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)COC)cc2)cc1 ZINC000197952573 JH Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@@](C)(OC(C)=O)[C@@H]1C(=O)C[C@@]2(C)O ZINC000198361112 JH Annotated Anodyne C[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]3(C)O[C@@]4(CC[C@]3(C)[C@H]1CCC[C@]2(O)CO)COC(=O)C4 ZINC000198432185 JH Annotated Anodyne C[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]3(C)O[C@]4(CC[C@]3(C)[C@H]1CCC[C@]2(O)CO)COC(=O)C4 ZINC000198432198 JH Annotated Anodyne C=C[C@](C)(CO)c1c(O)cc2c(c1O)C(=O)C1=C(C2=O)[C@@H]2C[C@@H](C)[C@@H](OC(C)=O)C[C@@H]2C(C)(C)O1 ZINC000198646994 JH Annotated Mild Cn1c(OC2CCN(c3ccc4c(c3)CN(Cc3ccccc3)C4)CC2)nc(-c2ccncn2)cc1=O ZINC000198765201 JH Annotated Clean C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CC=C(C)[C@H]23)[C@]2(C)O[C@@]1(O)C[C@@H]2OC(=O)[C@@H](CC)OC(C)=O ZINC000198886229 JH Annotated Mild CO[C@@H]([C@H](C)[C@@H](O)CC(=O)O)C(C)(C)C(=O)[C@@H](C)C[C@H](C)[C@H](O)[C@@]1(C)O[C@@H]1[C@@H](C)C=C(C)C ZINC000198929592 JH Annotated Anodyne O=C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2c1OC1(CCOCC1)O2 ZINC000199083976 JH Annotated Anodyne CCS(=O)(=O)N1Cc2cc(C(=O)N(C)C)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@@H]1CCO ZINC000199204374 JH Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N3CCOCC3)cc3c2[C@@H](CCO)N(C(=O)NC(C)C)C3)c1 ZINC000199204491 JH Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N3CCOCC3)cc3c2[C@H](CCO)N(C(=O)NC(C)C)C3)c1 ZINC000199204536 JH Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO ZINC000199204583 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000199205429 JH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000199205858 JH Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccco2)C1=O ZINC000199218145 JH Annotated Anodyne Cc1cc(NC(=O)OC(C)(C)C)c(-n2nnnc2[C@@H](C(=O)c2ccccc2)N2CCOCC2)cc1C ZINC000199242106 JH Annotated Anodyne Cc1cc(NC(=O)OC(C)(C)C)c(-n2nnnc2[C@H](C(=O)c2ccccc2)N2CCOCC2)cc1C ZINC000199242124 JH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199248174 JH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199248187 JH Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199271720 JH Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199271844 JH Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199272107 JH Annotated Anodyne Cc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199272194 JH Annotated Anodyne CC(C)=CC[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@]5(C)c6ccccc6N[C@H]45)C(=O)N3[C@@H]1N(C)c1ccccc12 ZINC000199302555 JH Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C=O)CCC[C@]21C ZINC000199328829 JH Annotated Mild CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 ZINC000199359188 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 ZINC000199359216 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(Br)cc1 ZINC000199359783 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccc(Br)cc1 ZINC000199359801 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000199359979 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000199360014 JH Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000199363509 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000199363536 JH Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000199364975 JH Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000199364992 JH Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(Cl)c1 ZINC000199424455 JH Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199424469 JH Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(Cl)cc1 ZINC000199425460 JH Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199425475 JH Annotated Anodyne COCCNC(=O)c1ccc2c(c1)nc(-c1cnc(-c3ccc(Cl)cc3)[nH]1)n2CCOC ZINC000199570879 JH Annotated Anodyne in-vitro CN1CCN(C(=O)CN2C(=O)/C(=C/c3c(Cl)ccc(Cl)c3Cl)SC2=S)CC1 ZINC000199676376 JH Annotated Clean CC(=O)/C=C1\OC(/C=C/c2ccc(O)c(O)c2)=CC(O)=C2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]21 ZINC000199716645 JH Annotated Mild CC(=O)/C=C1\OC(/C=C/c2ccc(O)c(O)c2)=CC(O)=C2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]21 ZINC000199716667 JH Annotated Mild COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(F)cc4)c13)C(=O)N(C)C2 ZINC000199731854 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199731991 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C#N)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199732018 JH Annotated Mild COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(C)C2 ZINC000199732069 JH Annotated Anodyne COCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1ccccc1n3S(=O)(=O)c1ccc(C)cc1 ZINC000199732173 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(C)C2 ZINC000199732635 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(C)C2 ZINC000199732671 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199732708 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(C)C2 ZINC000199732746 JH Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(C)C2 ZINC000199732879 JH Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1Cc2cc(Br)ccc2-n2nncc2C1 ZINC000199736151 JH Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000199736791 JH Annotated Anodyne CCNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199738341 JH Annotated Anodyne COCCNC(=S)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000199739027 JH Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742911 JH Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(CCC2=CCCCC2)C1=O ZINC000199743631 JH Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747907 JH Annotated Anodyne C=C1CC[C@@H]2[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1 ZINC000199867191 JH Annotated Mild O=C(O)C[C@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O ZINC000002003155 JH Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCC(=O)O)ccc3n(C)c12 ZINC000002004579 JH Annotated Bother O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1OP(=O)(O)O ZINC000002007869 JH Annotated Anodyne O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000002101950 JH Annotated Reactive CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2ccc(C)o2)nc1C ZINC000002106837 JH Annotated Anodyne CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2ccc(C)o2)nc1C ZINC000002106847 JH Annotated Anodyne COc1ccc(CC/N=C(\O)[C@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1OC ZINC000002108766 JH Annotated Mild COc1ccc(C/N=C(\O)[C@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1OC ZINC000002109905 JH Annotated Mild COc1ccc(CC/N=C(\O)[C@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 ZINC000002110927 JH Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/Cc2ccccc2OC)C(=O)[C@@]31C ZINC000002114533 JH Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/CCc2ccc(F)cc2)C(=O)[C@@]31C ZINC000002124821 JH Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/Cc2ccc(F)cc2)C(=O)[C@@]31C ZINC000002158240 JH Annotated Mild Cc1ccc(N2CCN(c3cnn(-c4nc5ccccc5s4)c(=O)c3N(C)C)C[C@@H]2C)cc1 ZINC000002236269 JH Annotated Anodyne COC(=O)c1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000002255162 JH Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000002255163 JH Annotated Anodyne O=C1C(=O)N(CCCO)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccc(Br)cc1 ZINC000002330869 JH Annotated Anodyne O=C1C(=O)N(CCCO)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000002330874 JH Annotated Anodyne COc1ccc(/C=N\n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC ZINC000002393147 JH Annotated Mild C[C@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000002429818 JH Annotated Clean C[C@@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000002429819 JH Annotated Clean CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc(OC)ccc3OC)c21 ZINC000002459209 JH Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCc4ccccc43)c21 ZINC000002459286 JH Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(F)c(F)c3)c21 ZINC000002459302 JH Annotated Anodyne COc1ccc(N(C)S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1 ZINC000002459325 JH Annotated Anodyne Cc1c(C(=O)NCCCN2CCCC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 ZINC000002459831 JH Annotated Anodyne Cc1c(C(=O)NCCCN2CCCC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000002459833 JH Annotated Anodyne Cc1c(C(=O)NCCCN2CCCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000002459835 JH Annotated Anodyne NC(=O)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002460982 JH Annotated Anodyne O=C(Nc1ccccn1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000002469082 JH Annotated Anodyne O=C(Nc1ccccn1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000002469084 JH Annotated Anodyne O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21 ZINC000002469088 JH Annotated Anodyne aggregator Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000002475682 JH Annotated Bother Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000002475683 JH Annotated Bother Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000002475684 JH Annotated Bother Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000002475685 JH Annotated Bother COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002478222 JH Annotated Bother O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002478409 JH Annotated Bother O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480237 JH Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)cc1OC ZINC000002480273 JH Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCOCCO ZINC000002480287 JH Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002480426 JH Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCOCCO)cc1 ZINC000002480896 JH Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCOCCO)cc1 ZINC000002480965 JH Annotated Anodyne O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482169 JH Annotated Bother COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002482293 JH Annotated Bother O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002483117 JH Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCO)cc1OC ZINC000002483180 JH Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCOCCO ZINC000002483208 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002486916 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002486919 JH Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487324 JH Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487326 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487513 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487515 JH Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000002487619 JH Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000002487621 JH Annotated Anodyne C/N=C(\S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002487846 JH Annotated Mild CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002487848 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002487850 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002487852 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002487857 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NC)CC(C)(C)O2 ZINC000002488257 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002488298 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002488317 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000002488585 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000002488587 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488847 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002488849 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489279 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489281 JH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489282 JH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489283 JH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002489297 JH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002489299 JH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002489300 JH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002489302 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002489515 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002489558 JH Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002491724 JH Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002491726 JH Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491751 JH Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491752 JH Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002492074 JH Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002492075 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492321 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492323 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000002494021 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000002494023 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000002494046 JH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(C)c(Br)c12 ZINC000002496043 JH Annotated Reactive CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)c21 ZINC000002496468 JH Annotated Anodyne CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1 ZINC000002496470 JH Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(C3CC3)C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000020105795 JH Annotated Anodyne O=C(CNS(=O)(=O)c1cccs1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020114074 JH Annotated Anodyne O=C(CNS(=O)(=O)c1cccs1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020114076 JH Annotated Anodyne CCN1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)CC1 ZINC000020117343 JH Annotated Anodyne CCN1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)CC1 ZINC000020117345 JH Annotated Anodyne CCN1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)CC1 ZINC000020117347 JH Annotated Anodyne CCN1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)CC1 ZINC000020117349 JH Annotated Anodyne Cc1ccc2nc(SCC(=O)N3CCOc4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4C3)[nH]c2c1 ZINC000020135689 JH Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3)c2c1 ZINC000020136557 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000020138065 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3Cl)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000020138119 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000020138161 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4F)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000020138169 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4F)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000020138223 JH Annotated Anodyne Cc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 ZINC000020138327 JH Annotated Anodyne O=C(c1ccco1)N1CCN([C@H](c2ccccc2Cl)c2nnnn2Cc2cccs2)CC1 ZINC000020141955 JH Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H](c2ccccc2Cl)c2nnnn2Cc2cccs2)CC1 ZINC000020141958 JH Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cn(C)c2ccccc12 ZINC000020155925 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)Nc5ccc(Br)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000020183238 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)Nc5ccc(Br)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000020183240 JH Annotated Anodyne Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239829 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000020363226 JH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000020363228 JH Annotated Mild Cc1ccc(CCNC(=O)C2(NS(=O)(=O)c3cccc4cccnc34)CCCCC2)cc1 ZINC000020377549 JH Annotated Anodyne CCCCN(C)CCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(C)c(C)c3)=C2C)CC1 ZINC000020389462 JH Annotated Anodyne CC(C)(O)C#Cc1ccc(C(=O)NCCN2Cc3ccccc3O[C@H](c3ccccc3F)C2)o1 ZINC000020406392 JH Annotated Mild CC(C)(O)C#Cc1ccc(C(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)o1 ZINC000020406394 JH Annotated Mild CCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)s1 ZINC000020416219 JH Annotated Anodyne CCc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)s1 ZINC000020416221 JH Annotated Anodyne Cc1c2cnn(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417104 JH Annotated Anodyne Cc1c2cnn(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417107 JH Annotated Anodyne O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000020436065 JH Annotated Anodyne C=C(C)[C@@H]1[C@H](O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]2[C@@]1(C)CCC(=O)OC)C(=O)OC4 ZINC000200206258 JH Annotated Mild CC(C)[C@@H](/N=C(\O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)COC1(C)C ZINC000200613053 JH Annotated Mild CC(C)[C@@H](/N=C(\O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)COC1(C)C ZINC000200613087 JH Annotated Mild C=C(C)[C@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(C/C=C(/C)CO)c1O ZINC000200790732 JH Annotated Mild COC1=Cc2c(-c3cnc4c5c(ccnc35)C=C(OC)C4(OC)OC)cnc3ccnc(c23)C1=O ZINC000200909817 JH Annotated Mild COC1=Cc2ccnc3c(-c4cnc5c6c(ccnc46)C=C(OC)C5(OC)OC)cnc(c23)C1=O ZINC000200909916 JH Annotated Mild CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@@H](Oc3ccc(N)cc3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000200968875 JH Annotated Clean O=c1[nH]c2ccsc2c(=O)n1-c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC000201161233 JH Annotated Anodyne O=c1[nH]c2sccc2c(=O)n1-c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC000201172901 JH Annotated Anodyne O=C1CC(N2CCCN(Cc3ccccc3)CC2)=NC(=O)N1c1ccc(Br)cc1 ZINC000201454881 JH Annotated Anodyne CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000201468445 JH Annotated Anodyne CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000201468483 JH Annotated Anodyne COc1ccc([C@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ncn[nH]2)cc1OC ZINC000201469181 JH Annotated Anodyne COc1ccc([C@@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ncn[nH]2)cc1OC ZINC000201469217 JH Annotated Anodyne O=C(COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 ZINC000201470621 JH Annotated Bother COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000201473278 JH Annotated Anodyne COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000201473308 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000201480590 JH Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CCCC#N)nn3)ccc21 ZINC000201481536 JH Annotated Mild CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CCCC#N)nn3)ccc21 ZINC000201481567 JH Annotated Mild CCOC(=O)N1C(=O)C[C@](Sc2ccc(OC)cc2)(C(=O)N(C)C)[C@H]1c1ccc(OC)cc1 ZINC000201481718 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000201484271 JH Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485484 JH Annotated Anodyne CCNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(CNC(C)=O)c2cc(OC)c(OC)cc12 ZINC000201602547 JH Annotated Anodyne CC/C(Br)=C\C=C\[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000202696212 JH Annotated Reactive CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCCC(C)C ZINC000203455850 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1ccccc1 ZINC000203455904 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1ccc(C)o1 ZINC000203455935 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCCCC1 ZINC000203455951 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCCC(C)C ZINC000203456019 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1ccccc1 ZINC000203456106 JH 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(Cc2ccco2)C1=O ZINC000203458143 JH Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458285 JH Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458301 JH Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(CCC2=CCCCC2)C1=O ZINC000203458314 JH Annotated Mild CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccco2)C1=O ZINC000203459747 JH Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459828 JH Annotated Anodyne C#CCNC(=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 ZINC000203459838 JH Annotated Mild CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccco2)C1=O ZINC000203461928 JH Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203461995 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464190 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464207 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)N2CCC(c3ccccc3)CC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464225 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464262 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464272 JH Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCCCOC ZINC000203464352 JH Annotated Anodyne C#CCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCCCC[C@@]21C(=O)OCC ZINC000203464524 JH Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464783 JH Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464876 JH Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1ccc(C)o1 ZINC000203466413 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCCCC1 ZINC000203466429 JH Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466507 JH Annotated Mild C=CCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466574 JH Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCc1cccc2ccccc12 ZINC000203466639 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203466645 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000203466662 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCCCCc1ccccc1 ZINC000203466683 JH Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(N4CCOCC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1cccc(Cl)c1 ZINC000203467181 JH Annotated Anodyne CCNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4cccc(-c5ccc6c(c5)OCO6)c4c3CCN2C[C@H]1[C@H](C)O ZINC000203467352 JH Annotated Anodyne CCNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4cccc(-c5cccc(F)c5)c4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203467384 JH Annotated Anodyne CCNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5cccc(C)c5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203468648 JH Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203469038 JH Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469255 JH Annotated Mild C=CCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)[C@@]2(C(=O)OC)CCCCC=C12 ZINC000203469293 JH Annotated Mild CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCSCC1 ZINC000203469378 JH Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCCC1 ZINC000203469423 JH Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(C(=O)C3CC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470469 JH Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CCCC#N)nn3)ccc21 ZINC000203470885 JH Annotated Mild CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CCCC#N)nn3)ccc21 ZINC000203470890 JH Annotated Mild C/C(=C/c1nc(N)n(Cc2ccccc2)c1Cc1ccccc1)Cn1[nH]c(=O)n(-c2ccccc2)c1=O ZINC000203471220 JH Annotated Anodyne COCCCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCCC[C@]21C(=O)OC ZINC000203472264 JH Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000203472398 JH Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203472603 JH Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203472642 JH Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(Cc2cn(Cc3ccccc3)nn2)c2ccccc21 ZINC000203473222 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000203473657 JH Annotated Anodyne C=C(C)[C@@H](O)COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC ZINC000203529388 JH Annotated Mild CC(C)[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000203550886 JH Annotated Anodyne CN(C)CCCOc1cnc(-c2cccc(Cn3nc(-c4cccc(F)c4)ccc3=O)c2)nc1 ZINC000203924742 JH Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]21 ZINC000204664748 JH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC7(COC7)C6)cc5c4)n3c2)cn1 ZINC000204936600 JH Annotated Anodyne CN1CCCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1 ZINC000204936656 JH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(N)CC6)cc5c4)n3c2)cn1 ZINC000204936736 JH Annotated Anodyne C[C@H]1CNCCN1c1cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 ZINC000204974738 JH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(O)CC6)cc5c4)n3c2)cn1 ZINC000204983426 JH Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(O)CC6)cc5c4)n3c2)cn1 ZINC000204983445 JH Annotated Anodyne Cc1ccccc1-c1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020537119 JH Annotated Anodyne Cc1ccccc1-c1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020537122 JH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020561436 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020561439 JH Annotated Mild COc1ccc(CCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1OC ZINC000020580838 JH Annotated Anodyne CN(C[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581058 JH Annotated Anodyne CN(C[C@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581061 JH Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N(CCN1CCOCC1)Cc1ccco1 ZINC000020581227 JH Annotated Anodyne CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581260 JH Annotated Anodyne CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581264 JH Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(CC(=O)NCc4ccco4)c32)cc1 ZINC000020598039 JH Annotated Anodyne O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NC3CCCCC3)C(=O)N12)NC1CCCCC1 ZINC000020643052 JH Annotated Anodyne CCN(CC)CCn1c(S)nc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc2c1=O ZINC000020645535 JH Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)c3ccc(SCCN4CCOCC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000020663507 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc(SCCN4CCOCC4)c([N+](=O)[O-])c3)C[C@H]2C)c1 ZINC000020663509 JH Annotated Bother Cc1cccc(N2CCN(C(=O)c3ccc(SCCN4CCOCC4)c([N+](=O)[O-])c3)C[C@@H]2C)c1 ZINC000020663512 JH Annotated Bother O=C1CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2N1C/C(O)=N/C1CCCC1 ZINC000020687665 JH Annotated Mild CC1CCN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N4CCCC[C@@H]4c4cccnc4)cc3c2=O)CC1 ZINC000020754016 JH Annotated Anodyne CC1CCN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4c4cccnc4)cc3c2=O)CC1 ZINC000020754020 JH Annotated Anodyne CC(C)(CNC(=O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1)N1CCOCC1 ZINC000020775753 JH Annotated Anodyne N#C[C@H]1C[C@@H](N2CC(F)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000205000603 JH Annotated Mild CN1CCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1 ZINC000205017770 JH Annotated Anodyne N#C[C@H]1C[C@@H](C(=O)NC2CC(F)(F)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000205027986 JH Annotated Mild N#C[C@H]1C[C@@H](C(=O)N2CCC(F)(F)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000205037740 JH Annotated Mild CN(C)[C@H]1CCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)C1 ZINC000205070556 JH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC[C@H](N)C6)cc5c4)n3c2)cn1 ZINC000205070589 JH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC[C@@H](N)C6)cc5c4)n3c2)cn1 ZINC000205071569 JH Annotated Anodyne CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(C(=O)N2CC[C@H](O)C2)s1 ZINC000205110946 JH Annotated Anodyne CC(C)[C@@]1(C)COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000205141522 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC34CC4)cc2)n1 ZINC000205161465 JH Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3cn[nH]c3c2)c1 ZINC000205184155 JH Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)O)Cc2ccc3cn[nH]c3c2)c1 ZINC000205184166 JH Annotated Anodyne O=C(Nc1ccc(-n2ccnc2)cc1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205207531 JH Annotated Anodyne CN(C)c1ccc(CNC(=O)C2=COC3=NC(=O)N(Cc4ccccc4C(F)(F)F)CCN23)cc1 ZINC000205209624 JH Annotated Clean O=C(NCCCc1ccccc1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205209643 JH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205209751 JH Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@H](c3nc4c(OCc5ccccc5)cccc4[nH]3)[C@H]3CC[C@@H]2C3)c1 ZINC000205209966 JH Annotated Anodyne O=C(NCCc1ccccc1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205212355 JH Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205212372 JH Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205212383 JH Annotated Anodyne COc1ccc(-n2cc(CN3C(=O)[C@@](O)(c4cn(C)c5ccccc45)c4cc(F)ccc43)nn2)cc1 ZINC000205213551 JH Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)Nc4cccc(OC(F)(F)F)c4)=COC3=NC2=O)c1 ZINC000205213924 JH Annotated Anodyne O=C(NCCCc1ccccc1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205219428 JH Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205219450 JH Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205219468 JH Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3cccc(Cc4ccccc4)c3)OC2=NC1=O ZINC000205219769 JH Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205220025 JH Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205220036 JH Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000205220050 JH Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205220065 JH Annotated Anodyne O=C(O)C/C=C/[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]23 ZINC000205220828 JH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)on1 ZINC000205222215 JH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)on1 ZINC000205222235 JH Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)Nc4cccc(OC(F)(F)F)c4)=COC3=NC2=O)c1 ZINC000205226974 JH Annotated Mild COc1cccc(CN2CCN3C=C(C(=O)Nc4ccc(-n5cccc5)cc4)OC3=NC2=O)c1 ZINC000205232326 JH Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)Nc4ccc(-n5cccc5)cc4)=COC3=NC2=O)c1 ZINC000205232426 JH Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000205234704 JH Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)Nc4cccc(C(F)(F)F)c4)=COC3=NC2=O)c1 ZINC000205235333 JH Annotated Mild O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]23 ZINC000205242236 JH Annotated Anodyne CN1CCN(C23C[C@H](NC(=O)CN4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000205390940 JH Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(N)=O)Cc2ccc(Cl)cc2)c1 ZINC000205421665 JH Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(N)=O)Cc2ccc(Cl)cc2)c1 ZINC000205421681 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(c2cc(C)no2)c2ccc(Cc3ccccc3)cc21 ZINC000205484598 JH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccc(N=C(N)N)cc3)cc2c1 ZINC000205627109 JH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@](C)(OC(=O)/C(C)=C\C)[C@H]21 ZINC000205669159 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](c3ccccc3)ON2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000205715482 JH Annotated Anodyne C=C(O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(C(=O)OC)=CC[C@H]1NC(=O)OC(C)(C)C)C(=O)OC ZINC000205855431 JH Annotated Reactive CCOC(=O)[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205858302 JH Annotated Anodyne CCOC(=O)[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000205858317 JH Annotated Anodyne CCOC(=O)[C@@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCCCC1 ZINC000205859489 JH Annotated Anodyne CCOC(=O)[C@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCCCC1 ZINC000205859500 JH Annotated Anodyne O=C(Nc1ccc(-n2ccnc2)cc1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000206018760 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000206024360 JH Annotated Anodyne C=C1N(S(=O)(=O)C(F)(F)F)CC[C@@]12CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc12 ZINC000206037586 JH Annotated Mild C=C1N(S(=O)(=O)C(F)(F)F)CC[C@]12CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc12 ZINC000206037616 JH Annotated Mild CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041776 JH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041867 JH Annotated Bother C[C@H]1[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042731 JH Annotated Anodyne CCOC(=O)CCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206043860 JH Annotated Anodyne CCOC(=O)CCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206043884 JH Annotated Anodyne CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Br)ccc32)c2ccccc21 ZINC000206045586 JH Annotated Anodyne CN1C(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Br)ccc32)c2ccccc21 ZINC000206045613 JH Annotated Anodyne CN1C(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc(Br)ccc32)c2ccccc21 ZINC000206045629 JH Annotated Anodyne CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc(Br)ccc32)c2ccccc21 ZINC000206045649 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H](c3nnnn3C(C)(C)C)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000206054119 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H](c3nnnn3C(C)(C)C)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000206054142 JH Annotated Anodyne COc1cc(OC)c(-c2nccc3cc(S(=O)(=O)Nc4ncns4)ccc23)c(OC)c1 ZINC000206142922 JH Annotated Anodyne CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C ZINC000206492433 JH Annotated Anodyne CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C ZINC000206492466 JH Annotated Anodyne CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000206492520 JH Annotated Anodyne CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000206492558 JH Annotated Anodyne N#Cc1cccc(-c2nn([C@@H]3c4cc(F)cc(F)c4C[C@H]3O)c3c2CN(C(=O)C2CC2)CC3)c1 ZINC000206887984 JH Annotated Mild CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(Br)c3C[C@H]2O)C1 ZINC000206891374 JH Annotated Mild CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)n3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 ZINC000206891502 JH Annotated Anodyne CC(C)C(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 ZINC000206891627 JH Annotated Mild CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(C4CC4)c3C[C@H]2O)C1 ZINC000206898927 JH Annotated Mild COc1cc(NC(=O)/C=C\c2cc(F)cc(F)c2F)cc(OCCN2CCC3(CC2)OCCO3)c1 ZINC000206903128 JH Annotated Anodyne O=C1NCC/C=C/CCC[C@H](C(=O)NCc2ccccc2)C(=O)Cc2c(Cl)c(O)cc(O)c21 ZINC000206940125 JH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1F ZINC000206993351 JH Annotated Anodyne Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H]4C(=O)NC(=O)N(C)[C@@H]4N3)sc2-c2ccc(C)cc2)cc1 ZINC000207167087 JH Annotated Anodyne Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@@H]4C(=O)NC(=O)N(C)[C@@H]4N3)sc2-c2ccc(C)cc2)cc1 ZINC000207167177 JH Annotated Anodyne Cc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2C(=O)N[C@@H](C)C[C@H]2C)n1-c1ccccc1 ZINC000207305622 JH Annotated Anodyne Cc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2C(=O)N[C@@H](C)C[C@@H]2C)n1-c1ccccc1 ZINC000207305713 JH Annotated Anodyne COc1cc(C(=O)/N=c2\scc(-c3cc(OC)c(OC)c(OC)c3)n2C)cc(OC)c1OC ZINC000207473251 JH Annotated Anodyne Cc1ccc(CN(CCc2ccccc2)C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)s1 ZINC000207500705 JH Annotated Anodyne Cc1ccc(CN(CCc2ccccc2)C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)s1 ZINC000207500789 JH Annotated Anodyne CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(CC)CC)c2ncccc23)CC1 ZINC000207535427 JH Annotated Anodyne COCCOc1ccc2c(OCCn3nc(-n4ccc5ccc(F)cc54)ccc3=O)ccnc2c1 ZINC000207632086 JH Annotated Anodyne C=C(CCCC(C)=O)[C@H]1[C@H](CC(=O)O)/C(=C\C=C\C(C)(C)OO)[C@@H](OC)O[C@@H]1OC(C)=O ZINC000207689839 JH Annotated Reactive CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(Cc3cccc4ccccc34)nc21 ZINC000207704803 JH Annotated Anodyne CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1cc2ccccc2oc1=O ZINC000207739555 JH Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@@]1(C=C(S(=O)(=O)Cc3ccccc3)C(=O)C[C@H]1C)C2=O ZINC000208166402 JH Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@@]1(C=C(S(=O)(=O)c3ccccc3)C(=O)C[C@H]1C)C2=O ZINC000208166547 JH Annotated Mild COc1cc([C@@H]2Oc3cc(/C=C/c4cc(O)cc(O)c4)cc(O)c3O[C@H]2CO)cc(OC)c1O ZINC000208290375 JH Annotated Anodyne CO[C@]1(CC(C)=O)Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000208511009 JH Annotated Clean CO[C@]1(CC(C)=O)Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2/C1=C\c1ccc(O)c(O)c1 ZINC000208511049 JH Annotated Clean CO[C@]1(CC(C)=O)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C\c1ccc(O)c(O)c1 ZINC000208511086 JH Annotated Clean CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)COC ZINC000208721193 JH Annotated Anodyne COc1ccc(CN2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)c(OC)c1OC ZINC000021262787 JH Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H](C(=O)O)C(C)C ZINC000210440497 JH Annotated Anodyne CC[C@H](NC(=O)C(CC)(CC)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O ZINC000210443911 JH Annotated Anodyne O=C(C1CCCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210462992 JH Annotated Bother COC1=C(C)[C@]2(Oc3cc(OC)c(C=O)c4c(O)c(OC)c(C)c2c34)c2ccc(O)c(C=O)c2C1=O ZINC000210484831 JH Annotated Mild Cc1cc(C(=O)Nc2nc3cccc(C)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1 ZINC000210619361 JH Annotated Anodyne in-vitro CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(Cl)cnc4s3)c2F)CC1 ZINC000210918844 JH Annotated Anodyne CCCCCC[C@H](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 ZINC000211215975 JH Annotated Mild C/C(=C\Cc1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3)CO ZINC000211416861 JH Annotated Clean COc1cc(OC)nc([C@H](O[Si](C)(C)C)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 ZINC000211432024 JH Annotated Reactive COc1cc(OC)nc([C@@H](O[Si](C)(C)C)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 ZINC000211432108 JH Annotated Reactive O=C1N[C@@H]2N[C@H](SCc3ccc(Br)cc3)NC[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000212403903 JH Annotated Anodyne O=C1N[C@@H]2N[C@@H](SCc3ccc(Br)cc3)NC[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000212403971 JH Annotated Anodyne O=C1N[C@@H]2N[C@H](SCc3ccc(Br)cc3)NC[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000212404035 JH Annotated Anodyne O=C1N[C@@H]2N[C@@H](SCc3ccc(Br)cc3)NC[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000212404103 JH Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000021948351 JH Annotated Anodyne in-vivo COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215506754 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)cnc12 ZINC000215507874 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215508405 JH Annotated Anodyne COc1nc(OCC(C)C)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215517867 JH Annotated Anodyne COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000215520872 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nc(=O)[nH]c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215524753 JH Annotated Anodyne COC(=O)Cn1nnc(-c2cccc(NS(=O)(=O)c3sc4ccc(C(C)C)cc4c3C)c2)n1 ZINC000215578447 JH Annotated Anodyne O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCBr)cc3)c2c2ccsc12 ZINC000215588313 JH Annotated Reactive CC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N/C=C/[C@@]1(CC=C(C)C)C(=O)Nc2ccccc21)C(C)C)C(C)C ZINC000215681427 JH Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(F)(F)F)no1 ZINC000215759608 JH Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1CN(C(=O)OC(C)(C)C)C1 ZINC000215775962 JH Annotated Mild CC1(OC(=O)N2CCC(c3cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4o3)CC2)CC1 ZINC000215832568 JH Annotated Anodyne CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ncc(Cl)cn5)CC4)oc3cn2)CC1 ZINC000215832791 JH Annotated Anodyne C=C(C)[C@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(C/C=C(\C)CO)c1O ZINC000216175390 JH Annotated Mild CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)OC(C)(C)CC3)cc1F ZINC000216200718 JH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F ZINC000216201811 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1 ZINC000216202352 JH Annotated Anodyne CCc1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216202781 JH Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216202845 JH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216203104 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NC(=O)c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)c1 ZINC000216204100 JH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4C[C@@H](C2)C(F)(F)[C@@H](C4)C3)cc1F ZINC000216204163 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2(C(F)(F)F)CCCC2)cc1F ZINC000216239601 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCC2)cc1F ZINC000216239664 JH Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCC(F)(F)CC1 ZINC000216241063 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(COC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216243131 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(COC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216243196 JH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C3CC4CC(C3)CC2C4)cc1F ZINC000216243527 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2C3CC4CC(C3)CC2C4)cc1F ZINC000216243595 JH Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F ZINC000216244205 JH Annotated Anodyne N#CC1CN(S(=O)(=O)NC(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)C1 ZINC000216245813 JH Annotated Mild COC[C@@H]1C[C@H]1c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216254211 JH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(C#N)C3CC4CC(C3)CC2C4)cc1F ZINC000216255618 JH Annotated Mild N#CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2Cl)C2CC3CC(C2)CC1C3 ZINC000216255684 JH Annotated Mild COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000216258058 JH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000216258108 JH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3(F)F)cc1F ZINC000216258146 JH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000216258188 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2(C(F)F)CCCCC2)cc1F ZINC000216263591 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000216263865 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000216263928 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3(F)F)cc1F ZINC000216263965 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000216264010 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1F ZINC000216269813 JH Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc5n[nH]nc5c4)ccc3C)cnc2[nH]1 ZINC000217031624 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(/C=C/C(F)F)CC1 ZINC000217616282 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CC2CC2)CC1 ZINC000217616379 JH Annotated Anodyne Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(CC(C)C)CC4)cc3)cccc2o1 ZINC000217621069 JH Annotated Anodyne CC(C)CC1(CO)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1 ZINC000217621855 JH Annotated Anodyne CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1 ZINC000217623134 JH Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4sc(N)nc34)cc2)CC1 ZINC000217623812 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000217626489 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CC2CC2)CC1 ZINC000217635046 JH Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ocnc34)cc2)CC1 ZINC000217635702 JH Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1 ZINC000217651053 JH Annotated Anodyne N[C@@H](CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000218135667 JH Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)N1CCOCC1 ZINC000218150387 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1 ZINC000218361653 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCn4ccnc4C3)cc2)n1 ZINC000218483853 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)[C@@H](O)c1ccccc1 ZINC000218627355 JH Annotated Anodyne C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(NC5CCOCC5)cc4c3)n2c1 ZINC000218865020 JH Annotated Mild CS(=O)(=O)NCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 ZINC000218993798 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(c2cc(C)no2)c2ccc(Cc3ccccc3)cc21 ZINC000219004059 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3c(C)cccc3Cl)cc21 ZINC000219007686 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(c2cccnc2)c2ccc(Cc3ccccc3)cc21 ZINC000219012237 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(c2cccnc2)c2ccc(Cc3ccccc3)cc21 ZINC000219012305 JH Annotated Anodyne O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC2)cn1 ZINC000219014545 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(c2ccccn2)c2ccc(Cc3ccccc3)cc21 ZINC000219025152 JH Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(c2ccccn2)c2ccc(Cc3ccccc3)cc21 ZINC000219025226 JH Annotated Anodyne CCCC(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1Cc1nccs1 ZINC000219043877 JH Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC3(CCN(C(=O)OCc4ccccc4)CC3)c3ccc(Cl)cc32)CCN1 ZINC000219047290 JH Annotated Anodyne C[C@@H]1COC[C@@H](C)N1c1cc(=O)n2c(n1)N(Cc1ccc(Cl)s1)[C@H](C(F)(F)F)CC2 ZINC000219083447 JH Annotated Anodyne in-vitro C[C@H](O)c1ccc(Cn2nc3c(c2Nc2ccc(F)cc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 ZINC000219139751 JH Annotated Anodyne C[C@@H](O)c1ccc(Cn2nc3c(c2Nc2ccc(F)cc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 ZINC000219139829 JH Annotated Anodyne C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(C(F)F)c1 ZINC000219303289 JH Annotated Anodyne N#C[C@H](Cc1ccc(-n2cc(-c3ccc4occc4c3)nn2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219311141 JH Annotated Mild C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CC(F)F)c1 ZINC000219326890 JH Annotated Anodyne CC(=O)Oc1cccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000219360316 JH Annotated Mild COCCN1CCN(c2nc(SCCc3ccc(OC)cc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219411281 JH Annotated Mild COCCN1CCN(c2nc(SCCOc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219411843 JH Annotated Mild COc1ccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1OC ZINC000219427873 JH Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1 ZINC000219444430 JH Annotated Mild COCCN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219518916 JH Annotated Mild CCN(c1cc(Cl)cc(C(=O)NCc2c(CN(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000219598237 JH Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cc3ccccc3[nH]c2=O)[nH]1 ZINC000219601830 JH Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc(-n3cccn3)cc2)[nH]1 ZINC000219602025 JH Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3[nH]ncc3c2)[nH]1 ZINC000219602129 JH Annotated Anodyne Cn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 ZINC000219669028 JH Annotated Anodyne N#Cc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000219754961 JH Annotated Anodyne N#Cc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000219755032 JH Annotated Anodyne CN(C)c1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000219785446 JH Annotated Anodyne CN(C)c1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000219785512 JH Annotated Anodyne C[C@@](O)(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000219792731 JH Annotated Anodyne C[C@](O)(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1 ZINC000219792800 JH Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)c1 ZINC000219801567 JH Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)c1 ZINC000219801637 JH Annotated Anodyne CCOc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000219959619 JH Annotated Anodyne CCOc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000219959686 JH Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963020 JH Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963719 JH Annotated Anodyne in-vitro O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022442963 JH Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(F)(F)F)no1 ZINC000220009538 JH Annotated Mild CCOc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220066032 JH Annotated Anodyne CCOc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220066091 JH Annotated Anodyne COc1ccc(OC)c(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)c1 ZINC000220079305 JH Annotated Anodyne COc1ccc(OC)c(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)c1 ZINC000220079376 JH Annotated Anodyne CN1CCC[C@@H]1CCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O ZINC000220087173 JH Annotated Anodyne CN1CCC[C@H]1CCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O ZINC000220087255 JH Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CCNc3ccccc3)ccc1-2 ZINC000220120608 JH Annotated Mild O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CCNc3ccccc3)ccc1-2 ZINC000220120672 JH Annotated Mild COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220202078 JH Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220202141 JH Annotated Anodyne CN(C(=O)c1cn2c(-c3ccc(-c4nnc(N)s4)cc3)cnc2cn1)c1ccc(C#N)cc1 ZINC000220210304 JH Annotated Mild Cc1nn(-c2ccnn2C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220221052 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)c1OC ZINC000220241320 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)c1OC ZINC000220241390 JH Annotated Anodyne CS(=O)(=O)N1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220306750 JH Annotated Anodyne CCc1nn(-c2ccnn2C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220321529 JH Annotated Anodyne CCc1nn(-c2ccnn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220321594 JH Annotated Anodyne Cc1nn(-c2ccnn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220321657 JH Annotated Anodyne CS(=O)(=O)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220365781 JH Annotated Anodyne O=S(=O)(Nc1ncccn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220595301 JH Annotated Anodyne O=S(=O)(Nc1ccncn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220602341 JH Annotated Anodyne O=S(=O)(Nc1cccnn1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220609054 JH Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@@H]2CCNC[C@H]2c2ccc(F)cc2)cc1F ZINC000220621860 JH Annotated Anodyne Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)c(C)cn3n2)c1 ZINC000220643992 JH Annotated Anodyne FC(F)(F)Cc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1 ZINC000220679103 JH Annotated Anodyne in-vitro CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@@H]4CN(C)C[C@@H]4C3)cc2)n1 ZINC000220703424 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@H]4CN(C)C[C@@H]4C3)cc2)n1 ZINC000220703561 JH Annotated Anodyne CC(=O)c1ccc(O)c(-c2cc(O)c(C(C)=O)c(-c3c(O)ccc(C(C)=O)c3O)c2O)c1O ZINC000220731553 JH Annotated Anodyne CC(=O)c1ccc(O)c2c1[C@@](C)(O)[C@@H]1Oc3ccc(O)c(C(C)=O)c3-c3c(O)c(O)c(O)c-2c31 ZINC000220732155 JH Annotated Clean O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccncc2)CC1 ZINC000220736542 JH Annotated Anodyne COc1ncccc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)o4)CC3)c2c1 ZINC000220755593 JH Annotated Anodyne CCOC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1 ZINC000220788392 JH Annotated Anodyne COc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(Cc5ccc(C(=O)O)o5)CC4)c3c2)cn1 ZINC000220789497 JH Annotated Anodyne COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)o4)CC3)c2c1 ZINC000220799021 JH Annotated Anodyne O=C(O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(-c5cccc(F)c5F)cc34)CC2)n1 ZINC000220819683 JH Annotated Anodyne CC(C)[C@@H]1C[C@H](c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC[C@@H]1[S@](C)=O ZINC000220833100 JH Annotated Mild Cn1cnc2c(N3CCC[C@H]3c3nc4cccc(Cl)c4c(=O)n3-c3ccccc3)nc(N)nc21 ZINC000221031998 JH Annotated Anodyne COc1cccc(-c2ncccn2)c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221039315 JH Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221039843 JH Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221041841 JH Annotated Anodyne COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1 ZINC000221042872 JH Annotated Anodyne O=C(c1ccc(OC(F)F)cc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221043925 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1nccn3c(C(F)(F)F)nnc13)C2 ZINC000221045163 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221046205 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000221050749 JH Annotated Anodyne O=C(c1ccc(F)cc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221051749 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ccnnc1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221053801 JH Annotated Anodyne Cc1noc(-c2c(F)cccc2C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)n1 ZINC000221054951 JH Annotated Anodyne O=C(c1cccc(F)c1-c1cccnn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221059029 JH Annotated Anodyne COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1 ZINC000221060064 JH Annotated Anodyne O=C(c1cccc(F)c1-c1cnccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221062255 JH Annotated Anodyne COc1cc(/C=C/C(=O)NCCCCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000221125008 JH Annotated Anodyne CC(C)(C(=O)NCC(F)(F)F)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221126348 JH Annotated Mild CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000221138523 JH Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@H](NCc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000221138588 JH Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1 ZINC000221141648 JH Annotated Mild N#C[C@H]1C[C@@H](C(=O)N2CC3(CCC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221159490 JH Annotated Mild CC(C)(C(=O)O)c1ccc(Nc2nn([C@H]3CC[C@H](N4CC5(CCC5)C4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221160439 JH Annotated Mild CC(C)(C(=O)O)c1ccc(Nc2nn([C@H]3CC[C@@H](N4CC5(CCC5)C4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221160553 JH Annotated Mild N#Cc1c(N)ncnc1N1CCC[C@H]1c1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccccc1 ZINC000221190506 JH Annotated Mild N#C[C@H]1C[C@@H](C(=O)NCC(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221206360 JH Annotated Mild N#Cc1cnc(N)nc1N1CCC[C@H]1c1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccccc1 ZINC000221245541 JH Annotated Mild O=C(c1ccc(NS(=O)(=O)Cc2ccccn2)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221266276 JH Annotated Anodyne CC(C)C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221268322 JH Annotated Anodyne CCCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221277006 JH Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccnc4scnc34)cc2)CC1 ZINC000221277805 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cnsc2)CC1 ZINC000221278059 JH Annotated Anodyne N#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(Cc4ccccc4)CC3)cc2)c1 ZINC000221278146 JH Annotated Anodyne N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(Cc4ccccc4)CC3)cc2)cc1 ZINC000221280278 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)nc1)N1CCC(O)(c2ccccc2)CC1 ZINC000221282895 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cn1)N1CCC(O)(c2ccccc2)CC1 ZINC000221283509 JH Annotated Anodyne CC(C)(O)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221285801 JH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000221285885 JH Annotated Clean C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000221744468 JH Annotated Clean COc1ccc2nc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)[nH]c2c1 ZINC000221757794 JH Annotated Anodyne CN1CCN(C(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)CC1 ZINC000221765170 JH Annotated Anodyne CC(C)(O)C1CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221832173 JH Annotated Mild CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221833121 JH Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221852321 JH Annotated Mild CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221852373 JH Annotated Mild N#C[C@H]1C[C@H](OCC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000221852444 JH Annotated Mild CC1(CN[C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000221854507 JH Annotated Mild CC(C)(O)C1CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221855674 JH Annotated Mild C[C@H](N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)nc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221856091 JH Annotated Mild CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221857445 JH Annotated Mild CC1(CN[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000221863493 JH Annotated Mild N#C[C@@H]1C[C@H](C(=O)N2CC3(CCC3)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221863554 JH Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CC[C@@](C)(O)C[C@@H]3C#N)cc2C(N)=O)cc1)[C@H](O)C(F)(F)F ZINC000221863797 JH Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CC[C@@](C)(O)C[C@@H]3C#N)cc2C(N)=O)cc1)[C@@H](O)C(F)(F)F ZINC000221863854 JH Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CC[C@](C)(O)C[C@@H]3C#N)cc2C(N)=O)cc1)[C@H](O)C(F)(F)F ZINC000221863972 JH Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CC[C@](C)(O)C[C@@H]3C#N)cc2C(N)=O)cc1)[C@@H](O)C(F)(F)F ZINC000221864033 JH Annotated Mild N#C[C@@H]1C[C@H](C(=O)NCC(F)(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221865148 JH Annotated Mild N#C[C@@H]1C[C@H](C(=O)NC2CC(F)(F)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221871007 JH Annotated Mild N#C[C@@H]1C[C@H](C(=O)N2CCC(F)(F)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221871444 JH Annotated Mild CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221875415 JH Annotated Mild CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221875480 JH Annotated Mild N#C[C@@H]1C[C@H](OCC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 ZINC000221879047 JH Annotated Mild N#C[C@H]1C[C@H](OCC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 ZINC000221879099 JH Annotated Mild CC1(C)CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221885785 JH Annotated Mild CC(C)(C)N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc([C@H](O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221886151 JH Annotated Mild CC1(C)CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221886211 JH Annotated Mild C[C@H](Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br ZINC000221899195 JH Annotated Anodyne CC(C)c1ccc2occ(/C=N/Nc3nc4c(c(N5CCOCC5)n3)CSCC4)c(=O)c2c1 ZINC000222044194 JH Annotated Mild CC(C)(C)c1ccc2occ(/C=N/Nc3nc4c(c(N5CCOCC5)n3)CSCC4)c(=O)c2c1 ZINC000222044274 JH Annotated Mild C[C@H]1COc2c(N3CCc4ccccc4[C@H]3C(=O)NC(C)(C)C)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000222256049 JH Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCC(N4CCCC4=O)CC3)[nH]c12 ZINC000222322637 JH Annotated Anodyne CN(C)CCCN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 ZINC000222323409 JH Annotated Anodyne CCN1CC2(CCN(C(=O)c3cc4cc(Nc5nccc(-c6cn(C)cn6)n5)cc(Cl)c4[nH]3)C2)C1 ZINC000222324525 JH Annotated Anodyne CN(C)CCCCNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 ZINC000222324667 JH Annotated Anodyne CN1CCC(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1 ZINC000222324741 JH Annotated Anodyne CCN(Cc1cnn(C)c1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 ZINC000222325073 JH Annotated Anodyne CCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)cn1 ZINC000222325141 JH Annotated Anodyne CCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)c(C)n1 ZINC000222325439 JH Annotated Anodyne CCn1nccc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 ZINC000222325624 JH Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 ZINC000222326014 JH Annotated Anodyne C[C@@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CCO1 ZINC000222326544 JH Annotated Anodyne C[C@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CCO1 ZINC000222326587 JH Annotated Anodyne C[C@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)C[C@@H](C)N1C ZINC000222326777 JH Annotated Anodyne C[C@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)C[C@H](C)N1C ZINC000222326825 JH Annotated Anodyne C[C@@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)C[C@@H](C)N1C ZINC000222326865 JH Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCn4c(cnc4C)C3)[nH]c12 ZINC000222327186 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C[C@@H]4CN(C)C[C@H]4C3)cc2)n1 ZINC000222595943 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000222661482 JH Annotated Anodyne CO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc([C@@H](C)O)n4[C@@H](C)C(F)(F)F)n2)C[C@@H]1F ZINC000222723890 JH Annotated Anodyne in-vitro CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc([C@@H](C)O)n4[C@H](C)C(F)(F)F)n2)C[C@H]1F ZINC000222726671 JH Annotated Anodyne CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc([C@@H](C)O)n4[C@@H](C)C(F)(F)F)n2)C[C@H]1F ZINC000222727828 JH Annotated Anodyne in-vitro CC(C)c1cc(C#Cc2nn([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(C(C)C)c1 ZINC000222808784 JH Annotated Mild C[C@@H]1C[C@H](O)C2=C(COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 ZINC000222923060 JH Annotated Anodyne N#C[C@@H]1C[C@H](OCC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000222973094 JH Annotated Mild C[C@H](N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)nc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000222974047 JH Annotated Mild CN(CC1(C)COC1)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979177 JH Annotated Mild CN(CC1(C)COC1)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979234 JH Annotated Mild COCC(C)(C)N(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979892 JH Annotated Mild COCC(C)(C)N(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979963 JH Annotated Mild CC1(N[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CCOCC1 ZINC000222981849 JH Annotated Mild CC1(N[C@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CCOCC1 ZINC000222981904 JH Annotated Mild N#C[C@@H]1C[C@H](C(=O)NCC(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000222982950 JH Annotated Mild NC(=O)[C@H]1CCN(c2nc(N3[C@H]4CC[C@H]3COC4)nc3scc(-c4ccccc4Cl)c23)C1 ZINC000223007477 JH Annotated Anodyne NC(=O)[C@H]1CCN(c2nc(N3[C@H]4CC[C@H]3CC(O)C4)nc3scc(-c4ccccc4Cl)c23)C1 ZINC000223009861 JH Annotated Anodyne Cn1c(OCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc21 ZINC000223387982 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)[C@H](C)C3)cc2)n1 ZINC000223593915 JH Annotated Anodyne O=C(NCc1ccc([S@@](=O)C2CCN(C3CCOCC3)CC2)cc1)c1cc2ccncc2o1 ZINC000223623175 JH Annotated Anodyne O=C(NCc1ccc([S@](=O)C2CCN(C3CCOCC3)CC2)cc1)c1cc2ccncc2o1 ZINC000223623232 JH Annotated Anodyne N[C@H](CNc1nc(-c2cc[n+]([O-])cc2)nc2c(Br)csc12)Cc1ccccc1 ZINC000223663595 JH Annotated Anodyne COCCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1 ZINC000223680620 JH Annotated Anodyne CC(C)(O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12 ZINC000223689306 JH Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3ccn[nH]3)csc12)Cc1ccccc1 ZINC000223690766 JH Annotated Mild O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1 ZINC000223775894 JH Annotated Mild in-vitro CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C)cc3C)c(F)c2)CC1 ZINC000224308138 JH Annotated Clean CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c4nccnc34)cc2)CC1 ZINC000224382866 JH Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ccc(N)nc34)cc2)CC1 ZINC000224383004 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4cc(F)c(C(F)(F)F)cc24)C3=O)cn1 ZINC000224412670 JH Annotated Anodyne COC(=O)c1ccc(O)c(NC(=O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1 ZINC000224557965 JH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H](CO)C3)cc2F)cc1F ZINC000224672175 JH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@@H](CO)C3)cc2F)cc1F ZINC000224672217 JH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)Cc3nc(=O)c4ccccc4[nH]3)cc2F)cn1 ZINC000224740142 JH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)Cc3nc(C4CC4)no3)cc2F)cn1 ZINC000224754924 JH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](CO)c3ccccc3)cc2F)cn1 ZINC000224762322 JH Annotated Anodyne CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224781477 JH Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H](CO)c3ccccc3)cc2F)cn1 ZINC000224788066 JH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@@](O)(c4ccccc4)C3)cc2F)cn1 ZINC000224793280 JH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@](O)(c4ccccc4)C3)cc2F)cn1 ZINC000224793327 JH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3cc(C(N)=O)ccc3n2)c(F)c1 ZINC000224794093 JH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c(F)c1 ZINC000224797917 JH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4cnc[nH]4)CC3)cc2F)cn1 ZINC000224801592 JH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)(C(F)(F)F)CC3)cc2F)cn1 ZINC000224811143 JH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3Cc4ccccc4C3)cc2F)cn1 ZINC000224821741 JH Annotated Anodyne C[C@H](NC(=O)CC#N)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000224865823 JH Annotated Mild Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN([C@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000022807212 JH Annotated Mild C1=N\CCN2CCN(CC/N=C\c3ccc(cc3)OCc3cccc(n3)COc3ccc/1cc3)CC2 ZINC000022860067 JH Annotated Anodyne C1=N/CCN2CCN(CC/N=C/c3ccccc3OCc3cccc(n3)COc3ccccc3/1)CC2 ZINC000022860069 JH Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)=C(O)C1 ZINC000022922070 JH Annotated Mild Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1 ZINC000022927064 JH Annotated Mild NC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927867 JH Annotated Anodyne C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022928027 JH Annotated Anodyne C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022928032 JH Annotated Anodyne C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022928036 JH Annotated Anodyne C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022928040 JH Annotated Anodyne O=C(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000022930328 JH Annotated Anodyne N[C@@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000022930332 JH Annotated Anodyne N[C@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000022930335 JH Annotated Anodyne O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022935759 JH Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022935762 JH Annotated Anodyne O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022935765 JH Annotated Anodyne COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc1 ZINC000022941207 JH Annotated Anodyne Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1 ZINC000022941211 JH Annotated Anodyne Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1O ZINC000022941218 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cnnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225045064 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)NC3=NC(=O)CS3)ccc12 ZINC000225060185 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225062604 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nncc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225062955 JH Annotated Anodyne Cc1cnc(OC2CCNCC2)c(-c2nccc3cc(S(=O)(=O)Nc4nccs4)ccc23)c1 ZINC000225086830 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225087170 JH Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3ccc(-n4ccnc4)cc3)nccc2c1 ZINC000225091979 JH Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCCCc3cn[nH]c3C(F)(F)F)nccc2c1 ZINC000225115577 JH Annotated Anodyne CN(CCO)c1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1 ZINC000225169139 JH Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225209268 JH Annotated Anodyne COC12C[C@H]3C[C@@H](CC(COc4cc(F)c(C(=O)NS(C)(=O)=O)cc4C4CC4)(C3)C1)C2 ZINC000225211763 JH Annotated Anodyne N#CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C2CC3CC(C2)CC1C3 ZINC000225222865 JH Annotated Mild O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)c(F)c1F ZINC000225230553 JH Annotated Anodyne COC1CN(S(=O)(=O)NC(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)C1 ZINC000225246774 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225248843 JH Annotated Anodyne CC1(C)CCc2cc(OCc3cc(F)c(C(=O)NS(=O)(=O)N4CCC4)cc3Cl)ccc2O1 ZINC000225249864 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCCC2CCC(F)(F)CC2)cc1F ZINC000225250236 JH Annotated Anodyne CC/C(Br)=C\C=C/[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000225653151 JH Annotated Reactive CC/C(Br)=C/C=C\[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000225653182 JH Annotated Reactive CC/C(Br)=C/C=C/[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000225653210 JH Annotated Reactive N#Cc1cnc2c(Nc3cc(F)c(F)c([C@]4(C(F)F)N=C(N)O[C@H]5C[C@H]54)c3)ncc(F)c2c1 ZINC000225700704 JH Annotated Mild Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1 ZINC000225883043 JH Annotated Anodyne O=C(c1cc(F)ccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](CNc1cccc(C(F)(F)F)n1)C2 ZINC000226050655 JH Annotated Anodyne O=C(c1cc(F)ccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](CNc1cccc(C(F)(F)F)n1)C2 ZINC000226050664 JH Annotated Anodyne CCN(C(=O)O)S(=O)(=O)N1CC=C(c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000226051503 JH Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1cccc(C(F)(F)F)n1)C2 ZINC000226051790 JH Annotated Anodyne CCN(C(=O)O)S(=O)(=O)N1CC=C(c2cc3c(-c4cc(F)ccc4OC)c(F)cnc3[nH]2)CC1 ZINC000226052421 JH Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2nccc(C(F)(F)F)n2)C3)n1 ZINC000226053612 JH Annotated Anodyne CS(=O)(=O)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000226053737 JH Annotated Anodyne COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N(C)C)C[C@@H]4C3)cc12 ZINC000226053968 JH Annotated Mild COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N(C)C)C[C@H]4C3)cc12 ZINC000226053980 JH Annotated Mild COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)c(C#N)c12 ZINC000226054258 JH Annotated Mild Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(Br)cn2)C3)n1 ZINC000226057525 JH Annotated Anodyne COCCS(=O)(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@H]2C1 ZINC000226058731 JH Annotated Anodyne COCCS(=O)(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@@H]2C1 ZINC000226058743 JH Annotated Anodyne O=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5cc(F)cc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000226065503 JH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(=O)CNC4CCC(O)CC4)CC3)cc12 ZINC000226066076 JH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C4CC(O)C4)CC3)cc12 ZINC000226069458 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ncc(C(F)(F)F)cn2)C3)n1 ZINC000226071696 JH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(=O)CN4CCC(O)CC4)CC3)cc12 ZINC000226072614 JH Annotated Anodyne N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000226087081 JH Annotated Mild COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@@H]4CN(S(C)(=O)=O)C[C@@H]4C3)cc12 ZINC000226089088 JH Annotated Mild COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@H]4CN(S(C)(=O)=O)C[C@@H]4C3)cc12 ZINC000226089103 JH Annotated Mild Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(Cl)c(F)c([C@@]2(CF)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000226089511 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Oc1ncc(C(F)(F)F)cn1)C2 ZINC000226093700 JH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N(C)C)C[C@@H]4C3)cc12 ZINC000226093723 JH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N(C)C)C[C@H]4C3)cc12 ZINC000226093734 JH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(CC(=O)N4CCC(O)CC4)CC3)cc12 ZINC000226094878 JH Annotated Anodyne CC(C)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000226901815 JH Annotated Anodyne CC(C)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000226901823 JH Annotated Anodyne C=CCOc1ccc(/C=N/N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N/C)cc1 ZINC000229869863 JH Annotated Mild CCOc1ccc(/C=N/N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N/C)cc1OC ZINC000229873462 JH Annotated Mild C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)C[C@@H](C)O1 ZINC000229919935 JH Annotated Mild O=C(Cc1ccccc1OC(=O)Cn1c(=O)sc2ccccc21)Cn1c(=O)sc2ccccc21 ZINC000023114782 JH Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(Cc1cc3ccccc3s1)CC2 ZINC000023128980 JH Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(CN4CCNCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 ZINC000023357938 JH Annotated Bother C/C=C(\C)C(=O)O[C@H]1[C@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C\SC)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000230069446 JH Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C\SC)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000230069451 JH Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@@H]2CC[C@@H](OC(=O)/C=C\SC)[C@@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000230069456 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C[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@@]321 ZINC000230082234 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C[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@@]321 ZINC000230082239 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C[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@@]321 ZINC000230082245 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C[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@@]321 ZINC000230082248 JH Annotated Anodyne in-man Cc1cc(N2CCN(C)[C@@H](C)C2)ncc1-c1ccc(-c2nc(=O)c3cccc(CO)c3[nH]2)cc1 ZINC000230471341 JH Annotated Anodyne in-vitro CN(Cc1nnnn1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1)c1ccc(F)cc1F ZINC000230562927 JH Annotated Anodyne CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5ccn[nH]5)cc4Cl)ccc32)n1 ZINC000230563377 JH Annotated Anodyne CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5nccn5C)cc4Cl)ccc32)n1 ZINC000230563488 JH Annotated Anodyne COc1ccc2ncc(=O)n(CCN3CCC(NCc4ccc(-c5cccs5)cc4)CC3)c2n1 ZINC000230564632 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](OC=O)C[C@@H](C)[C@]23CC[C@@]2(CCO[C@H]2OC(C)=O)O3)C1(C)C ZINC000230822230 JH Annotated Anodyne Cn1cc(-c2cccc(C(F)(F)F)c2)c2sc(/C(N)=N/C3CCS(=O)(=O)CC3)cc2c1=O ZINC000231374627 JH Annotated Mild in-vitro C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000231378031 JH Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000231378056 JH Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000231378748 JH Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000231378777 JH Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000231378848 JH Annotated Anodyne Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000231378875 JH Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000231378919 JH Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000231378953 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238730836 JH Annotated Anodyne COc1ccc2c(c1)oc(=O)c1ccc(O[C@@H]3c4cc(OC)c(OC)cc4O[C@H]3CO)c(OC)c12 ZINC000238730984 JH Annotated Bother COC(=O)[C@H]1O[C@@]12[C@](C)(C(=O)c1ccoc1)CC[C@@H]1[C@@]3(C)C=CC(=O)OC(C)(C)C3=CC(=O)[C@]12C ZINC000238731296 JH Annotated Mild COC(=O)[C@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CC[C@](C)(O)[C@@H](COC(C)=O)OC(C)=O ZINC000238731341 JH Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]23C(=O)C[C@H]1C ZINC000238731424 JH Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238731894 JH Annotated Mild C=C(C)[C@H]1C[C@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]2O[C@]2(C)[C@@H](OC(C)=O)[C@H]1OC(=O)/C(C)=C\C ZINC000238731940 JH Annotated Mild C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(N=C)[C@@H](O)[C@H](O)C5(C)C ZINC000238732132 JH Annotated Reactive O=C1C=C(/C=C/c2ccc(O)c(O)c2)[C@H]2C(=O)[C@@H]1[C@@H](c1ccc(O)c(O)c1)[C@@H]2c1cc(O)cc(O)c1 ZINC000238732355 JH Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@]2(C)CC[C@H]2O[C@@]2(COC(=O)/C(C)=C/C)CC[C@H]1C(C)(C)O ZINC000238732953 JH Annotated Anodyne CC(=O)O[C@H]1O[C@H]2CC(=O)C(C)=C(C)O[C@@]23C(C)=C[C@@H]2O[C@@H]4CC(=O)C=C(C)[C@H]5CC[C@]13[C@@H]2[C@]45C ZINC000238733197 JH Annotated Mild C=C1C[C@H](O)/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 ZINC000238734121 JH Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@@H](/C=C/c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 ZINC000238734193 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238734299 JH Annotated Anodyne C/C=C(/CO)C(=O)OC[C@H](C/C=C/c1ccc(OC)c(OC)c1)[C@H](O)c1ccc(OC)cc1 ZINC000238734715 JH Annotated Anodyne C=C1C2=CC(=O)O[C@@H](C3=CC(=O)O[C@@H]3OC)[C@]2(C)CC[C@H]1[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC(=O)OC ZINC000238734728 JH Annotated Mild COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C=C(C)C)(C1)[C@H]23 ZINC000238735138 JH Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)O[C@@H]1OC(C)=O ZINC000238735157 JH Annotated Anodyne CC1(C)O[C@@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@H]5c3ccoc3)OO2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238735204 JH Annotated Reactive C[C@]12CC[C@H]3[C@@H](C=CC4=CC=CC(=O)[C@@]43C)[C@@H]1CC[C@@]2(O)[C@@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O ZINC000238735390 JH Annotated Mild CC(=O)Oc1c2c(c(OC(C)=O)c(C(C)C)c1OC(C)=O)C(=O)C[C@@H]1[C@]3(CCC[C@]1(C)C(=O)O3)C2 ZINC000238735784 JH Annotated Anodyne COc1ccc(CCC(=O)O[C@@H]2[C@@H](O)[C@@H]3C[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)cc1OC ZINC000238735883 JH Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1OC(=O)c1ccccc1 ZINC000238735890 JH Annotated Anodyne C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]([C@@]1(C)OC(=O)C(C)=C1O)[C@H]2C(=O)/C=C/C=C/C ZINC000238737349 JH Annotated Mild CC(=O)OC[C@]12CCC[C@@]3([C@H]4[C@H](OC(C)=O)OC=C(C(=O)CCC(C)C)[C@@H]4C[C@@H]13)[C@H]2OC(C)=O ZINC000238737560 JH Annotated Mild N=CN1CCCCN(C(=O)/C=C\c2ccccc2)CCCNC(=O)C[C@@H](c2ccccc2)NCCC1 ZINC000238737574 JH Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)C[C@@]2(OC(=O)c3ccccc3)C(=O)[C@]3(C)[C@H]4[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@H](O)[C@H]12 ZINC000238737898 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@@H]3O[C@@]34[C@@H]3CC=C5C=CCC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1 ZINC000238737924 JH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=CC=CC(=O)[C@@]43C)[C@@H]1CC[C@@]2(O)[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O ZINC000238738025 JH Annotated Mild CCC(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000238738074 JH Annotated Mild CO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)[C@H]3CC(C)=C(CO)C(=O)O3)[C@@H]1C[C@H]2O ZINC000238738173 JH Annotated Mild CCO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 ZINC000238739590 JH Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@@H]1CC[C@]3(C(=O)C[C@H]4C(=C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@H]43)C3=C1[C@H]2C(=C)C3=O ZINC000238739880 JH Annotated Mild COC(=O)CCC(=O)OC/C=C(\C)CCC1=C(C)C(=O)C[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]12C ZINC000238739993 JH Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccco3)OC(=O)[C@H]3O[C@]321 ZINC000238740021 JH Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1OC(C)=O ZINC000238740498 JH Annotated Anodyne Oc1cc(O)cc(Oc2cc(O)c(Oc3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)c(O)c2)c1 ZINC000238740572 JH Annotated Anodyne CO[C@H]1C[C@H](Cl)[C@@H]2C[C@H](C=C=CBr)O[C@H](C)[C@@H](O)[C@H](C[C@H]1Br)O2 ZINC000238740627 JH Annotated Reactive C/C=C(/CO)C(=O)OC[C@@H](C/C=C/c1ccc(OC)c(OC)c1)[C@H](O)c1ccc(OC)c(OC)c1 ZINC000238740744 JH Annotated Anodyne COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1OC/C=C(/C)C[C@@H]1C=C(C)C(=O)O1 ZINC000238741013 JH Annotated Bother C/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C[C@@H](O)[C@@H]1C ZINC000238741916 JH Annotated Anodyne C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](OC(=O)/C(C)=C\C)[C@H]1O ZINC000238742085 JH Annotated Reactive C=C(C(C)C)[C@H](O)[C@H]1Cc2c(cc3oc4ccc(C)c(O)c4c(=O)c3c2OC(C)=O)O[C@]1(C)O ZINC000238742100 JH Annotated Mild C[C@H]1C2=CC(=O)OC2=C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000238742224 JH Annotated Anodyne CC(C)=CCC/C(=C/CC[C@@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@@H](O)[C@@H]2[C@@H]1CC[C@]2(C)O)C(=O)O ZINC000238742240 JH Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@H](C)CCC[C@@H](O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238742586 JH Annotated Mild CC(C)C[C@H]1NC(=O)[C@H](NC(=O)/C=C/c2ccccc2)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238743245 JH Annotated Anodyne CCCCCc1cccc(O)c1C1=N[C@H]([C@H]2SC[C@H]([C@H](O)C(C)(C)C(=O)O)N2C)CS1 ZINC000238743430 JH Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]23C(=O)C[C@H]1C ZINC000238743533 JH Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccco4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)CCC(=O)[C@@]1(C)[C@@H]23 ZINC000238743536 JH Annotated Anodyne CCCC[C@H](OCCOCCOCCOCCO)[C@H](O)C/C=C\CCCCCCCC(=O)OC ZINC000238743599 JH Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@@H](O)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000238743685 JH Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@]2(COC(C)=O)C3=C(C[C@@H](OCc4ccccc4)[C@@H]12)C(=O)OC3 ZINC000238743873 JH Annotated Anodyne CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000238743994 JH Annotated Mild C=C[C@@](O)(CC[C@](C)(O)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000238744593 JH Annotated Mild COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)[C@H]1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000238744857 JH Annotated Anodyne CCO[C@H]1OC[C@@H]2[C@@H](c3ccc(OC(C)=O)c(OC)c3)c3cc(OC(C)=O)c(OC)cc3C[C@H]12 ZINC000238745002 JH Annotated Anodyne C=C1C[C@]2(O)O[C@@H]([C@H]3[C@H](C(C)C)CC[C@](C)(OC(=O)CCC)[C@H]32)[C@@](C)(O)CC[C@H]1OC(C)=O ZINC000238745118 JH Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@H](C)CCCC(=O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000238745447 JH Annotated Mild COc1ccccc1OC[C@@H]1C(=O)OC[C@H]1[C@H](OC(=O)c1ccc(O)cc1)Oc1ccccc1OC ZINC000238745555 JH Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]3O)OCO2 ZINC000238745571 JH Annotated Anodyne C=C(C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)C[C@H]2O[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1OC(C)=O ZINC000238745971 JH Annotated Mild O=C1C[C@@H](c2ccccc2)N2C=[N+](CCCCN(C(=O)/C=C\c3ccccc3)CCCN1)CCC2 ZINC000238746144 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)c5cccc(O)c5[C@H]4CC[C@@]32C)C1 ZINC000238746158 JH Annotated Anodyne CNCCOC(=O)/C=C1/CC[C@@H]2[C@@H](C(=O)C[C@H]3C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]23C)[C@H]1C ZINC000238746525 JH Annotated Anodyne C#CC#CCC/C=C/C(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@](CC(=O)OC)(CC[C@@H]12)[C@@H]43 ZINC000238746742 JH Annotated Mild CCC[C@H](O)CCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000238746945 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4C[C@@H](O)[C@@]32C)C1 ZINC000238747001 JH Annotated Anodyne CC1(C)C[C@@H](Cl)[C@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@@]21N3c1cc(Br)ccc14 ZINC000238747403 JH Annotated Reactive C=C1C[C@H](OC(C)=O)[C@H]2[C@](C)(CC[C@H](OC(C)=O)C(C)(C)O)CCC[C@@]23CO[C@H](OC(C)=O)[C@@H]13 ZINC000238747536 JH Annotated Mild COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](OC(C)=O)[C@]3(C)[C@@H]2[C@](O)(C(C)C)C[C@H]3OC(C)=O)cc1 ZINC000238747632 JH Annotated Anodyne C/C1=C\CC(=O)O[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@@H](C)[C@]2(C)O[C@@H]2[C@@H]3/C=C/C[C@@H](C)C1=O ZINC000238748106 JH Annotated Mild C=C(C)[C@@H]1C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C1)C(C)=C[C@H](OC(C)=O)[C@@H]2OC(=O)/C(C)=C/C ZINC000238748478 JH Annotated Mild CC(/C=C\C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238748721 JH Annotated Mild CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@H](C)C/C=C/[C@@H]3[C@@H](O)[C@H]1C ZINC000238749086 JH Annotated Anodyne CC1=C[C@@H]2C[C@H](C)CC[C@H]2[C@](C)(C(=O)C2=C(O)CNC2=O)[C@H]1C[C@H](C)O[C@@H]1CC[C@@H](N)[C@H](C)O1 ZINC000238749126 JH Annotated Mild COc1cc(OC)c(C(=O)O[C@H]2C[C@@]3(C)CC[C@H](C(C)C)[C@@]3(O)CC[C@]2(C)O)cc1OC ZINC000238749310 JH Annotated Anodyne COc1cc2c(cc1OC(C)=O)C[C@H]1Cc3cc(OC)c(OC(C)=O)cc3[C@@H]2[C@H]1COC(C)=O ZINC000238749838 JH Annotated Anodyne C[C@H]1[C@@H]2Cc3c(oc4c5c(cc(O)c4c3=O)OC(C)(C)C=C5)-c3c(O)cc(O)c(c32)O[C@H]1O ZINC000238749939 JH Annotated Anodyne CCC(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3 ZINC000238750504 JH Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H](C(C)C)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]2O[C@]2(C)CC/C=C(\C)[C@H]1OC(C)=O ZINC000238750531 JH Annotated Anodyne COc1c(C)c([C@@](C)(O)[C@@H](OC(C)=O)/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@@H]23)oc(=O)c1C ZINC000238751173 JH Annotated Anodyne CC(C)=CCC/C(=C/CC[C@@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@@H](O)[C@H]2[C@H]1CC[C@]2(C)O)C(=O)O ZINC000238751246 JH Annotated Mild CC(C)=CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)c3ccccc3)[C@H]21 ZINC000238752156 JH Annotated Mild C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@H](O)CCC/C=C/C(=O)O1 ZINC000238752199 JH Annotated Reactive CC(=O)O[C@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000238752327 JH Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000238752704 JH Annotated Mild C[C@@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000238752721 JH Annotated Anodyne COc1cc(/C=C(\C)C2=N[C@H]3C[C@@]4(C(=O)N(OC)c5ccccc54)[C@H]4C[C@@H]2[C@@H]3CO4)ccc1O ZINC000238753101 JH Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)C[C@H]3C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]23C)[C@H]1C ZINC000238753355 JH Annotated Anodyne C=C(C)[C@@H]1C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C1)C(C)=C[C@H](OC(C)=O)[C@@H]2OC(=O)/C(C)=C\C ZINC000238753805 JH Annotated Mild N=CN1CCCCN(C(=O)/C=C/c2ccccc2)CCCNC(=O)C[C@@H](c2ccccc2)NCCC1 ZINC000238754598 JH Annotated Anodyne C/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C/CC/C=C/C[C@@H](O)[C@@H]1C ZINC000238755345 JH Annotated Anodyne CC1=CCC[C@H]2[C@@H](C)C[C@@](C)(CC3=C(O)C(=O)C=C(NCCS(=O)(=O)O)C3=O)C[C@]12C ZINC000238755486 JH Annotated Mild C=C1C[C@@H](O)/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 ZINC000238755828 JH Annotated Mild CC(=O)OC[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)COC(=O)C(C)C ZINC000238755997 JH Annotated Anodyne COC(=O)CC(=O)OCC1=CCC[C@H]2[C@@]1(C)C[C@@H](O)[C@@H](C)[C@]2(C)CC[C@@H]1CO[C@@H](OC)C1 ZINC000238756309 JH Annotated Anodyne COc1ccc(CCC(=O)O[C@@H]2[C@H](O)[C@H]3C[C@H](C)C[C@@]45[C@H]3CCCN4CCC[C@@H]25)cc1OC ZINC000238756568 JH Annotated Anodyne CCCC[C@H](O)[C@H](C/C=C\CCCCCCCC(=O)OC)OCCOCCOCCOCCO ZINC000238756885 JH Annotated Anodyne COc1cc(C[C@@H](COC(C)=O)Oc2ccc(CCCOC(C)=O)cc2OC)ccc1OC(C)=O ZINC000238757001 JH Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@H](O)C=C2CC=CC(=O)[C@@]21C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000238757099 JH Annotated Mild C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]([C@]1(C)OC(=O)C(C)=C1O)[C@H]2C(=O)CC/C=C/C ZINC000238757463 JH 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]1O ZINC000238757469 JH Annotated Mild COC(=O)CCCC#CC#C[C@@H](Br)[C@@H](O)CCCCC#C/C=C/Br ZINC000238757602 JH Annotated Reactive COc1cc(C=O)cc(-c2cc(/C=C/COC(C)=O)cc(OC)c2OC(C)=O)c1OC(C)=O ZINC000238758111 JH Annotated Anodyne 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](O)[C@](C)(O)[C@H]1OC(C)=O ZINC000238758221 JH Annotated Mild C=C[C@@](C)(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000238758318 JH 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]2OC(=O)[C@]3(C)C=CC(=O)[C@]1(C)[C@H]23 ZINC000238758759 JH Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccco4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000238759402 JH Annotated Mild CC/C(Br)=C\C=C\[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000238760040 JH Annotated Reactive CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C ZINC000238760053 JH Annotated Mild CC(=O)Oc1c(C)cc2c(c1O)C(=O)C(c1ccc3cc(C)c(OC(C)=O)c(O)c3c1O)=CC2=O ZINC000238760572 JH Annotated Mild C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(C)=O)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238760629 JH Annotated Anodyne CC(=O)/C=C1/OC(/C=C/c2ccc(O)c(O)c2)=CC(O)=C2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]21 ZINC000238761136 JH Annotated Mild CC(=O)OC[C@]1(CCc2ccoc2)[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H]1CC[C@H]1O[C@]12C ZINC000238761311 JH Annotated Anodyne C[C@@H](C[C@H]1C(=O)N(C)[C@](O)(C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000238761325 JH Annotated Anodyne CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)OO2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238761917 JH Annotated Reactive C=C1C=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 ZINC000238762087 JH Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C/C=C/[C@H]3[C@@H]1OO ZINC000238762400 JH Annotated Reactive C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238762418 JH Annotated Mild O=c1oc2cc(O)c(O)cc2c2c(-c3ccc(O)c(O)c3)c3n(c12)CCc1cc(O)c(O)cc1-3 ZINC000238762458 JH Annotated Clean COc1ccc(O)cc1C(=O)CCc1c(O)cc(OC)c(Cc2ccc(O)c(O)c2)c1OC ZINC000238762785 JH Annotated Clean C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000238762874 JH Annotated Mild O=c1cc(O)cc([C@H]2c3c(cc(/C=C/c4ccc(O)cc4)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1 ZINC000238762921 JH Annotated Clean C=C1[C@H](O)C/C(C)=C\CC[C@@H]2C([C@@H](C/C=C(\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000238763046 JH Annotated Mild COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3[C@H](O)CCCN13)OC(=O)/C=C\c1ccc(O)c-2c1 ZINC000238763151 JH Annotated Anodyne C=C(C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)C[C@H]2O[C@@]2(C)[C@@H](OC(C)=O)[C@H]1OC(=O)/C(C)=C\C ZINC000238763271 JH Annotated Mild COC(=O)CCC(=O)OC/C=C(\C)CCC1=C(C)[C@H](O)C[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]12C ZINC000238763477 JH Annotated Anodyne CCCC[C@H](OCCOCCOCCOCCO)[C@H](O)C/C=C/CCCCCCCC(=O)OC ZINC000238763544 JH Annotated Anodyne C[C@H]1/C(=C/C(=O)N(C)CCO)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 ZINC000238763687 JH Annotated Anodyne Cc1nc(/C=C(\CO)[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)CC(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000238763810 JH Annotated Anodyne COc1ccc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1OC ZINC000238764122 JH Annotated Anodyne CC(/C=C/C=C/C=C/C=C/C(=O)C1=C(O)[C@@H](CCC(=O)O)N(C)C1=O)=C\[C@H](C)[C@@H](O)C(C)C ZINC000238764191 JH Annotated Mild O=C1C=C(/C=C\c2ccc(O)c(O)c2)[C@H]2C(=O)[C@@H]1[C@@H](c1ccc(O)c(O)c1)[C@@H]2c1cc(O)cc(O)c1 ZINC000238764555 JH Annotated Mild C=CCc1cc2c(cc1OC)O[C@H]([C@@H]1[C@@]34C[C@H](C(C)(C)O)[C@]1(CC=C)C(=O)C=C3OCO4)O2 ZINC000238764655 JH Annotated Mild C/C=C(/C)C(=O)OC[C@](O)(COC(=O)[C@H](C)CC)c1ccc(COC(=O)[C@H](C)CC)cc1O ZINC000238764998 JH Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)O[C@H]3OC(C)=O)[C@H]1CCC[C@]21CO1 ZINC000238765057 JH Annotated Anodyne C=C1[C@H](OC(C)=O)C[C@@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@@H]2C(C)=CC[C@@H]12 ZINC000238765352 JH Annotated Mild O=C1CCC(c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN3CCCC[C@@H]23)=C2[C@@H]3C[C@H](CN12)[C@@H]1CCCCN1C3 ZINC000238765624 JH Annotated Anodyne COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@@H](C)[C@H](C)[C@H]4C)cc4c(=O)oc1c2c34 ZINC000238765998 JH Annotated Bother CC(=O)OC/C(=C\CC/C(=C\CO)COC(C)=O)CC/C=C(/CC/C=C(\C)CO)COC(C)=O ZINC000238766501 JH Annotated Anodyne CC1=C(C)[C@H](OO)[C@H]2/C=C/C[C@@H](C)[C@H](O)[C@H](C)/C=C/C(=O)[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]13 ZINC000238766513 JH Annotated Reactive C/C=C(/C)C(=O)OC[C@@]12CC[C@@H](C(C)(C)O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]3O[C@]3(C)CC[C@H]1O2 ZINC000238766889 JH Annotated Anodyne 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(C)=O ZINC000238767149 JH Annotated Mild COC(=O)[C@@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CC[C@@](C)(O)[C@H](COC(C)=O)OC(C)=O ZINC000238767312 JH Annotated Anodyne CC1(C)[C@@H](Br)C[C@@H](O)[C@@]1(C)[C@]1(O)CC[C@@]2(C)[C@H](Br)CC[C@](C)(O)[C@]2(O)C1 ZINC000238767841 JH Annotated Reactive COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)c4ccc5c(c4=C(C)[C@@]23C)=CC(=O)C(O)=C5C)CC1=O ZINC000238768038 JH Annotated Mild C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@](C)(O)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@@](O)(C(=O)CCCCCCC)C[C@H]1O ZINC000238768747 JH Annotated Mild CC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N/C=C/[C@]1(CC=C(C)C)C(=O)Nc2ccccc21)C(C)C)C(C)C ZINC000238769051 JH Annotated Anodyne COc1ccc([C@@]23C(=O)Oc4cc(O)cc(c42)C(=O)C(=C2C=CC(=O)C=C2)c2c(O)cc(O)cc23)cc1 ZINC000238769902 JH Annotated Mild C/C=C(/CO)C(=O)OC[C@@H](C/C=C/c1ccc(OC)cc1)[C@H](O)c1ccc(OC)c(OC)c1 ZINC000238770717 JH Annotated Anodyne CCCC(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C/C(C)=C/CC[C@@H](C)[C@@H]2CC[C@](C)(O2)[C@H]1OC(C)=O ZINC000238771205 JH Annotated Anodyne C[C@]1(CO)CC[C@]2(C=C3C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(CO)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C1 ZINC000238771406 JH Annotated Anodyne CC[C@@H]1[C@@H](Br)C[C@@H](Br)[C@]2(O)O[C@H]3C[C@H](C=C=CBr)O[C@H]3[C@H]12 ZINC000238771520 JH Annotated Reactive CCCC[C@H](O)[C@H](C/C=C/CCCCCCCC(=O)OC)OCCOCCOCCOCCO ZINC000238771551 JH Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@H](C)C/C=C/[C@@H]3[C@H](O)[C@H]1C ZINC000238771652 JH Annotated Anodyne C/C=C1\C=C(\C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)NC(=O)[C@H](C)C1=O ZINC000238771669 JH Annotated Mild C/C=C1\C=C(/C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)NC(=O)[C@H](C)C1=O ZINC000238771680 JH Annotated Mild C/C1=C\CC/C(COC(=O)C[C@@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC1 ZINC000238772163 JH Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C2O[C@@]3(C)C4=CC[C@@H]([C@@H]5CC(=O)O[C@H]5O)[C@]4(C)CC[C@@H]3[C@@]21C ZINC000238772222 JH Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)[C@@H]2OC(C)=O ZINC000238773280 JH Annotated Anodyne C=C1C[C@H]2O[C@@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(=O)CCC)[C@H]42)[C@@H](C)CO[C@@]3(C)[C@H](OC(C)=O)CC1=O ZINC000238773547 JH Annotated Mild C=C[C@](C)(O)CC[C@H]1[C@]23CO[C@@]1(C)[C@H](O)C[C@H]2C(C)(C)[C@H](OC(C)=O)[C@H](OC(=O)/C(C)=C\C)C3 ZINC000238773592 JH Annotated Mild COc1cc2c(cc1OC(C)=O)[C@H]1c3cc(OC(C)=O)c(OC(C)=O)cc3C[C@@H](C2)[C@@H]1COC(C)=O ZINC000238773632 JH Annotated Anodyne COC(=O)C1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@@H](COC(C)=O)OC(C)=O ZINC000238775446 JH Annotated Anodyne COc1cccc(OC)c1CCC(=O)O[C@@H]1[C@H](O)[C@H]2C[C@H](C)C[C@@]34[C@H]2CCCN3CCC[C@@H]14 ZINC000238775838 JH Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@@H]1CC[C@@](C)([C@@H](O)c2ccoc2)[C@]2(O)CC(=O)O[C@]12C ZINC000238776037 JH Annotated Mild C[C@]12C[C@@H](O)[C@@H](O)C(CO)(CO)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C[C@]3(CC[C@]21C)CC[C@@](C)(CO)C3 ZINC000238776302 JH Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/CC[C@@H]1C ZINC000238776304 JH Annotated Anodyne CC(=O)OC1=C(OC(C)=O)c2c(OC(C)=O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@H](C)O4 ZINC000238776465 JH Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H](C(C)C)[C@H](OC(=O)[C@H](C)[C@H](C)OC(C)=O)[C@H]2O[C@]2(C)CC/C=C(\C)[C@H]1O ZINC000238776687 JH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2O ZINC000238776986 JH Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C2O[C@@]3(C)C4=CC[C@@H](C5=C[C@@H](O)OC5=O)[C@]4(C)CC[C@@H]3[C@@]21C ZINC000238777120 JH Annotated Mild COC(=O)CCCC#CC#C[C@@H](Br)[C@H](O)CCCCC#C/C=C/Br ZINC000238777387 JH Annotated Reactive 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]1CC[C@H]2C(C)(C)O ZINC000238777661 JH Annotated Anodyne COc1cc(C)c2c(c1C)Oc1c(c(C)c(OC(C)=O)c3c1[C@@H](OC(C)=O)OC3=O)OC2=O ZINC000238777741 JH Annotated Anodyne COc1cc([C@H]2c3cc(OC(C)=O)c(OC)cc3[C@@H](OC(C)=O)[C@@H]3COC[C@H]23)ccc1OC(C)=O ZINC000238777940 JH Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@]3(C)CC[C@H](C(C)C)[C@@]3(O)CC[C@]2(C)O)cc(OC)c1OC ZINC000238778142 JH Annotated Anodyne O=C1CCC(c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN3CCCC[C@H]23)=C2[C@H]3C[C@@H](CN12)[C@H]1CCCCN1C3 ZINC000238778547 JH Annotated Anodyne CCO[C@@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 ZINC000238778705 JH Annotated Anodyne CC(=O)O[C@H]1/C=C\[C@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000238779130 JH Annotated Anodyne C=C1CCC(=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@@H]1O ZINC000238779149 JH Annotated Mild CC1=C[C@H]2/C=C/C[C@@H](C)C(=O)[C@@](C)(O)/C=C\OC(=O)O[C@]23C(=O)N[C@@H](Cc2ccc(O)cc2)[C@@H]3[C@H]1C ZINC000238779194 JH Annotated Anodyne COC(=O)[C@H]1O[C@@]12[C@](C)(C(=O)c1ccoc1)CC[C@@H]1[C@@]3(C)C=CC(=O)OC(C)(C)[C@H]3CC(=O)[C@]12C ZINC000238779386 JH Annotated Anodyne C/C=C1/C=C(/C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)NC(=O)[C@H](C)C1=O ZINC000238779652 JH Annotated Mild C/C=C1/C=C(\C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)NC(=O)[C@H](C)C1=O ZINC000238779659 JH 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(C)=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000238779822 JH Annotated Mild C/C1=C\CC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](C)C1=O ZINC000238779983 JH Annotated Mild C=C[C@]1(C)C[C@@H](O)[C@@H]2[C@@](C)(O1)C(=O)C[C@@H]1C(C)(C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H](OC(C)=O)[C@]12C ZINC000238780330 JH Annotated Mild CCO[C@@]1(C)[C@H](O)CC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)C[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000238780907 JH Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H](/C=C/c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 ZINC000238780984 JH Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@@](C)(O)/C=C\OC(=O)O[C@]23C(=O)N[C@@H](Cc2ccc(O)cc2)[C@@H]3[C@@H]1C ZINC000238781549 JH Annotated Anodyne COc1cc([C@H]2Oc3ccc(CCCOC(C)=O)cc3[C@@H]2COC(C)=O)ccc1OC(C)=O ZINC000238781723 JH Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000238782145 JH Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)CC(=O)[C@H]3O[C@]321 ZINC000238782350 JH Annotated Anodyne CO[C@@]1(C)[C@H](O)CC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)C[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000238782356 JH Annotated Anodyne COC(=O)CC(=O)OCC1=CCC[C@H]2[C@@]1(C)C[C@@H](O)[C@@H](C)[C@]2(C)CC[C@@H]1CO[C@H](OC)C1 ZINC000238782404 JH Annotated Anodyne C=C(C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)C[C@H]2O[C@@]2(C)[C@@H](OC(C)=O)[C@H]1OC(=O)C=C(C)C ZINC000238782783 JH Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CCC[C@]([C@@H](C)OC(=O)C=C(C)C)(C1)[C@@H]23 ZINC000238783007 JH Annotated Anodyne CCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000238783140 JH Annotated Mild COc1c(OC)c(C(=O)O)c2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@@H](C)[C@H](C)C2 ZINC000238784143 JH Annotated Anodyne C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]23)[C@@](C)(OC(=O)CCC)CC[C@H]1O ZINC000238784476 JH Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@H]1CC[C@]3(C(=O)C[C@@H]4C(=C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@H]43)C3=C1[C@H]2C(=C)C3=O ZINC000238784795 JH Annotated Mild COC(=O)CCCC#CC#CCCCC[C@@H](O)[C@@H](Br)C#C/C=C/Br ZINC000238785084 JH Annotated Reactive CC(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@](C)(O)[C@](C)(/C=C/C2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]21C ZINC000238785096 JH Annotated Anodyne C[C@@H](CCC[C@@H](C)CCC[C@H](CCCC(C)(C)O)COS(=O)(=O)O)COS(=O)(=O)O ZINC000238785188 JH Annotated Anodyne CCCC(=O)O[C@H]1CC/C(C)=C\C=C(/[C@H](C)C(=O)OC)C(=O)[C@@H]2[C@@H](C)[C@@H](O)C[C@@H](OC(C)=O)[C@@]12C ZINC000238785422 JH Annotated Mild C=C1[C@@H](O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000238785442 JH Annotated Mild CC(/C=C\C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238785499 JH Annotated Mild CC(/C=C/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238785500 JH Annotated Mild CC(/C=C/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238785502 JH Annotated Mild Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(-c3c(O)cc(O)cc3O)c(O)cc2O)c(O)c1 ZINC000238785590 JH Annotated Anodyne CC[C@@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)[C@@]2(O)CO1 ZINC000238786718 JH Annotated Mild CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)[C@@]2(O)CO1 ZINC000238786720 JH Annotated Mild C/C=C(/C)C(=O)C1=C2C3=CN(CCO)C(/C=C\[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000238786766 JH Annotated Mild C/C=C(/C)C(=O)C1=C2C3=CN(CCO)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000238786767 JH Annotated Mild C/C=C(\C)C(=O)C1=C2C3=CN(CCO)C(/C=C\[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000238786769 JH Annotated Mild COC(=O)CCCC#CC#CCCCC[C@@H](Br)[C@H](O)C#C/C=C/Br ZINC000238787424 JH Annotated Reactive CC(=O)O[C@H]1/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000238787710 JH Annotated Anodyne CC(=O)O[C@H]1/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000238787712 JH Annotated Anodyne C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)C[C@H](OC(C)=O)[C@](C)(O)[C@@H]23)[C@@](C)(OC(=O)CCC)CC[C@H]1O ZINC000238787946 JH Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1O[C@H]2[C@](C)(OC(=O)CCC)CCC(=O)[C@H](C)[C@H]1O ZINC000238788631 JH Annotated Mild C=CC(C)(C)[C@@]12C=C3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000238788727 JH Annotated Mild CC1(C)CC[C@]2(CC[C@]3(C)[C@H](C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@H]2O)C1 ZINC000238788826 JH Annotated Anodyne CC(=O)OC/C1=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)CC1 ZINC000238788968 JH Annotated Anodyne COn1c2ccccc2c2ccnc(CCn3ccc4c5n(c(=O)c(=O)cc3-5)c3ccccc43)c21 ZINC000238789000 JH Annotated Bother CC(=O)O[C@@H](C)[C@@](C)(OC(C)=O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)OC(C)=O ZINC000238789102 JH Annotated Mild CC/C(Br)=C/C=C/[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O ZINC000238789259 JH Annotated Reactive CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@H](C)C/C=C\[C@@H]3[C@@H](O)[C@H]1C ZINC000238789381 JH Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@H](C)C/C=C\[C@@H]3[C@@H](O)[C@H]1C ZINC000238789382 JH Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@H](C)C/C=C/[C@@H]3[C@@H](O)[C@H]1C ZINC000238789383 JH Annotated Anodyne O=C(O)COc1ccc(-c2cnc(CNC(=O)Nc3ncc(Sc4ccccn4)s3)[nH]2)cc1 ZINC000024952251 JH Annotated Anodyne in-vivo CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245235268 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245235271 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000245235986 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000245235987 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000245235988 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000245235989 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245236183 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245236184 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245236185 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245236186 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245236611 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000245236612 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000245236613 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245236614 JH Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NC[C@H]3CCCO3)c3ccccc3C(=O)N1CC2 ZINC000245257668 JH Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NC[C@H]3CCCO3)c3ccccc3C(=O)N1CC2 ZINC000245257669 JH Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248086625 JH Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248086630 JH Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248086635 JH Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248086642 JH Annotated Anodyne O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc2cccnc12 ZINC000002602303 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2/N=C/c2ccc(OC(F)F)cc2)c1 ZINC000002623849 JH Annotated Mild COc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000002627782 JH Annotated Reactive COc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000002627783 JH Annotated Reactive COc1cc(CCC(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc(OC)c1OC ZINC000002635145 JH Annotated Anodyne Cc1nn(CCc2nnn[nH]2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000002638150 JH Annotated Anodyne Cc1nc2nc3c(c4c(C#N)c(N5C[C@@H](C)O[C@H](C)C5)nc([nH]1)c24)CC(=O)N3c1ccccc1 ZINC000002659832 JH Annotated Mild Cc1nc2nc3c(c4c(C#N)c(N5C[C@H](C)O[C@@H](C)C5)nc([nH]1)c24)CC(=O)N3c1ccccc1 ZINC000002659833 JH Annotated Mild Cc1nc2nc3c(c4c(C#N)c(N5C[C@H](C)O[C@H](C)C5)nc([nH]1)c24)CC(=O)N3c1ccccc1 ZINC000002659834 JH Annotated Mild Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccccc1F ZINC000002660046 JH Annotated Mild O=C(Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1ccc2c(c1)OCCO2 ZINC000002688482 JH Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(=O)N2 ZINC000002724267 JH Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(=O)N2 ZINC000002724268 JH Annotated Anodyne CCOc1cc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc(OCC)c1OCC ZINC000002885805 JH Annotated Anodyne O=C(O)CCCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccsc2c1=O ZINC000002925540 JH Annotated Anodyne CN(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(=O)O)cc1 ZINC000002925615 JH Annotated Anodyne Cc1c(C(=O)NCCC2=CCCCC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000002926565 JH Annotated Anodyne Cc1c(C(=O)NCCC2=CCCCC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000002926566 JH Annotated Anodyne Cc1c(C(=O)NCCC2=CCCCC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000002926567 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCc3ccc(C)cc3)c21 ZINC000002928064 JH Annotated Anodyne Cc1ccc(CCNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1 ZINC000002928066 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)c21 ZINC000002928075 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c21 ZINC000002928088 JH Annotated Anodyne COc1cc(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc(OC)c1 ZINC000002928092 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCc3cccc(C)c3)c21 ZINC000002928097 JH Annotated Anodyne Cc1ccc(-n2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)c3ccccc3c2=O)cc1C ZINC000002938122 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(Br)cc3)C[C@H]2C)c1 ZINC000002940529 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(Br)cc3)C[C@@H]2C)c1 ZINC000002940530 JH Annotated Anodyne Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)N4C[C@@H](C)C[C@H](C)C4)n3n2)n1 ZINC000002969197 JH Annotated Anodyne Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)N4C[C@H](C)C[C@@H](C)C4)n3n2)n1 ZINC000002969199 JH Annotated Anodyne O=C(NCCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250076001 JH Annotated Anodyne O=C(NCCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250076004 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccccc2)(C(=O)O)N[C@H]3c2cccs2)cc1 ZINC000250641564 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccccc2)(C(=O)O)N[C@H]3c2cccs2)cc1 ZINC000250641565 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccs4)N[C@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000250641566 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000250728392 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000250728395 JH Annotated Anodyne O=C(c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000250809669 JH Annotated Anodyne Cc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000250963137 JH Annotated Anodyne Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000250963140 JH Annotated Anodyne CC[C@@H](C)N(CCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)Cc1ccco1 ZINC000252032400 JH Annotated Anodyne CC[C@H](C)N(CCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)Cc1ccco1 ZINC000252032401 JH Annotated Anodyne O=C1CC[C@H](C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)N1 ZINC000252511032 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481213 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481214 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481215 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481412 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481413 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481414 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2N(C3CC3)C(=O)[C@@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)CCC[C@H]1C ZINC000253481456 JH Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(C3CC3)C(=O)[C@@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000253481457 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2N(C3CC3)C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)CCC[C@H]1C ZINC000253481458 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000253481522 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000253481523 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000253481524 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000253481525 JH Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000253481684 JH Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000253481685 JH Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000253481686 JH Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000253481687 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000253481692 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000253481693 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000253481694 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000253481695 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481783 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481784 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481785 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481869 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481870 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481871 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(CCC(C)C)[C@H]4C(=O)NC2CCCCC2)cc1C ZINC000253481936 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@H]24)cc1C ZINC000253481937 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)NC2CCCCC2)cc1Cl ZINC000253482007 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)C)C(=O)[C@H]24)cc1Cl ZINC000253482008 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000253482657 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000253482658 JH Annotated Anodyne CC(C)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483223 JH Annotated Anodyne CC(C)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483224 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483255 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483256 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483257 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483359 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483360 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483361 JH Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483362 JH Annotated Anodyne CCOc1cc2nc(=S)n(Cc3ccc(C(=O)NCCOC)cc3)c(O)c2cc1OCC ZINC000253496834 JH Annotated Anodyne CCOc1cc2nc(=S)n(Cc3ccc(C(=O)NCC(OC)OC)cc3)c(O)c2cc1OCC ZINC000253496909 JH Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2Cc2ccccc2)CN1C[C@@H]1CC[C@@H](O)CC1 ZINC000253632845 JH Annotated Anodyne C=C1[C@@H](O)[C@@H]2C=CC[C@@H](C)C[C@@](C)(O)C=C[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000253634365 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)C=C[C@](C)(O)C[C@H](C)CC=C[C@H]3[C@H]1O ZINC000253634367 JH Annotated Mild C=C1[C@@H](O)[C@H]2C=CC[C@@H](C)C[C@@](C)(O)C=C[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000253634369 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](C=CC[C@@H](C)C[C@@](C)(O)C=C[C@H]3OC(C)=O)[C@H]1O ZINC000253634371 JH Annotated Mild CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCSCC2)[C@H]1c1ccccc1 ZINC000253635647 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCSCC2)[C@H]1c1ccccc1 ZINC000253635648 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]3[C@H](C)[C@H](O)O[C@@]3(O)C=C12 ZINC000253636187 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]3[C@H](C)[C@H](O)O[C@]3(O)C=C12 ZINC000253636189 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]3[C@H](C)[C@@H](O)O[C@@]3(O)C=C12 ZINC000253636191 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]3[C@H](C)[C@@H](O)O[C@]3(O)C=C12 ZINC000253636193 JH Annotated Anodyne Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2O)c(O)nc1=O ZINC000253636329 JH Annotated Anodyne CN1CCC[C@@H](OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000253637323 JH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N[C@@H]4CC[C@@H](O)CC4)nc3c2)n1 ZINC000253639502 JH Annotated Anodyne CO[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 ZINC000253645498 JH Annotated Reactive CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000253650607 JH Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)CO1 ZINC000253650681 JH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000253655808 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3C[C@@H](O)[C@@]12C ZINC000253655810 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000253655812 JH Annotated Mild CCN1CCN(c2cc3[nH]c(C(=O)[C@@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 ZINC000253666398 JH Annotated Anodyne C[C@@H]1COc2c(N3CCc4ccccc4[C@H]3C(=O)NC(C)(C)C)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000253666692 JH Annotated Anodyne CN1CCN(CC(=O)N[C@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000253667906 JH Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000253667915 JH Annotated Anodyne C[N+](C)(CCCCCCCCCC[N+](C)(C)[B@H-](Br)C#N)[B@@H-](Br)C#N ZINC000253669791 JH Annotated Bother C[N+](C)(CCCCCCCCCC[N+](C)(C)[B@@H-](Br)C#N)[B@@H-](Br)C#N ZINC000253669795 JH Annotated Bother C[N+](C)(CCCCCCCCCC[N+](C)(C)[B@H-](Br)C#N)[B@H-](Br)C#N ZINC000253669799 JH Annotated Bother C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)c2oncc2C[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000253671225 JH Annotated Anodyne COc1cc2c(cc1OC)-c1cc(=Nc3c(F)cccc3F)n(CP(C)(C)=O)c(=O)n1CC2 ZINC000253674426 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676147 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676154 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(C)[C@@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676538 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(C)[C@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676543 JH Annotated Anodyne CCn1c2ccccc2c2cc(C=NNC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)ccc21 ZINC000253676630 JH Annotated Reactive CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253676647 JH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253676653 JH Annotated Anodyne N=C(NN=Cc1cccc([N+](=O)[O-])c1)S[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000253681887 JH Annotated Mild N=C(NN=Cc1cccc([N+](=O)[O-])c1)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000253681893 JH Annotated Mild COc1ccc2ncc(F)c(CCN3C[C@H](O)[C@H](CNCc4ccc5ccccc5c4)C3)c2n1 ZINC000253683329 JH Annotated Anodyne CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(C5=CC[C@@H]6OCCO[C@H]6C5)ccc4c3=O)cn2)C1 ZINC000253684604 JH Annotated Anodyne CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(C5=CC[C@H]6OCCO[C@H]6C5)ccc4c3=O)cn2)C1 ZINC000253684609 JH Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(OCCN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000253685019 JH Annotated Anodyne CC(C)CN([C@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000253685677 JH Annotated Anodyne CC(C)CN([C@@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000253685678 JH Annotated Anodyne CN1CCN(C(=O)[C@H]2CC[C@@H](N(C(=O)c3cc(Cl)c(N)c(Cl)c3)C3CC3)CC2)CC1 ZINC000253731982 JH Annotated Anodyne CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000253761820 JH Annotated Mild CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000253761835 JH Annotated Mild CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCC(=O)CC2)[C@H]1c1ccccc1 ZINC000253778954 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCC(=O)CC2)[C@@H]1c1ccccc1 ZINC000253778962 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCC(=O)CC2)[C@H]1c1ccccc1 ZINC000253778970 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCC(=O)CC2)[C@H]1c1ccccc1 ZINC000253781061 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCC(=O)CC2)[C@H]1c1ccccc1 ZINC000253781068 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCOCC2)[C@H]1c1ccccc1 ZINC000253781212 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000253781224 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCOCC2)[C@H]1c1ccccc1 ZINC000253781234 JH Annotated Anodyne O=C(CNC(=O)c1cccnc1)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000253915708 JH Annotated Clean Cn1c(O)c(N=NC(S)=Nc2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000253915752 JH Annotated Mild C[C@@H]1CC[C@@H]2C(=O)O[C@H](CN3C(=O)c4ccccc4C3=O)CN2[C@H]1c1ccc(Br)cc1 ZINC000253918665 JH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CN3C(=O)c4ccccc4C3=O)CN2[C@H]1c1ccc(Br)cc1 ZINC000253918667 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920442 JH Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920449 JH Annotated Bother COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000253928451 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1N=Nc1sc(N)nc1-c1ccccc1 ZINC000253977348 JH Annotated Clean COC(=O)c1scc(S(=O)(=O)C(C)C)c1NN=C(C#N)C(=O)c1ccc(Cl)cc1 ZINC000253979451 JH Annotated Mild C[C@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000253981720 JH Annotated Bother C[C@@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000253981723 JH Annotated Bother Cc1ccccc1N=C(S)N=Nc1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000253986329 JH Annotated Mild CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(Br)cc2)C=C[C@H]1OC(=O)OCC ZINC000253994827 JH Annotated Mild CC(=NOCc1nc2ccccc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000254003054 JH Annotated Mild Cc1c(N=C(S)N=Nc2c(O)n(CC(=O)O)c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000254003328 JH Annotated Mild CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@H]1c1ccc(F)c(Cl)c1 ZINC000254005607 JH Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1CC=CCOc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000254015232 JH Annotated Anodyne CN(CCCCN=c1c2ccccc2nc2n1CCC2)CCCN=c1c2ccccc2nc2n1CCC2 ZINC000254016530 JH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@H]1c1cccc(Br)c1 ZINC000254017998 JH Annotated Bother C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@H]1c1cccc(Br)c1 ZINC000254018000 JH Annotated Bother COC(=O)C[C@@H]1c2ccccc2C2=C(C[C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)N1C(=O)OC ZINC000254042438 JH Annotated Anodyne NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254094423 JH Annotated Anodyne CCOC(=O)[C@H](C)N1[C@@H](C)[C@H](c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000254100947 JH Annotated Anodyne CCOC(=O)[C@H](C)N1[C@H](C)[C@@H](c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000254100952 JH Annotated Anodyne C[C@H](C(=O)N1C(=O)N(C(=O)[C@H](C)[C@H](O)c2ccccc2)[C@@H]2CCCC[C@H]21)[C@@H](O)c1ccccc1 ZINC000254111119 JH Annotated Anodyne CC1(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C=CC1=O ZINC000254128395 JH Annotated Mild C[C@H]([C@@H]1C[C@@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000254130889 JH Annotated Mild C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000254130892 JH Annotated Mild CN1C[C@H](S(=O)(=O)c2ccccc2)C[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000254133021 JH Annotated Anodyne CN1C[C@H](S(=O)(=O)c2ccccc2)C[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000254133023 JH Annotated Anodyne Oc1nc(=Cc2cc3c(cn2)[nH]c2ccccc23)c(O)nc1=Cc1cc2c(cn1)[nH]c1ccccc12 ZINC000254133884 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000254133933 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000254133939 JH Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000254133942 JH Annotated Anodyne O=C1c2ccccc2[C@@]2(O)N3C/C(=C\c4ccccc4)C(=O)[C@@]4(C3)[C@@H](c3ccccc3)[C@@H]3CCCN3[C@]124 ZINC000254134189 JH Annotated Mild O=C1c2ccccc2[C@]2(O)N3C/C(=C\c4ccccc4)C(=O)[C@@]4(C3)[C@@H](c3ccccc3)[C@@H]3CCCN3[C@@]142 ZINC000254134192 JH Annotated Mild Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(N[C@@H]4CC[C@@](C)(O)CC4)n3n1)CCCO2 ZINC000254134875 JH Annotated Anodyne COc1c(N2CCN(C)[C@H](c3ccccc3)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000254150362 JH Annotated Bother N#C[C@H]1CC[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000254153356 JH Annotated Mild COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000254156367 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000254156370 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@@H]([C@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000254170117 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@H]([C@@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000254170123 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@@H]([C@@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000254170128 JH Annotated Anodyne C[C@H]1[C@@H]2[C@@H](O)[C@]3([C@@H](C)C(=O)O)CC[C@]2(C)[C@@H]3C[C@H]1OS(=O)(=O)c1ccc2nc(S)sc2c1 ZINC000254194414 JH Annotated Mild C[C@H]1[C@@H]2[C@@H](O)[C@]3([C@H](C)C(=O)O)CC[C@]2(C)[C@@H]3C[C@H]1OS(=O)(=O)c1ccc2nc(S)sc2c1 ZINC000254194416 JH Annotated Mild C[C@H]1[C@@H]2[C@H](O)[C@]3([C@H](C)C(=O)O)CC[C@]2(C)[C@@H]3C[C@H]1OS(=O)(=O)c1ccc2nc(S)sc2c1 ZINC000254194418 JH Annotated Mild C[C@H]1[C@@H]2[C@H](O)[C@]3([C@@H](C)C(=O)O)CC[C@]2(C)[C@@H]3C[C@H]1OS(=O)(=O)c1ccc2nc(S)sc2c1 ZINC000254194420 JH Annotated Mild CC1(C)O[C@@H]2O[C@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000254224056 JH Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COC(=O)C(c1ccccc1)c1ccccc1 ZINC000254224057 JH Annotated Anodyne COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](OC)[C@H]1OC ZINC000254224425 JH Annotated Reactive COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@H]1OC ZINC000254224426 JH Annotated Reactive COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](OC)[C@@H]1OC ZINC000254224427 JH Annotated Reactive CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@@]2(C#N)[C@H](c2ccco2)N1 ZINC000254224502 JH Annotated Mild CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@]2(C#N)[C@@H](c2ccco2)N1 ZINC000254224503 JH Annotated Mild C[C@@H]1NO[C@@H](NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@H]1C ZINC000254239095 JH Annotated Clean Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1N=Cc1ccc(O)c(O)c1 ZINC000254295130 JH Annotated Mild aggregator COC(=O)c1cc(=O)n(CCc2ccc(OC)c(OC)c2)c(=Nc2ccc(F)c(Cl)c2)s1 ZINC000254302502 JH Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254352355 JH Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254352359 JH Annotated Mild CCc1cccc(NC(=S)NN=Cc2cn(CC)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000254405440 JH Annotated Mild aggregator COCCn1c(=NC(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254509089 JH Annotated Anodyne COCCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1=Nc1ccccc1 ZINC000254589846 JH Annotated Anodyne O=C(O)c1ccccc1-c1ccc(C=c2sc3nc4cc(Br)cnc4n3c2=O)o1 ZINC000254735612 JH Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254794265 JH Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254794268 JH Annotated Mild CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(NC(C)=O)ccc3n2C)cc1 ZINC000254828890 JH Annotated Anodyne C#CCn1c(=NC(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254849516 JH Annotated Mild aggregator CC(=NNC(=N)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1 ZINC000254857582 JH Annotated Mild aggregator O=[N+]([O-])c1cc2c(cc1C=NNc1nc(Nc3ccccc3)nc(N3CCCCC3)n1)OCO2 ZINC000254908127 JH Annotated Mild aggregator O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000025940469 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000025940474 JH Annotated Anodyne COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 ZINC000025967532 JH Annotated Reactive C=Cc1cc2c(nc1CCCCC(=O)N(C)[C@@H](CC(=O)OC)c1ccc(OC)nc1)NCCC2 ZINC000025999662 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](C)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255191946 JH Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H](O)[C@@H]3O ZINC000255192476 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255193411 JH Annotated Anodyne CCC/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3C(C)=C[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4C(C)=CC=C[C@H]3C(=O)N12 ZINC000255196307 JH Annotated Anodyne CCC/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3/C(C)=C/[C@H]4C=C[C@@H](O)[C@@H](O)[C@@H]4/C(C)=C/C=C\[C@@H]3C(=O)N12 ZINC000255196310 JH Annotated Anodyne CCC/C=C/C=C\C[C@@H]1C[C@H](O)[C@H]2[C@@H]3C(C)=C[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4C(C)=CC=C[C@H]3C(=O)N12 ZINC000255196313 JH Annotated Anodyne CC(=O)[C@](O)(C(C)C)[C@H]1O[C@H](O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C(CC[C@]3(C)[C@@H]21)[C@@]1(C)CCC(=O)C[C@@H]1CC4 ZINC000255196462 JH Annotated Anodyne CO[C@H]1CC(=O)C(C)(C)C2=C(O)C(=O)[C@@]3(C)[C@@H]([C@H](O)C[C@]4(C)[C@@H](c5ccoc5)C[C@@H]5O[C@]534)[C@@]21C ZINC000255196779 JH Annotated Mild C[C@H](OC(=O)/C=C/c1ccccc1)[C@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000255200733 JH Annotated Anodyne C[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000255200734 JH Annotated Anodyne CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@@]3(C)C4=CC[C@@H]5[C@@](C)(C4=CC[C@]23C)[C@@H](O)C[C@H](O)[C@@]5(C)CO)[C@@H]1O ZINC000255201015 JH Annotated Anodyne CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=CC[C@@H]5[C@@](C)(C4=CC[C@]23C)[C@@H](O)C[C@H](O)[C@@]5(C)CO)[C@@H]1O ZINC000255201016 JH Annotated Anodyne C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000255201205 JH Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5C=CO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 ZINC000255201307 JH Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1O[C@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5C=CO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@@]13[C@@]1(CO1)C2 ZINC000255201309 JH Annotated Anodyne C=C(CC[C@@]1(OC)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@H]2[C@@H]1C)COC ZINC000255201569 JH Annotated Mild CC1=C[C@@]2(O)[C@@H]3[C@H](C[C@]24C(=O)N(C)C(=O)[C@@H](c2ccccc2)[C@@H]4[C@@H]1C)[C@]1(O)O[C@@]3(C)C[C@H](C)C[C@@H]1C ZINC000255202916 JH Annotated Anodyne C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46C(=O)C[C@]2(C)[C@@H]13 ZINC000255204785 JH Annotated Mild C[C@@H]1C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(O)OC(=O)[C@@]5(CC[C@@H]4[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O)[C@@H](C)[C@@H]6O ZINC000255205423 JH Annotated Anodyne C/C=C(\C)C(=O)N[C@@H]1[C@@H](O)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O ZINC000255208565 JH 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]([C@H](C)N(C)C)CC[C@@H]4[C@H]3CC[C@H]2[C@H]1O ZINC000255208566 JH 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([C@H](C)N(C)C)=CC[C@H]4[C@@H]3CC[C@H]2[C@H]1O ZINC000255209017 JH Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CCC4=C5O[C@@H]6CO[C@]7(C)OC[C@@]5(CC[C@@H]43)[C@H]67)C2)O[C@H](C)[C@H]1O ZINC000255209103 JH Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CCC4=C5O[C@@H]6CO[C@]7(C)OC[C@@]5(CC[C@@H]43)[C@H]67)C2)O[C@H](C)[C@H]1O ZINC000255209104 JH Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CCC4=C5O[C@@H]6CO[C@@]7(C)OC[C@@]5(CC[C@@H]43)[C@H]67)C2)O[C@H](C)[C@H]1O ZINC000255209105 JH Annotated Anodyne CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)C(=CCC4=C5O[C@@H]6CO[C@]7(C)OC[C@@]5(CC[C@@H]43)[C@H]67)C2)O[C@H](C)[C@H]1O ZINC000255209106 JH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CCCC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@@H]2CO ZINC000255209313 JH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@H]3C[C@@H](C)[C@@]4([C@H]5OC(=O)[C@@H](C)[C@@H]5CC[C@](C)(O)[C@H]34)[C@@H]12 ZINC000255212035 JH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@H]2[C@H]3C[C@@H](C)[C@@]4([C@H]5OC(=O)[C@@H](C)[C@@H]5CC[C@](C)(O)[C@H]34)[C@@H]12 ZINC000255212036 JH Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]5[C@H]6CO[C@@]43O[C@@H]5CO6)C2)O[C@H](C)[C@@H]1O ZINC000255212075 JH Annotated Anodyne CC1=C[C@H]2[C@]3(C)C[C@@H](C4=C3[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]4(C)O)[C@@]23[C@@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@]3(C)O ZINC000255212798 JH Annotated Anodyne CC1=C[C@H]2[C@]3(C)C[C@@H](C4=C3[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]4(C)O)[C@@]23[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@@]3(C)O ZINC000255212800 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255213345 JH Annotated Mild CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H]6OC[C@@H]5O[C@@]43O6)C2)O[C@H](C)[C@H]1O ZINC000255214384 JH Annotated Anodyne C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255217975 JH Annotated Mild C[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000255218001 JH Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255218384 JH Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1C[C@@]4(C)O[C@H]4C[C@@H](OC(C)=O)[C@](C)(OC[C@@H]2C)[C@@H]3O1 ZINC000255218500 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255219010 JH Annotated Anodyne C[C@H](CO)/C(=C\CO)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255220034 JH Annotated Anodyne CC1=CC(=O)[C@H]2CC(=O)[C@H]3[C@@](C)(C(=O)[C@@]45OC(=O)C[C@]3(C)[C@]4(C)CC[C@]34C[C@@H](C)C[C@H](CN35)O4)[C@@H]2C1 ZINC000255220812 JH Annotated Mild CC(=O)[C@](O)(C(C)C)[C@H]1OC(=O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C(CC[C@]3(C)[C@@H]21)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC4 ZINC000255221046 JH Annotated Anodyne CC(=O)[C@](O)(C(C)C)[C@H]1OC(=O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C(CC[C@]3(C)[C@@H]21)[C@@]1(C)CC[C@H](O)C[C@@H]1CC4 ZINC000255221047 JH Annotated Anodyne CC(=O)[C@](O)(C(C)C)[C@H]1O[C@H](O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C(CC[C@]3(C)[C@@H]21)[C@@]1(C)CC[C@H](O)C[C@@H]1CC4 ZINC000255221667 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C\c3ccccc3)[C@]12C ZINC000255221703 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000255221704 JH Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000255222041 JH Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C(=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1NC[C@H](C)C[C@H]1O ZINC000255223078 JH Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4C(=O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1NC[C@H](C)C[C@@H]1O ZINC000255223081 JH Annotated Anodyne C[C@H]([C@H]1C[C@@](C)(O)[C@@](C)(O)[C@@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(C)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255223307 JH Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C ZINC000255224063 JH Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@H](C(C)=O)[C@@]12C ZINC000255224064 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C ZINC000255224065 JH Annotated Anodyne CO[C@H]1[C@@H](OC(C)=O)[C@@]2(C)C3=CC(=O)[C@@H](/C=C\C(C)=O)[C@]3(C)C(=O)C[C@@H]2[C@@]2(C)C(=O)C=CC(C)(C)[C@H]12 ZINC000255224067 JH Annotated Mild CCC(=O)[C@@H]1C[C@@H](C)[C@@]2(O1)[C@@H](O)C(=O)[C@@]1(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3 ZINC000255224527 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1 ZINC000255225577 JH Annotated Anodyne C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000255228036 JH Annotated Anodyne C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255228039 JH Annotated Anodyne C[C@H](CO)/C(=C\CO)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255231937 JH Annotated Mild C[C@H](O)[C@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000255235000 JH Annotated Anodyne C[C@H](O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000255235001 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2CC[C@@H](C)[C@]3(C)C[C@H](/C(C)=C/C=C/C(C)(C)O)CC[C@@H]23)OC[C@@H](O)[C@H]1O ZINC000255236825 JH Annotated Anodyne CC(=O)O[C@H]1[C@H](O[C@@H]2CC[C@@H](C)[C@]3(C)C[C@H](/C(C)=C/C=C/C(C)(C)O)CC[C@@H]23)OC[C@@H](O)[C@@H]1O ZINC000255236828 JH Annotated Anodyne CC(C)[C@H](C)[C@H](O)[C@H]1C[C@@]23CC(=O)[C@@]4(O)C(=C2CC[C@H]3[C@@H]1C)C=C[C@@]1(O)C[C@H](O)CC[C@]14C ZINC000255237886 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@@H]5[C@@H](C[C@H]6O[C@]67CC=CC(=O)[C@]57C)[C@H]3CC[C@H]24)C1 ZINC000255240035 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C\[C@H](OC(C)=O)[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000255242317 JH Annotated Mild CC(C)CC(=O)O[C@@H]1[C@@H](O)[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)[C@H](O)C[C@H]([C@H](C)O)[C@@]1(C)CC3 ZINC000255242483 JH Annotated Anodyne CC(=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 ZINC000255249247 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000255251249 JH Annotated Mild C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)C4=CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46CC(=O)[C@]2(C)[C@@H]13 ZINC000255257878 JH Annotated Mild CC(C)/C(=C\CO)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1[C@H](O)[C@H]3O ZINC000255258593 JH Annotated Anodyne C[C@]12CC[C@@H]3[C@H](C[C@H]4O[C@]45CCCC(=O)[C@]35C)[C@@H]1CC[C@@]2(O)[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O ZINC000255258767 JH Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](C[C@H]4O[C@]45CCCC(=O)[C@]35C)[C@@H]1CC[C@@]2(O)[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O ZINC000255258768 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H]3O[C@]34[C@@H]3CC=C5C=CCC(=O)[C@]5(C)[C@H]3CC[C@@]42C)C1 ZINC000255258839 JH Annotated Anodyne CO[C@H]1[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H](C4=CC(=O)O[C@H]4O)[C@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C(C)(C)[C@H]12 ZINC000255259399 JH Annotated Mild CC[C@@H](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(C)=O ZINC000255259621 JH Annotated Anodyne CC[C@@H](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(C)=O ZINC000255259622 JH Annotated Anodyne C/C=C/C=C/C(=O)[C@H]1[C@@H]([C@]2(C)OC(=O)C(C)=C2O)[C@@H]2/C(=C(O)\C=C\C=C\C)C(=O)[C@@]1(C)C(=O)[C@]2(C)O ZINC000255259639 JH Annotated Mild C/C=C/C=C/C(=O)[C@@H]1[C@H]([C@]2(C)OC(=O)C(C)=C2O)[C@H]2/C(=C(O)\C=C\C=C\C)C(=O)[C@]1(C)C(=O)[C@@]2(C)O ZINC000255259640 JH Annotated Mild C/C=C/C=C/C(=O)[C@H]1[C@H]([C@]2(C)OC(=O)C(C)=C2O)[C@H]2/C(=C(O)/C=C/C=C/C)C(=O)[C@]1(C)C(=O)[C@@]2(C)O ZINC000255259641 JH Annotated Mild CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]35C(=O)O[C@@H](C)[C@H]3CC[C@]45O)C2)O[C@H](C)[C@H]1O ZINC000255260753 JH Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@]1(O)[C@H](O)C[C@H]2[C@]3(O)[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255260974 JH Annotated Anodyne CC(C)[C@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261718 JH Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)C[C@H]3O[C@]34[C@H]3CC=C5CC=CC(=O)[C@]5(C)[C@@H]3CC[C@@]42C)C1 ZINC000255261726 JH Annotated Mild C[C@@H](c1ccc2c(c1)[C@H](O)C[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255261731 JH Annotated Mild CC(=O)[C@@H]1CC[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 ZINC000255261845 JH Annotated Anodyne C/C1=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)/C=C/[C@@](C)(O)C[C@@H](C)C1 ZINC000255263182 JH Annotated Anodyne C/C1=C/CC(=O)O[C@@]23C(=O)N[C@H](c4ccccc4)[C@H]2[C@H](C)[C@]2(C)O[C@@H]2[C@@H]3/C=C/[C@H](C)[C@H](C)C1=O ZINC000255264202 JH Annotated Mild CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@H](O)[C@@]1(C)O ZINC000255265190 JH Annotated Mild C[C@@H]([C@@H](O)[C@@H]1O[C@H]2CC3=C4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@]1(C)O)C(C)(C)O ZINC000255268932 JH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@H](C)O[C@@H](O[C@]2(C)CC[C@@]34[C@H](C)CC[C@@H](C(C)C)[C@@H]3[C@@H]24)[C@H](O)[C@H]1O ZINC000255269422 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C(/C)C(C)C)[C@]12C ZINC000255269579 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255269580 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000255269581 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000255269582 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(/C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255269583 JH Annotated Anodyne CC(=O)[C@H]1CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255269584 JH Annotated Anodyne CC(=O)[C@H]1CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(/C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255269585 JH Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(/C)C(C)C)[C@]12C ZINC000255269586 JH Annotated Anodyne C[C@@H]1C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@H](O)[C@]6(O)OC(=O)[C@@]5(CC[C@@H]4[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O)[C@H]6C ZINC000255269917 JH Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5CCO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 ZINC000255270208 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1O[C@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5CCO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@@]13[C@@]1(CO1)C2 ZINC000255271225 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5CCO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 ZINC000255271226 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@H]4C[C@H]5CCO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 ZINC000255271227 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC(=O)[C@@]32C)C1 ZINC000255271238 JH Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC(=O)[C@@]32C)C1 ZINC000255271239 JH Annotated Mild CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000255272212 JH Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255272213 JH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1C[C@@H]2O[C@@]23[C@@H]2C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]2CC[C@]13C ZINC000255272334 JH Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC=C3[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255272797 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)[C@H]5O[C@]54[C@H]3CC[C@@H]2C1 ZINC000255272853 JH Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H](C(C)=O)CC[C@]2(O)[C@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000255274560 JH Annotated Anodyne CO[C@@H]1O[C@@H]([C@@H](C)c2ccc3c(c2)CC[C@H]2[C@H]3[C@@H]3O[C@@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C[C@]2(C)O[C@]12C ZINC000255278106 JH 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(C)=O ZINC000255280176 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(CO)[C@H]4CC[C@]32C)C1 ZINC000255280230 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000255280756 JH Annotated Mild C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255281477 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C(=O)[C@@H](C)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000255284875 JH 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](O)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255285117 JH Annotated Anodyne COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C4[C@@](O)(C[C@]12C)[C@H]1CC(=O)C(C)(C)[C@H](C[C@@H]3O)[C@@]41C ZINC000255286807 JH Annotated Anodyne CC(C)[C@]1(O)[C@H]2O[C@H](O)[C@@H]([C@H]3CC(=O)C4=C5CC[C@H]6CC(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)[C@H]2O[C@@H]1C ZINC000255287569 JH Annotated Mild O=C1CC[C@H](C(=O)OCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)N1 ZINC000257364949 JH Annotated Anodyne CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C(O)CNC2=O)[C@@H]1C[C@H](C)O[C@@H]1CC[C@@H](N)[C@@H](C)O1 ZINC000257391719 JH Annotated Mild CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C(O)CNC2=O)[C@@H]1C[C@H](C)O[C@@H]1CC[C@H](N)[C@H](C)O1 ZINC000257391720 JH Annotated Mild CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C(O)CNC2=O)[C@@H]1C[C@H](C)O[C@@H]1CC[C@H](N)[C@@H](C)O1 ZINC000257391721 JH Annotated Mild CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(=O)C2=C(O)CNC2=O)[C@@H]1C[C@H](C)O[C@@H]1CC[C@@H](N)[C@H](C)O1 ZINC000257391722 JH Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000257403561 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@H](C)[C@@]21C)OC(=O)[C@H]3C ZINC000257403562 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](OC(=O)/C=C\SC)[C@@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000257403563 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](OC(=O)/C=C\SC)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000257403564 JH Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000257476672 JH Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257476673 JH Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000257476674 JH Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257476675 JH Annotated Anodyne C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C\[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@H]1O ZINC000257489619 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](/C=C/C[C@@H](C)C[C@@](C)(O)/C=C\[C@H]3OC(C)=O)[C@H]1O ZINC000257489620 JH Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000257489621 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000257489622 JH Annotated Mild CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]12C ZINC000257532570 JH Annotated Mild CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]12C ZINC000257532571 JH Annotated Mild CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000257532572 JH Annotated Mild CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]12C ZINC000257532573 JH Annotated Mild CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[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@]231 ZINC000257596846 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[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@@]231 ZINC000257596852 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[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@@]231 ZINC000257596857 JH Annotated Anodyne CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[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@]231 ZINC000257596863 JH Annotated Anodyne COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1C)CCCN2 ZINC000026003792 JH Annotated Anodyne Cc1ccc(N2CC(O)=C(C(=O)Nc3ccc(OCCCCCCCn4cnnn4)cc3)C2=O)cc1 ZINC000026005327 JH Annotated Anodyne COc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)N1CC[N+](=N)CC1 ZINC000026015978 JH Annotated Clean O=C1NC(=O)[C@@](CC#Cc2ccc(C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000026026277 JH Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000026026285 JH Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(OC(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000026026928 JH Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(OC(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000026026935 JH Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(Br)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026027796 JH Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(Br)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026027804 JH Annotated Mild Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(C(F)(F)F)cc3)SC(=O)NC2=O)cc1 ZINC000026028902 JH Annotated Mild Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccc(C(F)(F)F)cc3)SC(=O)NC2=O)cc1 ZINC000026028908 JH Annotated Mild O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)NNC(=O)c1ccccc1O ZINC000026099112 JH Annotated Reactive COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](O/C=C/C(=O)c4ccccc4)[C@@H](O)[C@H]3O)c(Cl)c2c1 ZINC000026151666 JH Annotated Mild O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000026160384 JH Annotated Reactive COc1ccc(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1OC ZINC000026165147 JH Annotated Clean COc1ccc(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1OC ZINC000026165151 JH Annotated Clean O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000026165179 JH Annotated Reactive CCn1c(SCc2nnc3n(CC)c(=O)c4ccc(Cl)cc4n23)nc2ccc(OC)cc2c1=O ZINC000026175119 JH Annotated Anodyne CCCCN(NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)OCC ZINC000026183279 JH Annotated Reactive CN(C)C(=N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1 ZINC000026188398 JH Annotated Anodyne COc1ccncc1/C(Br)=C/c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F ZINC000026189766 JH Annotated Anodyne CCC[C@@H](C(=O)NN(CC(C)C)C(=O)OCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O ZINC000026251511 JH Annotated Reactive Cc1ccc(CN(CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000026257405 JH Annotated Anodyne CC(C)Oc1c(Br)c(Br)n(-c2ccccc2)c1/C(O)=N/c1nn[nH]n1 ZINC000026269149 JH Annotated Mild CC(C)Oc1c(Br)c(Br)n(Cc2ccccc2)c1/C(O)=N/c1nn[nH]n1 ZINC000026278766 JH Annotated Mild CCOCCC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C ZINC000026287109 JH Annotated Bother CO/N=C(/CCCO[N+](=O)[O-])c1cc(-c2ccc(S(C)(=O)=O)cc2)n(C2CCCCC2)n1 ZINC000026291380 JH Annotated Mild NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)O1 ZINC000026376569 JH Annotated Mild NC(=O)N(O)CCC#C[C@H]1CC[C@H](CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)O1 ZINC000026376731 JH Annotated Mild CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CC/C(O)=N/S(=O)(=O)c3ccccc3)CC[C@H]2CN1C(=O)OC ZINC000026376804 JH Annotated Mild O=C(NC[C@@H]1CCCN1Cc1ccc(F)cc1)c1cc(I)cc2c1OCC2 ZINC000026381493 JH Annotated Anodyne NC(=O)N(O)CCC#Cc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)o1 ZINC000026381812 JH Annotated Mild CC(C)[C@H](NC(=O)c1cccc2c1Oc1c(C(=O)N[C@@H](C(=O)O)C(C)C)cccc1C2(C)C)C(=O)O ZINC000026388160 JH Annotated Anodyne CC(C)[C@H](NC(=O)c1cccc2c1Oc1c(C(=O)N[C@H](C(=O)O)C(C)C)cccc1C2(C)C)C(=O)O ZINC000026388164 JH Annotated Anodyne CC(C)[C@@H](NC(=O)c1cccc2c1Oc1c(C(=O)N[C@@H](C(=O)O)C(C)C)cccc1C2(C)C)C(=O)O ZINC000026388166 JH Annotated Anodyne COc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(OCCN(C)C)cc3)c2cc1OC ZINC000026393763 JH Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]3[C@@H](C)[C@@H](O)O[C@@]3(O)C=C12 ZINC000026402161 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]3[C@@H](C)[C@@H](O)O[C@@]3(O)C=C12 ZINC000026402164 JH Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@@H](C)[C@@H](O)O[C@@]3(O)C=C12 ZINC000026402168 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@@H](C)[C@@H](O)O[C@@]3(O)C=C12 ZINC000026402172 JH Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@@H](C)C(O)O)C(=O)C=C12 ZINC000026473571 JH Annotated Mild CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@@H](C)C(O)O)C(=O)C=C12 ZINC000026473579 JH Annotated Mild CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@H](C)C(O)O)C(=O)C=C12 ZINC000026473586 JH Annotated Mild CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@H](C)C(O)O)C(=O)C=C12 ZINC000026473596 JH Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3ccc(C#N)cc35)[nH]c2c(OC)c1OC ZINC000026477614 JH Annotated Mild O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000026494581 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000026494585 JH Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CN(C)C4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261070872 JH Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CN(C)C4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261070873 JH Annotated Anodyne Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C(=O)c2cn(C(C)C)c3ncncc23)cnc1O ZINC000261070927 JH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4c(c3)nnn4C)c2cn1)c1ccc(F)cc1 ZINC000261070999 JH Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3nc(N4CCC5(CC5)C4)ncc3F)C2)cc1 ZINC000261071457 JH Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261072845 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCN(CCCC(F)(F)F)CC1 ZINC000261077248 JH Annotated Anodyne CC[C@H](C)C[C@H](C)C[C@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 ZINC000261078528 JH Annotated Mild CC[C@H](C)C[C@@H](C)C[C@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 ZINC000261078530 JH Annotated Mild CC[C@H](C)C[C@@H](C)C[C@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 ZINC000261078532 JH Annotated Mild CC[C@H](C)C[C@H](C)C[C@](O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 ZINC000261078534 JH Annotated Mild CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cc3ccc(Cl)cn3)c2)c2cncnc21 ZINC000261079656 JH Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)nc(O)c2cnn(C4CCOCC4)c23)C[C@H]1c1ccccc1 ZINC000261081830 JH Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)nc(O)c2cnn(C4CCOCC4)c23)C[C@@H]1c1ccccc1 ZINC000261081832 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(=O)[C@@H](C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000261082507 JH Annotated Mild Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(OCC2CC2)CC1 ZINC000261082515 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OCC(C)(F)F)CC1 ZINC000261082605 JH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCC34CC5C[C@@H](C3)C(O)[C@@H](C5)C4)c2cn1)c1ccccc1 ZINC000261083073 JH Annotated Anodyne COc1ccc([C@@H]2N[C@H](NCc3ccccc3)S[C@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000261084264 JH Annotated Anodyne O=c1c(Cl)c(NCCN2CCOCC2)cnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261088288 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCOCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000261089326 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCOC(C)(C)C4)ncc3Cl)C2)cc1 ZINC000261092618 JH Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCC4)c3c2cc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000261094120 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000261095434 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000261097555 JH Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000261097557 JH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCC[C@H]4C3)cc2)n1 ZINC000261099376 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCOC(C)(C)C)ncc3F)C2)cc1 ZINC000261100005 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CCC#N)C4CCCC4)n3)C2)cc1 ZINC000261102712 JH Annotated Mild CCS(=O)(=O)c1ccc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)cn1 ZINC000261102870 JH Annotated Anodyne COCCCCN1C[C@H](C)N(C(=O)c2cc3c(cc2C)nc(O)c2cnn(CC4CC4)c23)C[C@H]1C ZINC000261104020 JH Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cccnc1O ZINC000261105779 JH Annotated Anodyne COCCCCN(C)[C@H]1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)C1 ZINC000261106392 JH Annotated Anodyne COCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(CC4CCC4)c23)C[C@@H]1C ZINC000261108188 JH Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCCCC(=O)O ZINC000261109247 JH Annotated Anodyne CO[C@@H]1CC[C@@H](Nc2cc(N3CCCC3)nc3cc(-c4nc5c(nc4C)OCCC5)nn23)CC1 ZINC000261110804 JH Annotated Anodyne [C-]#[N+][C@H]1C[C@@H](C(=O)N2CC(C)(C)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000261110848 JH Annotated Reactive [C-]#[N+][C@@H]1C[C@H](C(=O)N2CC(C)(C)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000261110850 JH Annotated Reactive CNS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CC(C)(C)CC3)cc1F ZINC000261112180 JH Annotated Anodyne COCCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261115723 JH Annotated Anodyne Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000261116442 JH Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC1(C(=O)O)CCC1 ZINC000261117216 JH Annotated Anodyne C[N@+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000261120790 JH Annotated Mild C[N@@+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000261120792 JH Annotated Mild Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CC(N(C)CCC(F)(F)F)C1 ZINC000261125661 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCC(F)(F)F)ncc3F)C2)cc1 ZINC000261126356 JH Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)CC1 ZINC000261126927 JH Annotated Anodyne Cc1cc(N2C(=O)c3nn(C(=O)N(C)C)c(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261128536 JH Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(Cl)c2)n1 ZINC000261128620 JH Annotated Anodyne CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@@H]3CC[C@@H](N)CC3)c2n1 ZINC000261129176 JH Annotated Anodyne Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(-n3c(O)nc4sccc4c3=O)c2)c1 ZINC000261129998 JH Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H](C(=O)O)c1ccccc1 ZINC000261131633 JH Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](C(=O)O)c1ccccc1 ZINC000261131634 JH Annotated Anodyne CCOC(=O)N1CC(n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)[C@H]3c2ccc(Cl)cc2)C1 ZINC000261137251 JH Annotated Anodyne CCOC(=O)N1CC(n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)[C@@H]3c2ccc(Cl)cc2)C1 ZINC000261137253 JH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(-n4ccnn4)cc3)c2cn1)c1ccc(F)cc1 ZINC000261137670 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(=O)[C@H](C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000261138229 JH Annotated Anodyne Cc1nn(C2CN(C)C2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261138319 JH Annotated Anodyne Cc1nn(C2CN(C)C2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261138323 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OC[C@@H](C)F)CC1 ZINC000261140987 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OC[C@H](C)F)CC1 ZINC000261140991 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OCC2CC2)CC1 ZINC000261141042 JH Annotated Anodyne CCOCCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 ZINC000261142130 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2[C@H]3CC4C[C@H]2CC(F)(C4)C3)cc1F ZINC000261143871 JH Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(OC[C@H](C)F)CC1 ZINC000261144967 JH Annotated Anodyne CCOCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261146753 JH Annotated Anodyne COCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCCC4)c23)C[C@@H]1C ZINC000261148411 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OCC(F)(F)F)CC1 ZINC000261148998 JH Annotated Anodyne CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)C[C@H]1CCc1ccccc1 ZINC000261149000 JH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2cn1)c1ccc(F)cc1 ZINC000261149378 JH Annotated Anodyne COCCNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000261150060 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000261155231 JH Annotated Anodyne CCOCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261155876 JH Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@H](c3cccnc3)CC2)C1 ZINC000261156409 JH Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000261157458 JH Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 ZINC000261157459 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2[C@H]3CC4C[C@H]2CC(Cl)(C4)C3)cc1F ZINC000261158034 JH Annotated Anodyne COC[C@H]1C[C@H]1c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261160478 JH Annotated Anodyne COC[C@@H]1C[C@@H]1c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261160484 JH Annotated Anodyne COC[C@H]1C[C@@H]1c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000261160488 JH Annotated Anodyne CC(=O)N1CC(n2nc(C)c3c2C(=O)N(c2cc(C)c4nnc(C)n4c2)[C@@H]3c2ccc(Cl)cc2)C1 ZINC000261161573 JH Annotated Anodyne CC(=O)N1CC(n2nc(C)c3c2C(=O)N(c2cc(C)c4nnc(C)n4c2)[C@H]3c2ccc(Cl)cc2)C1 ZINC000261161575 JH Annotated Anodyne CC(=O)Nc1cc(N2C(=O)c3c(c(C)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)nn2c(C)nnc12 ZINC000261162177 JH Annotated Anodyne CC(=O)Nc1cc(N2C(=O)c3c(c(C)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)nn2c(C)nnc12 ZINC000261162182 JH Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CCC(C)(C)C3)cc1F ZINC000261163888 JH Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCC4)c23)CC1 ZINC000261163903 JH Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OC2CCC2)CC1 ZINC000261164054 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)[C@@H]4CCCOC4)ncc3Cl)C2)cc1 ZINC000261164065 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)[C@H]4CCCOC4)ncc3Cl)C2)cc1 ZINC000261164066 JH Annotated Anodyne CC(C)[C@@H]1C[C@H](c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC[C@H]1[S@](C)=O ZINC000261164869 JH Annotated Mild CC(C)[C@@H]1C[C@H](c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC[C@@H]1[S@@](C)=O ZINC000261164874 JH Annotated Mild CC(C)[C@@H]1C[C@H](c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC[C@H]1[S@@](C)=O ZINC000261164878 JH Annotated Mild COCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(N)c3nnc(C)n3c1)C2=O ZINC000261166391 JH Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCCN(CC[C@](O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 ZINC000261169312 JH Annotated Anodyne CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)[C@H](c2ccccc2)C12COC2 ZINC000261171188 JH Annotated Anodyne CCN(CCC#N)c1ncc(Cl)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 ZINC000261171219 JH Annotated Mild C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3nc(N4CCC5(CC5)C4)ncc3F)C2)cc1 ZINC000261173540 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CCC(F)(F)F)n3)C2)cc1 ZINC000261173583 JH Annotated Anodyne CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCC5(CC5)C4)ncc3F)C2)cc1 ZINC000261173975 JH Annotated Anodyne COCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCC4)c23)C[C@@H]1C ZINC000261177988 JH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCCO4)ncc3Cl)C2)cc1 ZINC000261178033 JH Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(OCC(F)F)CC1 ZINC000261180500 JH Annotated Anodyne CCCOC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261180998 JH Annotated Anodyne Cc1cc(N(CCCl)CCCl)ccc1C=NNC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000261181027 JH Annotated Reactive O=C(c1ccc2c(c1)nc(O)c1cnn(C3CCOCC3)c12)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261181508 JH Annotated Anodyne O=C(c1ccc2c(c1)nc(O)c1cnn(C3CCOCC3)c12)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261181512 JH Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(CC4CC4)c23)C[C@@H]1C ZINC000261185396 JH Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCC4)c23)C[C@@H]1C ZINC000261185463 JH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCC(Cl)(Cl)CC2)cc1F ZINC000261185477 JH Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F ZINC000261191472 JH Annotated Anodyne Cc1oncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261192087 JH Annotated Anodyne Cc1oncc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261192089 JH Annotated Anodyne Cc1nn(C(=O)N(C)C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261192790 JH Annotated Anodyne Cc1nn(C(=O)N(C)C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261192791 JH Annotated Anodyne Cc1c(N=C2SCC(=O)N2/N=C\c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000263590449 JH Annotated Mild O=C(NN/C=C1\C(=O)N2C=CC=CC2=NC1=Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000263590627 JH Annotated Reactive CCCC(=O)O[C@H]1CCC(C)=CC=C([C@@H](C)C(=O)OC)C(=O)[C@H]2[C@H](C)[C@H](O)C[C@H](OC(C)=O)[C@]12C ZINC000263591239 JH Annotated Mild CCCC/N=C\[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H]3C=CC(=O)O3)CC[C@@]12O ZINC000263591801 JH Annotated Mild CCCC/N=C\[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H]3C=CC(=O)O3)CC[C@]12O ZINC000263591802 JH Annotated Mild COc1ccccc1N=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2n(O)n1-c1ccccc1OC ZINC000263591984 JH Annotated Bother Cc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1 ZINC000263592156 JH Annotated Bother Cc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1 ZINC000263592157 JH Annotated Bother O=C(O)c1cccc(N=Nc2c(S(=O)(=O)O)ccc3c2C(=O)c2ccccc2C3=O)c1O ZINC000263607706 JH Annotated Clean COc1ccc(C(=O)NCC(=O)NCC=N)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1 ZINC000263620294 JH Annotated Anodyne Cc1cn(-c2ccnc(Nc3cc(C)c(OCCN4CCCC4)c(C)c3)n2)cc1CN1CC(O)C1 ZINC000263620338 JH Annotated Anodyne COCCN1CCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000263620473 JH Annotated Anodyne Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC(C)C)c2)n(C)c(=O)n3C)cn1C ZINC000263620961 JH Annotated Anodyne COC(=O)c1c(CN2CCOCC2)nc(-c2nccs2)nc1-c1ccc(F)cc1Br ZINC000263620999 JH Annotated Anodyne Cc1nn(C)cc1-c1nc2ncc(Cl)c(-c3cnn(Cc4cccc(C(=O)N(C)C)c4)c3)c2[nH]1 ZINC000263621018 JH Annotated Anodyne CCN(C)S(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(N)n2)c1F ZINC000263621253 JH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CCCBr)C2=O)OCO4 ZINC000026502245 JH Annotated Reactive CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(CCC(C)(C)C)C2 ZINC000026502252 JH Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(CCC(C)(C)C)C2 ZINC000026502255 JH Annotated Anodyne O=C1C[C@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccc[n+]([O-])c1 ZINC000026503506 JH Annotated Bother O=C(Cc1ccc(O)c(CN2CCC(N3CCCCC3)CC2)c1)OC[C@@H]1COc2ccccc2O1 ZINC000026504063 JH Annotated Clean O=C(Cc1ccc(O)c(CN2CCC(N3CCCCC3)CC2)c1)OC[C@H]1COc2ccccc2O1 ZINC000026504068 JH Annotated Clean O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026575992 JH Annotated Anodyne COC(=O)[C@]12CCCN1C(=O)[C@](Cc1ccc3ccccc3c1)(NC(=O)OC(C)(C)C)CC2 ZINC000026576596 JH Annotated Anodyne O=C1/C(=N/CCC2C[C@H](Br)C(O)[C@@H](Br)C2)C(Cl)=C(O)c2cccnc21 ZINC000026576606 JH Annotated Reactive O=C1/C(=N/CCC2C[C@H](Br)C(O)[C@H](Br)C2)C(Cl)=C(O)c2cccnc21 ZINC000026576607 JH Annotated Reactive O=C1/C(=N/CCC2C[C@@H](Br)C(O)[C@H](Br)C2)C(Cl)=C(O)c2cccnc21 ZINC000026576608 JH Annotated Reactive COc1ccc2c(c1)c1nn(CCOS(C)(=O)=O)c3cc4c(c(c13)n2C)C=CC(C)(C)O4 ZINC000026578903 JH Annotated Mild CCOc1cc2c3cc(OC)c(OC)cc3c[n+](C)c2c2cc(OC)c(OS(C)(=O)=O)cc12 ZINC000026580203 JH Annotated Bother NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc3c(cc12)OCO3 ZINC000026580303 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(C)cc(=O)oc23)OC1(C)C ZINC000026639846 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(C)cc(=O)oc23)OC1(C)C ZINC000026639852 JH Annotated Anodyne CCN(CC)CC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000026641136 JH Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1C1=C[C@]2(CCCN[C@H]2c2ccccc2)OC1 ZINC000026651202 JH Annotated Anodyne CCc1cc(C)nn([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c1=O ZINC000026666653 JH Annotated Mild CCc1cc(C)nn([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c1=O ZINC000026666658 JH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@@H](O)[C@@H]([C@@H](OC(C)=O)[C@@H]2C1)C3(C)C ZINC000026666692 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](O)[C@@H]([C@@H](OC(C)=O)[C@@H]2C1)C3(C)C ZINC000026666697 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](c2ccc3c(c2)OCO3)n2nc3c(cc2=O)CCC3)cc1 ZINC000026668517 JH Annotated Mild CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@H](c2ccc3c(c2)OCO3)n2nc3c(cc2=O)CCC3)cc1 ZINC000026668521 JH Annotated Mild CCCc1ccc(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026668645 JH Annotated Mild CCCc1ccc(=O)n([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026668650 JH Annotated Mild Cc1cc(C)c(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026671708 JH Annotated Mild Cc1cc(C)c(=O)n([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026671712 JH Annotated Mild Cc1cc(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)nc1C ZINC000026673048 JH Annotated Mild Cc1cc(=O)n([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)nc1C ZINC000026673051 JH Annotated Mild Cc1ccc(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026673419 JH Annotated Mild Cc1ccc(=O)n([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026673422 JH Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc5ccncc5c4)cs3)[C@H](C)[C@H]12 ZINC000026673611 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](c2ccc3c(c2)OCO3)n2nc(C3CC3)ccc2=O)cc1 ZINC000026674365 JH Annotated Mild CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@H](c2ccc3c(c2)OCO3)n2nc(C3CC3)ccc2=O)cc1 ZINC000026674368 JH Annotated Mild NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2)c1N ZINC000026721559 JH Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3cc(Cl)cc(Cl)c3)c(Cl)c2)c1N ZINC000026735325 JH Annotated Anodyne CC(C)(C)O/C(O)=N/C(=N\CCCc1cnc[nH]1)NCc1ccc(I)cc1 ZINC000026736898 JH Annotated Mild O=C(O)[C@@H]1CN(CCCP(=O)(O)O)CCN1CCCCC(c1ccccc1)c1ccccc1 ZINC000026737127 JH Annotated Anodyne O=C(O)[C@H]1CN(CCCP(=O)(O)O)CCN1CCCCC(c1ccccc1)c1ccccc1 ZINC000026737132 JH Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(I)c24)cc1 ZINC000026746679 JH Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@@H]3C2=C[C@@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 ZINC000026749178 JH Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@H]3C2=C[C@@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 ZINC000026749183 JH Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@@H]3C2=C[C@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 ZINC000026749188 JH Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@H]3C2=C[C@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 ZINC000026749193 JH Annotated Reactive CN(CCOCCNC(=S)NC(=O)c1ccc2c(c1)-c1ccccc1C2=O)Cc1ccccc1 ZINC000026749326 JH Annotated Anodyne COc1cccc2c1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCO)C1(C)C ZINC000026750433 JH Annotated Mild O=C(NO)[C@@H](CCn1nnc2ccccc2c1=O)COCCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026750686 JH Annotated Bother O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COCCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026750694 JH Annotated Bother COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(Cl)c35)[nH]c2c(OC)c1OC ZINC000026752347 JH Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(C)=O)c35)[nH]c2c(OC)c1OC ZINC000026816813 JH Annotated Mild COc1cccc2c1[C@H](O)[C@]1(O)C[C@H](O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCO)C1(C)C ZINC000026817565 JH Annotated Anodyne COc1cccc2c1[C@H](O)[C@]1(O)C[C@@H](O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCO)C1(C)C ZINC000026817570 JH Annotated Anodyne CCOP(=O)(OCC)[C@H](c1cc(OC)c(O)c(OC)c1)N1CCN(c2ccccn2)CC1 ZINC000026822150 JH Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1cc(OC)c(O)c(OC)c1)N1CCN(c2ccccn2)CC1 ZINC000026822155 JH Annotated Anodyne Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000026822959 JH Annotated Bother COc1cc(NS(=O)(=O)OC)ccc1Nc1c2ccccc2nc2c(CCC(N)=O)cccc12 ZINC000026842687 JH Annotated Clean O=CNCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026843287 JH Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC[C@@H](C)O)cccc12 ZINC000026844021 JH Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC[C@H](C)O)cccc12 ZINC000026844028 JH Annotated Clean COC(=O)[C@@H]1Cc2ccc(OC)c(c2)Oc2ccc(cc2)C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N1C ZINC000026844335 JH Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(S(C)(=O)=O)ccc12 ZINC000026845092 JH Annotated Clean C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000026849364 JH Annotated Clean CCOC(=O)C(C)(C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 ZINC000026849623 JH Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N3C(=O)CNC3=O)ccc12 ZINC000026850039 JH Annotated Clean CC1=C(CO[P@@](N)(=O)N(CCBr)CCBr)C(=O)c2ccccc2C1=O ZINC000026850532 JH Annotated Reactive CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)N2 ZINC000026851810 JH Annotated Anodyne N[P@@](=O)(OCC1=C(Br)C(=O)c2ccccc2C1=O)N(CCCl)CCCl ZINC000026851999 JH Annotated Reactive N[P@](=O)(OCC1=C(Br)C(=O)c2ccccc2C1=O)N(CCCl)CCCl ZINC000026852006 JH Annotated Reactive CN1Cc2cc(C(=O)N(Cc3nc4ccccc4[nH]3)C3CCCCC3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000026935788 JH Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC2=C([C@@H]1c1ccc(F)c(Br)c1)S(=O)(=O)CC2 ZINC000026937691 JH Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC2=C([C@H]1c1ccc(F)c(Br)c1)S(=O)(=O)CC2 ZINC000026937696 JH Annotated Anodyne C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccc(N)cc21 ZINC000026940426 JH Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OCCO)cccc12 ZINC000026941043 JH Annotated Clean CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCC(C)(C)C)C(=O)[C@H](CC(=O)O)N2 ZINC000026941978 JH Annotated Anodyne O=[N+]([O-])c1ccc(COC2=NS(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000026944955 JH Annotated Bother CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CCSCC)cc2)cc1 ZINC000026944970 JH Annotated Anodyne CC(C)(C)CCN1Cc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000026945736 JH Annotated Anodyne CCOC(=O)c1cnc2c(c1)C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O ZINC000026976322 JH Annotated Clean COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000027068586 JH Annotated Anodyne COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000027068591 JH Annotated Anodyne CC(=O)/C=C1/C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@@H]12 ZINC000027086908 JH Annotated Mild NC(=O)c1ccc(N/C(=N\C(=O)c2ccc(F)cc2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000027096151 JH Annotated Mild CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2S[C@H](c2ccc(F)cc2)C4)CC1 ZINC000027098844 JH Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2S[C@@H](c2ccc(F)cc2)C4)CC1 ZINC000027098850 JH Annotated Anodyne CC(=O)O[C@H]1C(/C=C/[C@@](C)(O)CCCCCCCCN2C(=O)c3ccccc3C2=O)=CC(=O)[C@@H]2O[C@H]12 ZINC000027099585 JH Annotated Mild CC(=O)O[C@H]1C(/C=C/[C@](C)(O)CCCCCCCCN2C(=O)c3ccccc3C2=O)=CC(=O)[C@@H]2O[C@H]12 ZINC000027099591 JH Annotated Mild O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)c2[nH]c(C(F)(F)F)nc21 ZINC000027104645 JH Annotated Mild CCN(CC)CC(=O)N(C)c1nc2c(ccc3sc(N(C)C(=O)CN(CC)CC)nc32)s1 ZINC000027180120 JH Annotated Anodyne CCN(CC)CC(=O)N(C)c1nc2cc3nc(N(C)C(=O)CN(CC)CC)sc3cc2s1 ZINC000027181440 JH Annotated Anodyne O=C(O)CNC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187004 JH Annotated Anodyne O=C(O)CNC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187007 JH Annotated Anodyne O=C(O)CNC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187010 JH Annotated Anodyne O=C(O)CNC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187016 JH Annotated Anodyne O=C1c2cc3c(cc2[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1C(=O)N2CCCBr)OCO3 ZINC000027187063 JH Annotated Reactive CCC1(CC)C(=O)N(C(=O)NCCC[C@@H](O)c2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027206983 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCC[C@@H](O)c2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027206988 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCC[C@H](O)c2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027206993 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCC[C@H](O)c2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027206998 JH Annotated Anodyne CCCc1c(OC[C@@H](O)COc2ccc(/C=C3\NC(=O)NC3=O)cc2)ccc(Cl)c1Cl ZINC000027210406 JH Annotated Anodyne CCCc1c(OC[C@H](O)COc2ccc(/C=C3\NC(=O)NC3=O)cc2)ccc(Cl)c1Cl ZINC000027210410 JH Annotated Anodyne N#Cc1cc2c(cc1N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)n(O)c1ccc(Cl)cc1[n+]2=O ZINC000027213924 JH Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c1cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C#N)cc1n2O ZINC000027301932 JH Annotated Anodyne C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2F)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000027308087 JH Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2ccc(Br)cc2)CC(=O)O1 ZINC000027314640 JH Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2ccc(Br)cc2)CC(=O)O1 ZINC000027314646 JH Annotated Anodyne 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](O)[C@@H]2O)C1(C)C ZINC000027315405 JH Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4oncc4C(F)(F)F)CC3)c(F)c2)C(=O)O1 ZINC000027407647 JH Annotated Anodyne CC(=O)c1ccc(/C=C/C(=O)NC[C@H]2CN(c3ccc(C4CCS(=O)CC4)c(F)c3)C(=O)O2)cc1 ZINC000027411989 JH Annotated Anodyne N=C(/C=C/c1ccc(-c2cn3cc(/C=C/C(=N)N4CCOCC4)ccc3n2)cc1)N1CCOCC1 ZINC000027434439 JH Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCC[C@@H](S)CCS)O2 ZINC000027436813 JH Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCC[C@@H](S)CCS)O2 ZINC000027436818 JH Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCC[C@H](S)CCS)O2 ZINC000027436824 JH Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCC[C@H](S)CCS)O2 ZINC000027436828 JH Annotated Mild C=C1[C@@H](O)[C@@H]2C=CC[C@@H](C)CCC[C@@H](O)CCC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000271778410 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@H](C)CC=C[C@@H]3[C@H]1O ZINC000271778416 JH Annotated Mild C=C1[C@H](O)[C@@H]2C=CC[C@@H](C)CCC[C@@H](O)CCC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000271778420 JH Annotated Mild C=C1[C@@H](O)[C@H]2C=CC[C@@H](C)CCC[C@@H](O)CCC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000271778425 JH Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2cncn2C)cc1-c1ccccc1C)C(=O)O ZINC000027518465 JH Annotated Anodyne CCn1c2ccccc2c2cc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)ccc21 ZINC000027519284 JH Annotated Reactive C/C(=C\c1ncc(Sc2ccccc2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027522968 JH Annotated Anodyne COc1cccc2c(Nc3cc(N)cc(CO)c3)c3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027524465 JH Annotated Clean C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2C(F)(F)F)CCN1 ZINC000027524539 JH Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2C(F)(F)F)CCN1 ZINC000027524540 JH Annotated Anodyne C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2Cl)CCN1 ZINC000027524541 JH Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2Cl)CCN1 ZINC000027524542 JH Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](c3ccc(F)cc3F)S2)CC1 ZINC000027525014 JH Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](c3ccc(F)cc3F)S2)CC1 ZINC000027525015 JH Annotated Anodyne CCOC(=O)CCCNC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC)c(C(=O)OC)cc3C=C[C@H]12 ZINC000027526457 JH Annotated Anodyne CCOC(=O)CCCNC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC)c(C(=O)OC)cc3C=C[C@@H]12 ZINC000027526459 JH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC(N(C)C)CC4)nc3c2)n1 ZINC000027526519 JH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCCC[C@@H]4CO)nc3c2)n1 ZINC000027526996 JH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCCC[C@H]4CO)nc3c2)n1 ZINC000027526998 JH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC[C@@H](N(C)C)C4)nc3c2)n1 ZINC000027548818 JH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC[C@H](N(C)C)C4)nc3c2)n1 ZINC000027548822 JH Annotated Anodyne Fc1ccc([C@@H](Cn2ccnc2)O/N=C/c2ccc(OCCN3CCOCC3)cc2)c(F)c1 ZINC000027550899 JH Annotated Mild Fc1ccc([C@H](Cn2ccnc2)O/N=C/c2ccc(OCCN3CCOCC3)cc2)c(F)c1 ZINC000027550903 JH Annotated Mild O=C(CCS(=O)(=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000027559277 JH Annotated Reactive CC(C)(C)C(=O)OCO[P@@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OCOC(=O)C(C)(C)C ZINC000027559484 JH Annotated Anodyne NC1CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027561497 JH Annotated Anodyne CC1(C)CN=C(N/N=C/c2c3ccccc3c(/C=N/NC3=NCC(C)(C)CN3)c3ccccc23)NC1 ZINC000027564597 JH Annotated Mild COc1cc2nc(N(C)CCCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC ZINC000027628134 JH Annotated Anodyne C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc(-c4ccc([C@@]5(O)C[N+](C)(C)CCO5)cc4)cc3)cc2)C1 ZINC000027628239 JH Annotated Bother C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc(-c4ccc([C@]5(O)C[N+](C)(C)CCO5)cc4)cc3)cc2)C1 ZINC000027628245 JH Annotated Bother C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc(-c4ccc([C@]5(O)C[N+](C)(C)CCO5)cc4)cc3)cc2)C1 ZINC000027628253 JH Annotated Bother Cc1cc(-c2csc(/N=C(/N)NCc3ccccc3)n2)cn1S(=O)(=O)c1ccccc1 ZINC000027628604 JH Annotated Mild Cc1ccc(-c2csc(/N=C(\N)NCc3ccccc3)n2)n1S(=O)(=O)c1ccccc1 ZINC000027632860 JH Annotated Mild Cc1c(-c2csc(/N=C(/N)NCc3ccccc3)n2)ccn1S(=O)(=O)c1ccccc1 ZINC000027634526 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)cc1N1CCNCC1 ZINC000027640007 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C(=O)c3cc(CN(C)C)c(O)c(CN(C)C)c3)c(Cl)c(Cl)c2O1 ZINC000027654339 JH Annotated Clean CCOC(=O)[C@H]1Cc2cc(C(=O)c3cc(CN(C)C)c(O)c(CN(C)C)c3)c(Cl)c(Cl)c2O1 ZINC000027654343 JH Annotated Clean COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)c4ccc(F)c([N+](=O)[O-])c4)C=C[C@@]31CCN(C)C2 ZINC000027656675 JH Annotated Bother O=C(CNC(=O)C(F)(F)[C@@H](O)c1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000027656843 JH Annotated Anodyne O=C(CNC(=O)C(F)(F)[C@H](O)c1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000027656845 JH Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)C(F)(F)F)c1cc(=O)c(SC)ccc12 ZINC000027710993 JH Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)C(F)(F)F)c1cc(=O)c(SC)ccc12 ZINC000027710998 JH Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)C(F)(F)F)c1cc(=O)c(SC)ccc12 ZINC000027711003 JH Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)C(F)(F)F)c1cc(=O)c(SC)ccc12 ZINC000027711008 JH Annotated Anodyne CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)c4nc(C)oc4c(C)c3oc-2c(C)c(=O)c1N ZINC000027713578 JH Annotated Bother COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)c1ccccc1)c1cc(=O)c(OC)ccc12 ZINC000027714598 JH Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)c1ccccc1)c1cc(=O)c(OC)ccc12 ZINC000027714604 JH Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)c1ccccc1)c1cc(=O)c(OC)ccc12 ZINC000027714610 JH Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)c1ccccc1)c1cc(=O)c(OC)ccc12 ZINC000027714617 JH Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(C)=O)c1cc(O)/c(=N/Cc3ccccc3)ccc12 ZINC000027716117 JH Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(C)=O)c1cc(O)/c(=N/Cc3ccccc3)ccc12 ZINC000027716125 JH Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(C)=O)c1cc(O)/c(=N/Cc3ccccc3)ccc12 ZINC000027716131 JH Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(C)=O)c1cc(O)/c(=N/Cc3ccccc3)ccc12 ZINC000027716135 JH Annotated Anodyne O=C1C=C(c2c(-c3cc4ccccc4s3)n(CCCNC3=NCCN3)c3ccccc23)C(=O)N1 ZINC000027845179 JH Annotated Anodyne Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 ZINC000027850209 JH Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000027859685 JH Annotated Bother CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(NC(=O)CCC(=O)O)cc1 ZINC000027863959 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(NC(=O)CCC(=O)O)cc1 ZINC000027863964 JH Annotated Anodyne COc1cccc2c1ccc1nc3cc(Br)cc(C(=O)NCCN(C)C)c3nc12 ZINC000027867775 JH Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)CCC(=O)O)cc1 ZINC000027872122 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)CCC(=O)O)cc1 ZINC000027872129 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc1NC(=O)CCC(=O)O ZINC000027874021 JH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1NC(=O)CCC(=O)O ZINC000027874029 JH Annotated Anodyne CC(=O)O[C@@H]1[C@@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027874240 JH Annotated Reactive CC(=O)O[C@H]1[C@@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027874254 JH Annotated Reactive CC(=O)O[C@@H]1[C@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027874262 JH Annotated Reactive CC(=O)O[C@H]1[C@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027874270 JH Annotated Reactive CCOP(=O)(OCC)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027876666 JH Annotated Anodyne N[C@@H]1CCCC[C@H]1NC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=N[C@H]1CCCC[C@@H]1N2 ZINC000027878329 JH Annotated Bother CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C=CC(=O)C(CC)(CC)C2=O)CC1 ZINC000027898974 JH Annotated Mild CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCCN3CCOCC3)c(Cl)c1Cl)C2 ZINC000027899091 JH Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCCN3CCOCC3)c(Cl)c1Cl)C2 ZINC000027899095 JH Annotated Mild CC[C@@]12CCC[C@H]3[C@H](C(=O)OCCN4CCN(C)CC4)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 ZINC000027900214 JH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2c(=O)n(CC)c3ccccc32)CC1 ZINC000027901025 JH Annotated Anodyne CCc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000027977359 JH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)CSc3ccccc32)CC1 ZINC000027978699 JH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCSc2nnc(SC)s2)CC1 ZINC000027983038 JH Annotated Anodyne CC[C@@]12CCC[C@H]3[C@H](C(=O)NNCCN4CCCC4)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 ZINC000027983111 JH Annotated Reactive CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)CCN2c2ccccc2)CC1 ZINC000027985615 JH Annotated Anodyne CCCC/N=C(\N)c1ccc(C(=O)N[C@H](CC)C(C)(C)C(=O)N2CCC(CC(=O)O)CC2)c(F)c1 ZINC000027986002 JH Annotated Mild CCC(=O)N(c1ccccc1)C1(COC)CCN(CCSc2nnc(C(F)(F)F)n2C)CC1 ZINC000027986781 JH Annotated Anodyne CN1CCC[C@@H](OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027987786 JH Annotated Anodyne CN1CCC[C@H](OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027987791 JH Annotated Anodyne Cc1cc(C(=O)N[C@@H]2c3cc(-n4c(=O)c5c(C)onc5c5c(Cl)cccc54)ccc3C[C@H]2O)no1 ZINC000027988433 JH Annotated Anodyne CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc[n+]([O-])cc1 ZINC000027993181 JH Annotated Anodyne CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc[n+]([O-])cc1 ZINC000027993187 JH Annotated Anodyne CC[C@@H](NC(=O)c1ccc(C(=N)N(CC)CC)cc1F)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000027996213 JH Annotated Anodyne CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc[n+]([O-])c1 ZINC000027999906 JH Annotated Anodyne CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc[n+]([O-])c1 ZINC000027999910 JH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028004920 JH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028004924 JH Annotated Anodyne N[C@@H](CS)CN1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028005139 JH Annotated Mild N[C@@H](CS)CN1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028005143 JH Annotated Mild COc1cc(C)c(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2-n2cccc2)cc1OC ZINC000028005993 JH Annotated Anodyne CCCCNC(=O)Nc1ccccc1-c1nnc(O)n2c(Br)c(Br)nc12 ZINC000028006594 JH Annotated Anodyne CCCCNC(=O)Nc1ccc(-c2nnc(O)n3c(Br)c(Br)nc23)cc1 ZINC000028013744 JH Annotated Anodyne C[C@]1(C(=O)NCCc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)C3=N)cc2)CC=CCC1 ZINC000028014752 JH Annotated Anodyne C[C@@]1(C(=O)NCCc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)C3=N)cc2)CC=CCC1 ZINC000028014759 JH Annotated Anodyne CO[C@@H](C)C(=O)OCC1(N(C(=O)[C@@H](C)OC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028016782 JH Annotated Anodyne CO[C@H](C)C(=O)OCC1(N(C(=O)[C@@H](C)OC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028016783 JH Annotated Anodyne CO[C@@H](C)C(=O)OCC1(N(C(=O)[C@H](C)OC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028016784 JH Annotated Anodyne CO[C@@H](C)C(=O)N(c1ccccc1)C1(COC(=O)[C@@H](C)OC)CCN(CCc2cccs2)CC1 ZINC000028016785 JH Annotated Anodyne CC1=CC[C@@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)C3=N)cc2)CC1 ZINC000028017376 JH Annotated Anodyne CC1=CC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)C3=N)cc2)CC1 ZINC000028017382 JH Annotated Anodyne Cc1noc(NS(=O)(=O)c2sccc2/C=C/c2cc3c(cc2CO)OCO3)c1Br ZINC000028019861 JH Annotated Anodyne N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=S)NC2CCCCC2)cc1 ZINC000028020889 JH Annotated Anodyne CCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028022336 JH Annotated Anodyne CCCCNC(=O)Nc1cccc(-c2nnc(O)n3c(Br)c(Br)nc23)c1 ZINC000028086826 JH Annotated Anodyne CCN(CC)c1cc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)ccc1OC ZINC000028087068 JH Annotated Mild COc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)[C@H](CN(C)C)CCC3)c1 ZINC000028095848 JH Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)[C@@H](CN(C)C)CCC3)c1 ZINC000028095853 JH Annotated Anodyne O=c1[nH]nc(O)c2cc3c(Br)cc4c(c3c(-c3ccc5c(c3)OCO5)c12)OCO4 ZINC000028111965 JH Annotated Bother O=C(O)c1cc2c(I)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 ZINC000028114512 JH Annotated Anodyne CCOC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000028114553 JH Annotated Bother O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(OCCN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000028126622 JH Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(OCCN3CCOCC3)ccc1C2)c1ccc(Cl)s1 ZINC000028126628 JH Annotated Anodyne O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000028129548 JH Annotated Reactive COC(=O)[C@H]1CCCC[C@@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028136142 JH Annotated Reactive COC(=O)[C@H]1CCCC[C@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028136149 JH Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000028227775 JH Annotated Reactive COc1cccc(/C=N/NC(=O)Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c1 ZINC000028228960 JH Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=S)Nc1ccccc1 ZINC000028229472 JH Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc2c(c1)OCCO2 ZINC000028230162 JH Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=O)Nc1ccccc1 ZINC000028230537 JH Annotated Reactive O=C(O)CC[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028331020 JH Annotated Anodyne O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000028331477 JH Annotated Reactive O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccccc2)CC1 ZINC000028332464 JH Annotated Reactive COC(=O)[C@@H]1CCCN1Nc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028337471 JH Annotated Anodyne COC(=O)[C@H]1CCCN1Nc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028337478 JH Annotated Anodyne O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2ccccc2)CC1 ZINC000028339440 JH Annotated Reactive Cn1cncc1CN1C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028339727 JH Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028339734 JH Annotated Mild COCCN1CCOCCOCCOCCOc2cc(-c3cc4ccc(C(=O)OC)cc4[nH]3)ccc21 ZINC000028339880 JH Annotated Anodyne NCCC[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028342811 JH Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028343251 JH Annotated Bother O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028343256 JH Annotated Bother COC(=O)[C@H]1CCCC[C@@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028343737 JH Annotated Reactive COC(=O)[C@H]1CCCC[C@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028343743 JH Annotated Reactive O=C(CN(/N=C/c1ccc(Cl)cc1)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000028345339 JH Annotated Reactive Cc1sc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1F ZINC000028345592 JH Annotated Reactive O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC1(C2)OCCCO1 ZINC000028348507 JH Annotated Anodyne O=C(CN1CCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028348875 JH Annotated Anodyne O=C(CN1CCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028348881 JH Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cccnc2)Cc2cc(C#N)ccc21 ZINC000028349532 JH Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cccnc2)Cc2cc(C#N)ccc21 ZINC000028349539 JH Annotated Mild COC(=O)[C@@H]1CCCC[C@@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028351374 JH Annotated Reactive COC(=O)[C@@H]1CCCC[C@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 ZINC000028351380 JH Annotated Reactive COc1ccc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@]4(C)CCC(=O)C(C)(C)[C@@]4(O)CC[C@@]2(C)O3)cc1 ZINC000028353154 JH Annotated Anodyne C#CCOC(=O)N(CC(=O)O)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000028363538 JH Annotated Mild O=C(O)C[C@@H](CCC1CCN(C(=O)Cc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028365716 JH Annotated Anodyne O=C(O)C[C@H](CCC1CCN(C(=O)Cc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028365723 JH Annotated Anodyne ClC1=C[C@@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)[C@@H]2C=C1 ZINC000028366160 JH Annotated Mild ClC1=C[C@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)[C@@H]2C=C1 ZINC000028366168 JH Annotated Mild ClC1=C[C@@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)[C@H]2C=C1 ZINC000028366175 JH Annotated Mild ClC1=C[C@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)[C@H]2C=C1 ZINC000028366183 JH Annotated Mild CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 ZINC000028366303 JH Annotated Anodyne Nc1nc(N)c2c(Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c3ccc(Cl)cc3nc2n1 ZINC000028366737 JH Annotated Bother CC(=O)Nc1ccc(Sc2ccc(N3C[C@H](CNC(=S)NC4CC4)OC3=O)cc2F)cc1 ZINC000028367647 JH Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc[nH]2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028368142 JH Annotated Reactive CON(C=S)C[C@H]1CN(c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c(F)c2)C(=O)O1 ZINC000028368276 JH Annotated Anodyne CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(/C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028368647 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(C)oc23)OC1(C)C ZINC000028371580 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(C)oc23)OC1(C)C ZINC000028371587 JH Annotated Anodyne CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(=S)NC4CC4)OC3=O)cc2F)cc1 ZINC000028373001 JH Annotated Anodyne O=C(O)C[C@H](c1ccc2c(c1)OCO2)C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1 ZINC000028377401 JH Annotated Anodyne O=C(O)C[C@@H](c1ccc2c(c1)OCO2)C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1 ZINC000028377408 JH Annotated Anodyne CC(=O)Nc1ccc(Sc2ccc(N3C[C@H](CNC(=S)N(C)C)OC3=O)cc2F)cc1 ZINC000028378661 JH Annotated Anodyne NNC(=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1-c1ccccc1 ZINC000028380602 JH Annotated Reactive O=C(Nc1ccccc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2C(F)(F)F)cn1 ZINC000028381009 JH Annotated Anodyne Cc1c(C(=O)N/N=C/c2cccn2C)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028384549 JH Annotated Reactive O=C(O)C[C@H](c1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1 ZINC000028385950 JH Annotated Anodyne O=C(O)C[C@@H](c1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1 ZINC000028385956 JH Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 ZINC000028387957 JH Annotated Anodyne COc1cc2c(C(=O)NCCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028389104 JH Annotated Bother CCN(CC)CCC(=O)NC1=C[C@@H]2C(=O)c3ccc(NC(=O)CCN(CC)CC)cc3N=C2C=C1 ZINC000028397351 JH Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(-c3nc4ccccc4s3)c2cc1N1CCN(c2ccccn2)CC1 ZINC000028398028 JH Annotated Anodyne COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](Cc3coc([N+](=O)[O-])c3)cc1)C2 ZINC000028459081 JH Annotated Bother COc1cc2c(cc1OC)S[C@@H](C(=O)CCc1cc[n+](Cc3coc([N+](=O)[O-])c3)cc1)C2 ZINC000028459083 JH Annotated Bother Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)cc2Cl)cc1 ZINC000028459482 JH Annotated Anodyne CC(C)(C)c1ccc(CN(O)/C(S)=N/Cc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000028460314 JH Annotated Mild COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 ZINC000028460895 JH Annotated Anodyne CN1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccccc4Cl)s3)C2)C1 ZINC000028461274 JH Annotated Anodyne COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CCN(C)C4)C3)cc2)c(C)c1 ZINC000028463966 JH Annotated Anodyne O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028464242 JH Annotated Anodyne CS(=O)(=O)c1ccc(/C(COC(=O)c2cccnc2)=C(/C(=O)O)c2ccc(F)c(F)c2)cc1 ZINC000028476293 JH Annotated Anodyne O=C(O)CCCC(=O)N/C(=C\c1ccc(Oc2ccccc2I)cc1)C(=O)O ZINC000028520939 JH Annotated Anodyne Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCC(=O)O)n3nc(-c4ccccc4)cc3c12 ZINC000028523417 JH Annotated Anodyne O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(/C=C/CN3CCCCC3)ccc2C1 ZINC000028523594 JH Annotated Anodyne [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(Cl)c1C[C@H](O)NCc1cccc(Cl)c1 ZINC000028524153 JH Annotated Anodyne [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(Cl)c1C[C@@H](O)NCc1cccc(Cl)c1 ZINC000028524154 JH Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COCc2cccnc2)cc1 ZINC000028524750 JH Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(N2CCCC2)cc1 ZINC000028524895 JH Annotated Anodyne Cc1ccc(C(=O)N2CCCN2C(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028524972 JH Annotated Anodyne O=C(/C=C/c1cccs1)N/C=C/C[C@H]1C[C@H]2C[C@H](O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 ZINC000028524990 JH Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@H]2C[C@H](OC(C)=O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 ZINC000028525093 JH Annotated Anodyne CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O ZINC000028525408 JH Annotated Anodyne CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O ZINC000028525409 JH Annotated Anodyne CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525410 JH Annotated Anodyne CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525411 JH Annotated Anodyne O=C(/C=C/c1ccccc1)N/C=C/C[C@H]1C[C@H]2C[C@H](O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 ZINC000028526560 JH Annotated Anodyne Cc1cc2oc(Cc3ccccc3-n3cncn3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1 ZINC000028526860 JH Annotated Anodyne CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000028528138 JH Annotated Clean CC(C)N1C(=O)C(=O)N=C1N/C(=N\C(=O)OCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000028528968 JH Annotated Mild COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N(C)c3ccc(F)cc3F)C1)N2 ZINC000028529697 JH Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)N(C)c3ccc(F)cc3F)C1)N2 ZINC000028529699 JH Annotated Anodyne CCC(=O)N[C@H](c1nc(-c2nc(C(=O)N[C@@H](C)c3nc(C(=O)OC)co3)c(C)o2)cs1)C(C)C ZINC000028529909 JH Annotated Anodyne COc1ccc(OC)c(-c2cc(-c3ccc(O)cc3)nc(NCCCN3CCOCC3)n2)c1 ZINC000028530696 JH Annotated Anodyne CC(C)C[C@H](Oc1cccc2c(C#N)cc(C(=O)O)n12)C(=O)N[C@@H](CC(=O)O)c1ccccc1 ZINC000028564975 JH Annotated Mild CC(C)C[C@H](Oc1cccc2c(C#N)cc(C(=O)O)n12)C(=O)N[C@H](CC(=O)O)c1ccccc1 ZINC000028564977 JH Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)N2CCCCCC2)sc2c1CCC(C)(C)C2 ZINC000028565369 JH Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C)cn2)sc2c1CCC(C)(C)C2 ZINC000028565509 JH Annotated Mild COc1ccc(C#CCN2CCN(C)CC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028566048 JH Annotated Mild COc1ccnc2c1c(-c1ccnc(N)n1)c1cc(-c3ccnc(N)n3)nc(NCc3ccccc3)n12 ZINC000028568129 JH Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnn(-c2ccccc2)c1 ZINC000028568867 JH Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnn(-c2ccccc2)c1 ZINC000028568868 JH Annotated Anodyne COc1ccc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCN4C)n2)cn1 ZINC000028568930 JH Annotated Anodyne COc1ccc([C@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCN4C)n2)cn1 ZINC000028568931 JH Annotated Anodyne COc1ccc(S(=O)(=O)NN2C(=S)S/C(=C\c3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1 ZINC000028568977 JH Annotated Anodyne COc1ccc(S(=O)(=O)NN2C(=S)S/C(=C\c3ccc(Cl)c(Cl)c3)[C@H]2O)cc1 ZINC000028568978 JH Annotated Anodyne COc1cccc(S(=O)(=O)NN2C(=S)S/C(=C\c3ccc(Cl)c(Cl)c3)[C@@H]2O)c1 ZINC000028569037 JH Annotated Anodyne COc1cccc(S(=O)(=O)NN2C(=S)S/C(=C\c3ccc(Cl)c(Cl)c3)[C@H]2O)c1 ZINC000028569038 JH Annotated Anodyne CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CC4)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000028569055 JH Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CCCN1C(=O)c3ccccc3C1=O)CC2 ZINC000028569665 JH Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCCN1C(=O)c3ccccc3C1=O)CC2 ZINC000028569666 JH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CCCCc3nnn[nH]3)c3ccccc32)nc2ccccc21 ZINC000028569949 JH Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2SCc2ccccc2F)nc1 ZINC000028569954 JH Annotated Mild COc1cc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)ccc1[N+](=O)[O-] ZINC000028570192 JH Annotated Bother Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1CC(=O)NCc1ccnc(N)c1 ZINC000028570198 JH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CCCS(=O)(=O)O)c3ccccc32)nc2ccccc21 ZINC000028570471 JH Annotated Anodyne Cc1ccnc(CNC(=O)Cc2c(C)ccc(NCS(=O)(=O)c3cccc(Cl)c3)c2O)c1F ZINC000028570786 JH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CCCCS(=O)(=O)O)c3ccccc32)nc2ccccc21 ZINC000028570926 JH Annotated Anodyne COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)CC(=O)O)(c1ccc(F)cc1)C2=O ZINC000028571707 JH Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)CC(=O)O)(c1ccc(F)cc1)C2=O ZINC000028571708 JH Annotated Clean Cc1cccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O ZINC000028572061 JH Annotated Anodyne CCN(CC)C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000028572071 JH Annotated Anodyne CNc1c(OC)ccc2c1C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000028637136 JH Annotated Anodyne COc1cc(CCN2c3ccccc3S(=O)(=O)N(C)c3cccnc32)cc(OC)c1OC ZINC000028637408 JH Annotated Anodyne O=S(=O)(Oc1ccc(O)cc1)[C@@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000028637894 JH Annotated Anodyne O=S(=O)(/C=C/c1cc(F)c(F)c(F)c1)CS(=O)(=O)/C=C/c1cc(F)c(F)c(F)c1 ZINC000028639934 JH Annotated Anodyne CCCC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OC)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000028640660 JH Annotated Mild COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)C(C)C)=CC3=O)n1 ZINC000028641268 JH Annotated Mild COc1cc(N(C)CCCNC(=O)N[C@@H](CCSC)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000028642608 JH Annotated Anodyne O=C1O/C(=C\Cn2cc(-c3ccco3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028643989 JH Annotated Anodyne Oc1ccc(/C=C/c2cnc(OCCOCCOCCF)c(I)c2)cc1 ZINC000028644534 JH Annotated Anodyne O=c1n(Cc2nnc(SCc3cccc(Cl)c3)s2)nnn1-c1ccc(Cl)cc1 ZINC000028647674 JH Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@@]2(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H]3C=C(C)CC[C@@H]32)[C@H](O)[C@@H](O)[C@H]1O ZINC000028648486 JH Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@]2(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H]3C=C(C)CC[C@@H]32)[C@@H]1O ZINC000028648489 JH Annotated Anodyne O=C1/C(=N\NC(=S)Nc2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc2N1CN1CCCCC1 ZINC000028651573 JH Annotated Mild C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Br)cc2)C1=O ZINC000028651652 JH Annotated Mild C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Br)cc2)C1=O ZINC000028651655 JH Annotated Mild CCCN(CCC)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC ZINC000028702520 JH Annotated Anodyne CCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC ZINC000028702522 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc5c(c3)NC(=O)CS5)C4)c2c1 ZINC000028703208 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc5c(c3)NC(=O)CS5)C4)c2c1 ZINC000028703210 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)NC(=O)CS5)C4)c2n1 ZINC000028703212 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)NC(=O)CS5)C4)c2n1 ZINC000028703214 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)C[C@H](NC(=O)c3ccc5c(c3)NC(=O)CS5)CC4)c2c1 ZINC000028703220 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)C[C@@H](NC(=O)c3ccc5c(c3)NC(=O)CS5)CC4)c2c1 ZINC000028703222 JH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000028703450 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000028703452 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000028703453 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000028703455 JH Annotated Mild CN(C)CCOc1cc(F)c(-c2c(Cl)nc(N(C)C#N)nc2NCC(F)(F)F)c(F)c1 ZINC000028703525 JH Annotated Anodyne CCN1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C1=O ZINC000028704466 JH Annotated Anodyne CS(=O)(=O)c1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 ZINC000028709039 JH Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(N4CCCS4(=O)=O)cc2NC3=O)ccc1N ZINC000028710744 JH Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Nc2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc1 ZINC000028712249 JH Annotated Anodyne COc1cc(/C=N\c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc(OC)c1OC ZINC000028712268 JH Annotated Mild COc1ccc(/C=N/n2c(Cc3ccc(SC)cc3)nn(CN3CCOCC3)c2=S)cc1 ZINC000028712445 JH Annotated Mild CSc1ccc(Cc2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000028712450 JH Annotated Mild COc1ccc(/C=N/n2c(Cc3ccc(SC)cc3)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000028712452 JH Annotated Mild CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc(F)cc2)cc1 ZINC000028712455 JH Annotated Mild CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000028712457 JH Annotated Mild COc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712960 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712961 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712962 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712963 JH Annotated Anodyne CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028756344 JH Annotated Mild CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccc(OC)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028756534 JH Annotated Mild COc1ccc(Cc2cc(C3CCN(C(=O)c4cccc(OC)c4OC)CC3)nc(N)n2)cc1 ZINC000028760680 JH Annotated Anodyne CO[C@]1(c2cc(F)cc(S(=O)(=O)c3ccc(/C(C)=N/OCC#N)cc3)c2)CCO[C@@H](C)C1 ZINC000028761593 JH Annotated Mild Cc1ccc(N2CCN(c3ccc4c(ncc5c4c(=O)c(C(=O)O)cn5C)c3F)CC2)cc1F ZINC000028762582 JH Annotated Bother Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)NC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000028763477 JH Annotated Clean Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)NC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000028763479 JH Annotated Clean CCN(CCOCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028766571 JH Annotated Anodyne CCN(CCOCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028766573 JH Annotated Anodyne Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cc(CS(C)(=O)=O)no1 ZINC000028768475 JH Annotated Anodyne CC(=O)C[C@@H]1C[C@@H](CCCCCCCC#C[C@H](O)COCCOC[C@H](O)c2ccccc2)OC1=O ZINC000028769132 JH Annotated Mild CC(=O)C[C@H]1C[C@@H](CCCCCCCC#C[C@H](O)COCCOC[C@H](O)c2ccccc2)OC1=O ZINC000028769134 JH Annotated Mild CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(CC(C)C)[C@H](C(=O)O)C(C)C)cc1OC(C)C)C(=O)O ZINC000028769869 JH Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(CC(C)C)[C@@H](C(=O)O)C(C)C)cc1OC(C)C)C(=O)O ZINC000028769871 JH Annotated Anodyne CC(=O)C[C@@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccccc2)OC1=O ZINC000028770405 JH Annotated Mild CC(=O)C[C@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccccc2)OC1=O ZINC000028770407 JH Annotated Mild Cc1cc2c(cc1Cl)SC(N(N(C)C)S(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000028814802 JH Annotated Anodyne CCCS(=O)(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815813 JH Annotated Mild CCCS(=O)(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815815 JH Annotated Mild Cn1cncc1CN1C[C@@H](N(CC(=O)OC(C)(C)C)C(=O)c2ccccc2)Cc2cc(C#N)ccc21 ZINC000028815938 JH Annotated Mild Cn1cncc1CN1C[C@H](N(CC(=O)OC(C)(C)C)C(=O)c2ccccc2)Cc2cc(C#N)ccc21 ZINC000028815940 JH Annotated Mild Cn1cncc1CN1C[C@@H](N(Cc2ccccc2F)C(=O)c2cnns2)Cc2cc(C#N)ccc21 ZINC000028815969 JH Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2F)C(=O)c2cnns2)Cc2cc(C#N)ccc21 ZINC000028815970 JH Annotated Mild O=C1CSc2ccc(C(=O)N[C@@H]3CCc4nn(-c5cccc6cccnc56)cc4C3)cc2N1 ZINC000028817394 JH Annotated Anodyne O=C1CSc2ccc(C(=O)N[C@H]3CCc4nn(-c5cccc6cccnc56)cc4C3)cc2N1 ZINC000028817395 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)OCCCO5)C4)c2n1 ZINC000028817432 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)OCCCO5)C4)c2n1 ZINC000028817435 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)NCCS5)C4)c2n1 ZINC000028817437 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)NCCS5)C4)c2n1 ZINC000028817439 JH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C4)c2c1 ZINC000028817539 JH Annotated Bother COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C4)c2c1 ZINC000028817541 JH Annotated Bother N#C[C@@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)CCN(C2CCCCCC2)C1 ZINC000028817771 JH Annotated Mild CC1(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@]2(C#N)CCN(C3CCCCC3)C2)CCCCC1 ZINC000028817773 JH Annotated Mild CC(=O)C[C@@H](c1ccccc1)c1c(SC[C@@H](NC(C)=O)C(=O)O)c2ccccc2oc1=O ZINC000028818558 JH Annotated Anodyne CC(=O)C[C@H](c1ccccc1)c1c(SC[C@@H](NC(C)=O)C(=O)O)c2ccccc2oc1=O ZINC000028818560 JH Annotated Anodyne CC(C)CNC(=O)[C@@H]1S[C@@H](c2ccc(F)c(Br)c2)N(CCc2ccccn2)C1=O ZINC000028819477 JH Annotated Anodyne CC(C)CNC(=O)[C@H]1S[C@@H](c2ccc(F)c(Br)c2)N(CCc2ccccn2)C1=O ZINC000028819479 JH Annotated Anodyne CC(C)CNC(=O)[C@@H]1S[C@H](c2ccc(F)c(Br)c2)N(CCc2ccccn2)C1=O ZINC000028819481 JH Annotated Anodyne CC(C)CNC(=O)[C@H]1S[C@H](c2ccc(F)c(Br)c2)N(CCc2ccccn2)C1=O ZINC000028819483 JH Annotated Anodyne COc1cc(-c2nnc(Sc3ncnc4c(OC)c(OC)c(OC)cc34)o2)cc(OC)c1OC ZINC000028819715 JH Annotated Anodyne COc1c(N2CCc3sccc3C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000028821937 JH Annotated Bother CC(=O)Nc1c(F)c(N2CCc3sccc3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000028821941 JH Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(N)=O)[C@H](c2nccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822189 JH Annotated Anodyne Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(C(F)(F)F)c3)c(O)c(=O)c2c1 ZINC000028822457 JH Annotated Anodyne CN(C)c1ccc(C#Cc2cnc(OCCOCCOCCF)c(I)c2)cc1 ZINC000028822525 JH Annotated Mild CN(C)c1ccc(C#Cc2cnc(OCCOCCOCCF)c(Br)c2)cc1 ZINC000028822527 JH Annotated Mild CC(C)(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822826 JH Annotated Anodyne CC(C)(CNC(=O)c1ccc2c(Cl)c[nH]c2c1)NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000028822829 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000028822901 JH Annotated Anodyne O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc(Cl)s1 ZINC000028822935 JH Annotated Anodyne O=C(CSc1nnnn1-c1ccc(C2CC2)cc1Cl)Nc1ccc(C#CCO)cc1Cl ZINC000028823601 JH Annotated Mild CCCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC)N1C(=O)OCC ZINC000028823731 JH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823737 JH Annotated Anodyne C[C@@H]1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(cc(N(C)S(C)(=O)=O)c2)CC1 ZINC000028824415 JH Annotated Anodyne C[C@H]1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(cc(N(C)S(C)(=O)=O)c2)CC1 ZINC000028824416 JH Annotated Anodyne COC(=O)c1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCC(C)C ZINC000028824463 JH Annotated Anodyne CC(C)CCn1c(CN2C(=O)N(C3CC3)S(=O)(=O)c3ccccc32)nc2cc(CN)ccc21 ZINC000028824561 JH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)N2CCN(C)CC2)s1 ZINC000028827413 JH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)N2CCN(C)CC2)s1 ZINC000028827414 JH Annotated Anodyne Cc1cc(=O)cc(-c2cc(O)c(O)cc2-c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)o1 ZINC000028861965 JH Annotated Clean C=CCN1C(=O)[C@H]([C@@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 ZINC000028863712 JH Annotated Mild C=CCN1C(=O)[C@@H]([C@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 ZINC000028863713 JH Annotated Mild COc1ncccc1N/C(=N\C#N)N[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)(Cl)Cl ZINC000028866320 JH Annotated Mild COc1ncccc1N/C(=N\C#N)N[C@H](NC(=O)c1ccc(Cl)cc1)C(C)(Cl)Cl ZINC000028866322 JH Annotated Mild O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000028868026 JH Annotated Bother CCCN(C(=O)CCC(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(C(=N)N)cc2)C1=O ZINC000028869565 JH Annotated Anodyne CCCN(C(=O)CCC(=O)O)C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(C(=N)N)cc2)C1=O ZINC000028869569 JH Annotated Anodyne COc1cc(OC)c(C2CCN(C)CC2)c(O)c1C(=O)/C=C/c1ccc(N2CCN(C)CC2)cc1 ZINC000028871248 JH Annotated Mild CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5cccc6ccncc56)C(=O)C[C@@H]42)C=C3[C@@H](O)[C@@H]1O ZINC000028872511 JH Annotated Anodyne CC(C)N(CCCCOC/C(O)=N/S(N)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028875900 JH Annotated Mild O=C(NN1CCCCC1)C1=NS(=O)(=O)N(C2CCCCC2)C(c2ccc(Br)cc2)=C1 ZINC000028876204 JH Annotated Anodyne COC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878818 JH Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)N(C)CCOCCN(C)C(C)=O)cc2)c1Cl ZINC000028887761 JH Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(OC(=O)N(C)CCOCCN(C)C(C)=O)cc2)c1Cl ZINC000028887767 JH Annotated Anodyne CCc1ncnc(N(C)[C@@H](C)c2ccc(OC(=O)N(C)CCOCCN(C)C(C)=O)cc2)c1Cl ZINC000028887794 JH Annotated Anodyne CCc1ncnc(N(C)[C@H](C)c2ccc(OC(=O)N(C)CCOCCN(C)C(C)=O)cc2)c1Cl ZINC000028887799 JH Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)NCCCOCCCNC(C)=O)cc2)c1Cl ZINC000028887828 JH Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(OC(=O)NCCCOCCCNC(C)=O)cc2)c1Cl ZINC000028887833 JH Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(NC(=O)N(C)CCOCCN(C)C(C)=O)cc2)c1Cl ZINC000028887848 JH Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(NC(=O)N(C)CCOCCN(C)C(C)=O)cc2)c1Cl ZINC000028887851 JH Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#C[C@@H](O)c3ccc(OCCCN(C)C)cc3)c21 ZINC000028888144 JH Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#C[C@H](O)c3ccc(OCCCN(C)C)cc3)c21 ZINC000028888149 JH Annotated Mild O=C1C(NCCc2cc(Br)c(O)c(Br)c2)=CC2=NCCc3c[nH]c1c32 ZINC000028895442 JH Annotated Mild O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC(=O)C6CC6)n5)cc4c23)CCC1 ZINC000028897146 JH Annotated Anodyne CCNC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897198 JH Annotated Anodyne N[C@@H](CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)C(=O)O ZINC000028897257 JH Annotated Anodyne N[C@H](CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)C(=O)O ZINC000028897259 JH 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](O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900012 JH Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900087 JH Annotated Mild in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900096 JH Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000028900145 JH Annotated Mild in-vitro biogenic CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4nnc(-c5ccccc5)o4)n[nH]c2-3)C(=O)O1 ZINC000028949242 JH Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cccnc4)n[nH]c2-3)C(=O)O1)c1cccnc1 ZINC000028949306 JH Annotated Anodyne Cc1cc(C(=O)NC[C@H]2CN(c3ccc4c(c3)CCCc3c(-c5cc(C)on5)n[nH]c3-4)C(=O)O2)no1 ZINC000028949321 JH Annotated Anodyne CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028951458 JH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CNS(C)(=O)=O)ccc21 ZINC000028952218 JH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CC(=O)OC(C)(C)C)c3ccccc32)nc2cc(C(=N)N)ccc21 ZINC000028952223 JH Annotated Anodyne CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953389 JH Annotated Anodyne C=CCNC(=O)[C@]1(N(Cc2ccncc2)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953442 JH Annotated Mild C=CCNC(=O)[C@@]1(N(Cc2ccncc2)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953444 JH Annotated Mild CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953522 JH Annotated Anodyne CC(=O)C1=NN(c2cc(C)ccc2F)C[C@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953524 JH Annotated Anodyne O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000028956024 JH Annotated Anodyne O=C(N1CCCC1)N1CC[C@H](CNS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1 ZINC000028956103 JH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC(=O)c1ccccc1)C1=CCOC1=O ZINC000028956283 JH Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC(=O)c1ccccc1)C1=CCOC1=O ZINC000028956289 JH Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C1=CCOC1=O ZINC000028956295 JH Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C1=CCOC1=O ZINC000028956299 JH Annotated Mild O=C1NCCCC[C@H]1N(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957602 JH Annotated Anodyne COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 ZINC000028960737 JH Annotated Anodyne CC(=O)O[C@]12CCC(C(=O)OC(C)C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966532 JH Annotated Anodyne CCCOC(=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 ZINC000028966548 JH Annotated Anodyne CC(=O)O[C@]12CCC(C(=O)OCC(C)C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966564 JH Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 ZINC000028969401 JH Annotated Anodyne COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1 ZINC000028969424 JH Annotated Anodyne CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000028969800 JH Annotated Anodyne CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000028969805 JH Annotated Anodyne CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@@H]3[C@H](CC=C4CC=CC(=O)[C@@]43C)[C@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000028969810 JH Annotated Anodyne CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@@H]3[C@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000028969815 JH Annotated Anodyne C=CC(C)(C)c1[nH]c2cc3c(cc2c1/C=C1\NC(=O)[C@H](C)NC1=O)C[C@H](C(C)(C)O)OC3(C)C ZINC000028972528 JH Annotated Mild CC(C)=CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21 ZINC000028972629 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccccc2Br)O1 ZINC000028974404 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccccc2Br)O1 ZINC000028974408 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccccc2Br)O1 ZINC000028974415 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccccc2Br)O1 ZINC000028974420 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Br)c2)O1 ZINC000028974459 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccc(Br)c2)O1 ZINC000028974464 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccc(Br)c2)O1 ZINC000028974470 JH Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccc(Br)c2)O1 ZINC000028974476 JH Annotated Anodyne COc1ccc(Br)c([C@@H]2CCO[P@@](=O)(COCCn3cnc4c(N)ncnc43)O2)c1 ZINC000028974712 JH Annotated Anodyne COc1ccc(Br)c([C@H]2CCO[P@@](=O)(COCCn3cnc4c(N)ncnc43)O2)c1 ZINC000028974718 JH Annotated Anodyne COc1ccc(Br)c([C@@H]2CCO[P@](=O)(COCCn3cnc4c(N)ncnc43)O2)c1 ZINC000028974724 JH Annotated Anodyne COc1ccc(Br)c([C@H]2CCO[P@](=O)(COCCn3cnc4c(N)ncnc43)O2)c1 ZINC000028974729 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1CCO[P@@](=O)(COCCn2cnc3c(N)ncnc32)O1 ZINC000028974736 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1CCO[P@@](=O)(COCCn2cnc3c(N)ncnc32)O1 ZINC000028974742 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1CCO[P@](=O)(COCCn2cnc3c(N)ncnc32)O1 ZINC000028974748 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1CCO[P@](=O)(COCCn2cnc3c(N)ncnc32)O1 ZINC000028974753 JH Annotated Anodyne COc1ccc([C@@H]2CCO[P@@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1Br ZINC000028974759 JH Annotated Anodyne COc1ccc([C@H]2CCO[P@@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1Br ZINC000028974764 JH Annotated Anodyne COc1ccc([C@@H]2CCO[P@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1Br ZINC000028974768 JH Annotated Anodyne COc1ccc([C@H]2CCO[P@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1Br ZINC000028974773 JH Annotated Anodyne C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976039 JH Annotated Anodyne CCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976050 JH Annotated Anodyne CC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977943 JH Annotated Anodyne COCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977959 JH Annotated Anodyne C[C@H](CCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978287 JH Annotated Anodyne Cc1nnn(CCC[C@@H](C)N(c2cc(Cl)ccc2CO)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000028978315 JH Annotated Anodyne Cc1nnnn1CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978328 JH Annotated Anodyne CC[C@@H](O)c1cnc(-c2[nH]c3ccc(Br)cc3c2S(=O)(=O)N2CCCC2)[nH]1 ZINC000029039012 JH Annotated Anodyne CC[C@H](O)c1cnc(-c2[nH]c3ccc(Br)cc3c2S(=O)(=O)N2CCCC2)[nH]1 ZINC000029039014 JH Annotated Anodyne O=S(=O)(c1c(-c2nc3cccc(O)c3[nH]2)[nH]c2ccc(Br)cc12)N1CCCC1 ZINC000029039022 JH Annotated Anodyne COCCNS(=O)(=O)/N=C(\O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12 ZINC000029041467 JH Annotated Mild COc1cc2[nH]c(-c3ccc(F)cc3)c(CCC/C(O)=N/S(=O)(=O)N(C)C)c2cc1C#N ZINC000029041482 JH Annotated Mild CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O)C=C(Cl)C(=O)[C@@](Cl)([C@H]2OC)[C@@H]1O ZINC000029042158 JH Annotated Mild CC[C@]1(C)C[C@@H](OC(=O)CSc2n[nH]c(N)n2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000029043469 JH Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CNC(=O)c2ccco2)C1 ZINC000029043798 JH Annotated Anodyne Cc1cc(CNC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)nn1C ZINC000029043922 JH Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CNC(=O)c2ccccc2)C1 ZINC000029043925 JH Annotated Anodyne Cc1cnc(CNC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 ZINC000029043931 JH Annotated Anodyne Cc1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cccc2n1 ZINC000029055664 JH Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2cccc3nccn23)CC1 ZINC000029055801 JH Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccn3ccnc3c2)CC1 ZINC000029055872 JH Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc3nccn3c2)CC1 ZINC000029056379 JH Annotated Anodyne COc1ccc(C(=O)CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1 ZINC000029057493 JH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2c[nH]c3c([N+](=O)[O-])cccc23)cc1 ZINC000029060979 JH Annotated Bother NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2c[nH]c3c([N+](=O)[O-])cccc23)cc1 ZINC000029060984 JH Annotated Bother COc1c(N2CCN(C)[C@@H](c3ccccc3)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123288 JH Annotated Bother COc1c(N2CCC(N3CCCCC3)CC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123768 JH Annotated Bother O=C(N[C@H](C(=O)c1nc2ccccc2o1)C1CC1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000029125258 JH Annotated Anodyne COc1cc2c(cc1OCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125383 JH Annotated Bother CC(=O)N1CC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC2)c2cc(CN)ccc21 ZINC000029126337 JH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2cccc(Br)c2)cc1OC ZINC000029126433 JH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2cccc(Br)c2)cc1OC ZINC000029126434 JH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(Br)cc2F)cc1OC ZINC000029126697 JH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc(Br)cc2F)cc1OC ZINC000029126698 JH Annotated Mild C[C@@H]1COc2c(N3CCc4ccccc4[C@@H]3C(=O)NC(C)(C)C)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000029126807 JH Annotated Anodyne C[C@H]1COc2c(N3CCc4ccccc4[C@@H]3C(=O)NC(C)(C)C)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000029126808 JH Annotated Anodyne O=C(O)CCc1cc(=O)n(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc12 ZINC000029128432 JH Annotated Anodyne O=C(O)Cc1cc(=O)n(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc12 ZINC000029128434 JH Annotated Anodyne COC(=O)CCCC=C(c1cc(C)c2oc(=O)n(C)c2c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000029129015 JH Annotated Anodyne COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000029130029 JH Annotated Anodyne COC(=O)C1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000029130044 JH Annotated Anodyne COC(=O)C1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000029130046 JH Annotated Anodyne Cc1nc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(I)cc2)sc1C ZINC000029130789 JH Annotated Anodyne CCO[C@@H](C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000029130889 JH Annotated Anodyne in-vivo CCO[C@H](C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000029130891 JH Annotated Anodyne in-vivo CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2ccnc(N)c2)CC1 ZINC000029131764 JH Annotated Anodyne COc1cc(Cc2nnc(S)n2-c2ccc(Cl)cc2)c(S(=O)(=O)N2CCCC2)cc1OC ZINC000029132341 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1Cc1nnc(S)n1-c1ccc(Cl)cc1 ZINC000029132544 JH Annotated Anodyne C=CC(=O)N1C[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 ZINC000029217010 JH Annotated Mild CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CN)c1=O ZINC000029222884 JH Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CCN)c1=O ZINC000029226204 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(=O)[C@H](C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000029230981 JH Annotated Anodyne CCOCCOCCOCCOc1ccccc1C(SCCC(=O)O)SCCC(=O)O ZINC000029231187 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(=O)[C@@H](C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000029235966 JH Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000029240058 JH Annotated Mild CC(C)(C)C(=O)O/C=C1/C(=O)N2[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)C(C)(C)[S@@](=O)[C@H]12 ZINC000029242855 JH Annotated Anodyne O=C1C[C@@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(N2Cc3ccccc3S2)CC1 ZINC000029245510 JH Annotated Anodyne O=C1C[C@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(N2Cc3ccccc3S2)CC1 ZINC000029245519 JH Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CCCN3CCN(C)CC3)ccc2c1 ZINC000029253104 JH Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CCCN3CCN(C)CC3)ccc2c1 ZINC000029253109 JH Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N/c3c(F)cccc3F)n(CP(C)(C)=O)c(=O)n1CC2 ZINC000029308512 JH Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)CCCCCC(=S)N[C@H](c1nc(N)no1)CSC2 ZINC000029318684 JH Annotated Anodyne CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(NCCNCCO)ccc1c32 ZINC000029324646 JH Annotated Bother CCN(CC)CCn1nc2c3c(OC)ccc(OC)c3sc3c(NCCNCCO)ccc1c32 ZINC000029330322 JH Annotated Bother COc1cc(OC)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(OC)c1C2=O ZINC000029333693 JH Annotated Reactive CNc1cc(NC(=O)OC)ccc1NC1=C2C=CCC(OC)(OC)C2=N[C@@H]2C1=CC=CC2(OC)OC ZINC000029336668 JH Annotated Anodyne CNc1cc(NC(=O)OC)ccc1NC1=C2C=CCC(OC)(OC)C2=N[C@H]2C1=CC=CC2(OC)OC ZINC000029336672 JH Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C(Br)Br)cc(OC)c1C2=O ZINC000029343515 JH Annotated Reactive O=C(NC(=O)c1ccc(I)cc1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029343801 JH Annotated Anodyne O=C(NC(=O)c1ccc(I)cc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029343805 JH Annotated Anodyne Cc1ccc(C(=O)OC[C@@H]2O[C@@H](N3C=CSCC3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000029346056 JH Annotated Anodyne Cc1ccc(C(=O)OC[C@H]2O[C@@H](N3C=CSCC3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000029346060 JH Annotated Anodyne Cc1ccc(C(=O)OC[C@@H]2O[C@H](N3C=CSCC3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000029346064 JH Annotated Anodyne Cc1ccc(C(=O)OC[C@H]2O[C@H](N3C=CSCC3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000029346068 JH Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN3CCOCC3)c2)c(Cl)c1Cl ZINC000029346145 JH Annotated Clean CC(=O)Oc1cc2c(cc1OC(C)=O)-c1cc3cc(OC(C)=O)c(OC(C)=O)cc3n1CC2 ZINC000029346224 JH Annotated Anodyne Cc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]12 ZINC000029390200 JH Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])N[C@H](CNC(C)C)CC3)c(C)c1 ZINC000029390388 JH Annotated Mild Cc1cc(C)c(S(=O)(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])N[C@@H](CNC(C)C)CC3)c(C)c1 ZINC000029390391 JH Annotated Mild CN(C)c1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)C(=O)C[S@](=O)C2(c1ccccc1)c1ccccc1 ZINC000029390752 JH Annotated Anodyne CN(C)c1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)C(=O)C[S@@](=O)C2(c1ccccc1)c1ccccc1 ZINC000029390755 JH Annotated Anodyne COC(OC)[C@@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O ZINC000029394566 JH Annotated Bother CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(OC)cc3nc12 ZINC000029395493 JH Annotated Clean CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4c3C(=O)C=C(NCCCl)C4=O)cccc12 ZINC000029396051 JH Annotated Reactive COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O ZINC000029396506 JH Annotated Anodyne COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(C(F)(F)F)cc2)[C@@H]1O ZINC000029396511 JH Annotated Anodyne Cc1c(Sc2ccccc2)n(COCO)c(=O)n(CCCCCCCBr)c1=O ZINC000029396645 JH Annotated Reactive O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1I)c1ccncc1 ZINC000029396895 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H]2CCC[C@@](O)(CO)[C@@]2(C)CC[C@H]1C)OC(C)=O ZINC000029396979 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000029396982 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H]2CCC[C@@](O)(CO)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000029396985 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@]2(C)[C@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000029396988 JH Annotated Anodyne CN1CCN(c2c(F)c(OCc3ccccc3)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000029397099 JH Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)[n+](C)c2)n2c1CCC2 ZINC000029398640 JH Annotated Anodyne COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O ZINC000029400570 JH Annotated Bother COC(OC)[C@@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@@H]1O ZINC000029400673 JH Annotated Bother COC(OC)[C@@]1(C)Oc2ccc(N)cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@@H]1O ZINC000029401103 JH Annotated Anodyne COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@@H]1O ZINC000029401257 JH Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](C)c(Cl)c2)n2c1CCC2 ZINC000029402915 JH Annotated Anodyne COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@@H]1O ZINC000029407017 JH Annotated Bother O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1COP(=O)(O)O ZINC000029410236 JH Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000029413300 JH Annotated Mild CC[C@@H](CO)NCCCOc1ccc2cc3ccc(OCCCN[C@@H](CC)CO)cc3nc2c1 ZINC000029414403 JH Annotated Bother CC[C@@H](CO)NCCCOc1ccc2cc3ccc(OCCCN[C@H](CC)CO)cc3nc2c1 ZINC000029414406 JH Annotated Bother CC[C@H](CO)NCCCOc1ccc2cc3ccc(OCCCN[C@H](CC)CO)cc3nc2c1 ZINC000029414410 JH Annotated Bother COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OC(C)(C)O5)CC3)OC2=O)cc1 ZINC000029414742 JH Annotated Anodyne CCOC(=O)CCCn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O ZINC000029416646 JH Annotated Anodyne O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(OC(F)(F)F)cc1 ZINC000029417008 JH Annotated Anodyne O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(OCC2CC2)cc1 ZINC000029417011 JH Annotated Anodyne C1=NCCCN1Cc1ccc2[nH]c(CCc3nc4cc(CN5C=NCCC5)ccc4[nH]3)nc2c1 ZINC000029465898 JH Annotated Anodyne CCOC(=O)CCC(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029474703 JH Annotated Anodyne CC[C@@H](OC)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029476050 JH Annotated Anodyne CC[C@H](OC)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029476054 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)NN)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029477457 JH Annotated Reactive CC(C)C[C@@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029479202 JH Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(CC2CCC(CN3CCC[C@@H](C(=O)N(CC)CC)C3)CC2)C1 ZINC000029485947 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(CC2CCC(CN3CCC[C@@H](C(=O)N(CC)CC)C3)CC2)C1 ZINC000029485950 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@]1(O)CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029489236 JH Annotated Anodyne CN(CCCl)CCNc1ccc(NCCN(C)CCCl)c2c1C(=O)c1ccccc1C2=O ZINC000029489812 JH Annotated Reactive COc1cc(C)cc2c1[C@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncccc1CC2 ZINC000029546128 JH Annotated Anodyne COc1cc(C)cc2c1[C@@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncccc1CC2 ZINC000029546131 JH Annotated Anodyne NC(=O)[C@@H](CO)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029558503 JH Annotated Anodyne NC(=O)[C@H](CO)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029558506 JH Annotated Anodyne O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000029560517 JH Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000029560520 JH Annotated Reactive O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000029565332 JH Annotated Reactive O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000029565336 JH Annotated Reactive CN(C)CCCNc1nc(/N=C(\N)Nc2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1 ZINC000029569054 JH Annotated Mild CN(C)CCC/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/CCCN(C)C)cc3)o2)cc1 ZINC000029571646 JH Annotated Mild O=S(=O)(Oc1ccc(O)cc1)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000299806081 JH Annotated Anodyne O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000299806082 JH Annotated Anodyne CN1CCN(CCC(=O)N2CC[C@]3(N(C)C)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000299806715 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000299807568 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCC[C@@](O)(CO)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000299807569 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCC[C@](O)(CO)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000299807571 JH Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(O)CO)OC(C)=O ZINC000299807572 JH Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299807641 JH Annotated Anodyne CN1CCN(CCC(=O)N[C@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299807644 JH Annotated Anodyne C[C@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000299807731 JH Annotated Anodyne C[C@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000299807734 JH Annotated Anodyne C[C@@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000299807736 JH Annotated Anodyne C[C@@H]1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@H]3C[C@H]4C[C@]21C[C@@]4(C)O3 ZINC000299807738 JH Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299808824 JH Annotated Anodyne CN1CCN(CC(=O)O[C@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299808825 JH Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)O[C@H]1CCl ZINC000299808993 JH Annotated Reactive CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CCl)O[C@@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21 ZINC000299808995 JH Annotated Reactive CC1=CC(=O)[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000299811488 JH Annotated Mild O=C(O)[C@@H]1CC[C@H](Nc2ccc3c(=O)n(-c4cccc(Cl)c4)c(=O)n4c3c2CCC4)CC1 ZINC000299811665 JH Annotated Anodyne Cc1cccc(NC(=S)N=Nc2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000299813131 JH Annotated Clean Cc1ccc(NC(=S)N=Nc2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1 ZINC000299813185 JH Annotated Clean C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000299813863 JH Annotated Bother C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000299813864 JH Annotated Bother COC(=O)[C@@H](Cc1ccccc1)N1CC=CCOc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000299814163 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@H]1C[C@@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000299814213 JH Annotated Anodyne CS[C@H]([C@H]1c2ccccc2N(C)C2=NC(=O)N(C)C(=O)[C@@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000299814287 JH Annotated Anodyne CS[C@H]([C@@H]1c2ccccc2N(C)C2=NC(=O)N(C)C(=O)[C@@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000299814288 JH Annotated Anodyne CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccco4)N[C@@H]3c3ccco3)[C@]2(C#N)[C@H](c2ccco2)N1 ZINC000299814562 JH Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncc(Br)cn34)C2(C)C)ccc1C#N ZINC000299816402 JH Annotated Mild Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]1[S@@]2=O ZINC000299817010 JH Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]1[S@]2=O ZINC000299817011 JH Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c2cc(N(C)C)ccn2c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299819322 JH Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2noc3cccc(Cl)c23)CC1 ZINC000299820246 JH Annotated Anodyne O=C(O)C[C@@H]1c2ccc(C(F)(F)F)nc2NCCN1C(=O)Cc1cccc(C(=O)OCC2CC2)c1 ZINC000299820416 JH Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)N1CCN(c2noc3cccc(Cl)c23)CC1 ZINC000299820933 JH Annotated Anodyne C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCc1ccc(Br)cc1 ZINC000299821244 JH Annotated Anodyne O=C(O)C[C@@H]1c2ccc(C(F)(F)F)nc2NCCN1C(=O)Cc1cccc(OC(=O)CC2CC2)c1 ZINC000299821321 JH Annotated Anodyne COc1c2c(cc3c1c(=O)c1cc4ccccc4nc1n3C)OC(C)(C)[C@@H](OC(C)=O)[C@H]2OC(C)=O ZINC000299821488 JH Annotated Bother C[C@H]([C@@H](O)c1ccccc1)N(C)CCCS(=O)(=O)NCCNc1cccc2ccccc12 ZINC000299821845 JH Annotated Anodyne C[C@@H]([C@H](O)c1ccccc1)N(C)CCCS(=O)(=O)NCCNc1cccc2ccccc12 ZINC000299821848 JH Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)CCCS(=O)(=O)NCCNc1cccc2ccccc12 ZINC000299821851 JH Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)CCCS(=O)(=O)NCCNc1cccc2ccccc12 ZINC000299821854 JH Annotated Anodyne CC(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3[C@H]2CC(=O)O)c1 ZINC000299821942 JH Annotated Anodyne O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1 ZINC000299822876 JH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)O[C@@H](C(C)(C)O)C3)c(O)c1C ZINC000299822887 JH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)O[C@H](C(C)(C)O)C3)c(O)c1C ZINC000299822888 JH Annotated Anodyne CC(=N)NCCNc1c2c(c(NCCNC(C)=N)c3sccc13)C(=O)c1ccccc1C2=O ZINC000299822952 JH Annotated Clean O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2noc3c(Cl)cccc23)CC1 ZINC000299823155 JH Annotated Anodyne CCOC(=O)Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(Br)cc2)nn1 ZINC000299823302 JH Annotated Mild CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@H](NCc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000299823684 JH Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000299823686 JH Annotated Anodyne CC(=O)c1ccc(NC[C@H]2C(=O)[C@@]34[C@@H](CC[C@@H]2[C@H]3O)[C@]2(C)CCC(=O)C(C)(C)[C@H]2C[C@H]4O)cc1 ZINC000299824120 JH Annotated Anodyne CC(=O)c1ccc(NC[C@@H]2C(=O)[C@@]34[C@@H](CC[C@@H]2[C@H]3O)[C@]2(C)CCC(=O)C(C)(C)[C@H]2C[C@H]4O)cc1 ZINC000299824131 JH Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)N1CCN(c2noc3c(Cl)cccc23)CC1 ZINC000299824697 JH Annotated Anodyne O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000299824708 JH Annotated Anodyne C[C@@](O)(Cc1cn(CC(=O)c2ccc(F)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299824726 JH Annotated Anodyne C[C@](O)(Cc1cn(CC(=O)c2ccc(F)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299824729 JH Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)[C@@H]2CCC[C@@H](N3CCCC3)[C@H]21 ZINC000299824790 JH Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)[C@@H]2CCC[C@H](N3CCCC3)[C@@H]21 ZINC000299824794 JH Annotated Anodyne O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3CC[C@@H]12)c1ccc(Cl)s1 ZINC000299824935 JH Annotated Anodyne C[C@@H](O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 ZINC000299826002 JH Annotated Anodyne C[C@H](O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 ZINC000299826004 JH Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3ccccc3Cl)c(O)cc(O)c12 ZINC000299826060 JH Annotated Clean COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C(F)(F)F)ccc1-n1cnc(C)n1 ZINC000299826246 JH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)OC(C)(C)[C@@H](O)C3)c(O)c1C ZINC000299826517 JH Annotated Anodyne CC(=O)COC[C@H]1O[C@@H]2c3cc(C(C)(C)C)ccc3SC[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000299826941 JH Annotated Anodyne C=C(C)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000299827083 JH Annotated Mild C=CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000299827564 JH Annotated Mild CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299827683 JH Annotated Clean CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299827686 JH Annotated Clean COc1ccc([C@H]2[C@H]([C@@H](O)c3ccc(O)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299827934 JH Annotated Anodyne COc1ccc([C@H]2[C@H]([C@H](O)c3ccc(O)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299827937 JH Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OCC)cc2)C(=O)N(c2ccc(OCC)cc2)[C@H]1C(=O)OCC ZINC000299828708 JH Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OCC)cc2)C(=O)N(c2ccc(OCC)cc2)[C@@H]1C(=O)OCC ZINC000299828709 JH Annotated Anodyne COc1ccc(O[C@@H]([C@H](CO)N=[N+]=[N-])[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299830270 JH Annotated Clean COc1ccc(-n2c(Sc3sc(N)nc3C)nc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000299830432 JH Annotated Anodyne CC(=O)NCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000299831670 JH Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C2CC2)CCN3CCC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299832054 JH Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](C2CC2)CCN3CCC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299832057 JH Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(Cl)cc4)CC3)c2c1 ZINC000299832860 JH Annotated Anodyne Cc1ccc(CNC(=O)c2cccc3c2NC(=O)[C@H](C(C)(C)C(=O)NCc2ccccc2)C(=O)N3)cc1 ZINC000299833135 JH Annotated Anodyne Cc1ccc(CNC(=O)c2cccc3c2NC(=O)[C@@H](C(C)(C)C(=O)NCc2ccccc2)C(=O)N3)cc1 ZINC000299833137 JH Annotated Anodyne CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(COC(=O)C(C)C)C3 ZINC000299833155 JH Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](O)[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000299833398 JH Annotated Mild COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2Cl)ccc1-n1cnc(C)n1 ZINC000299833519 JH Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC([C@H]4C(=O)Nc5ccc(Cl)cc54)CC3)c2c1 ZINC000299834204 JH Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC([C@@H]4C(=O)Nc5ccc(Cl)cc54)CC3)c2c1 ZINC000299834205 JH Annotated Anodyne COc1ccc(-c2oc(C3CCC(CO)CC3)nc2C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000299834269 JH Annotated Anodyne CC(C)C(=O)N1CCC(N(C)c2ncnc3c(-c4ccc(S(C)(=O)=O)cc4F)csc23)CC1 ZINC000299834817 JH Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(I)cc1 ZINC000299835384 JH Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](C)CC(=O)N3CC2CC(F)(F)C2)ccc1-n1cnc(C)c1 ZINC000299835823 JH Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C)CC(=O)N3CC2CC(F)(F)C2)ccc1-n1cnc(C)c1 ZINC000299835824 JH Annotated Anodyne COc1ccc(C(=O)NCC(=O)NCC#N)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1 ZINC000299836233 JH Annotated Mild Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccncn3)[nH]c3ccc(Cl)cc23)c1 ZINC000299836456 JH Annotated Anodyne COc1ccc(N(CC(=O)NCCCSc2ccccc2)C(=O)CNC(=O)OC(C)(C)C)cc1 ZINC000299836866 JH Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3cccc(Cl)c3)c(O)cc(O)c12 ZINC000299838031 JH Annotated Clean CN(C)c1ccc(/C=C2\COC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1 ZINC000299838191 JH Annotated Mild COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]23 ZINC000299838529 JH Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1I ZINC000299839681 JH Annotated Anodyne CCOC(=O)CNc1nc(Nc2ccc(C)cc2)nc(OCc2cc3ccccc3oc2=O)n1 ZINC000299840031 JH Annotated Anodyne C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 ZINC000299840070 JH Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCc3ccc(Cl)cc3)c(O)cc(O)c12 ZINC000299840171 JH Annotated Clean O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3ccc(Cl)cc3)c(O)cc(O)c12 ZINC000299840613 JH Annotated Clean CN1C/C(=C\c2ccc(N(C)C)cc2[N+](=O)[O-])C(=O)/C(=C/c2ccc(N(C)C)cc2[N+](=O)[O-])C1 ZINC000299840676 JH Annotated Mild O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc2c(c1)OCO2 ZINC000299840784 JH Annotated Anodyne O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc2c(c1)OCO2 ZINC000299840785 JH Annotated Anodyne CC1=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(C(=O)C2=C(O)[C@@H](CO)N(C)C2=O)[C@H]1/C=C/C=C/C[C@@H](C)O ZINC000299841480 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\CC(=O)CC[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000299844145 JH Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)CCC(=O)C/C=C\C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000299844146 JH Annotated Mild C=C1[C@H](O)[C@@H]2/C=C/C[C@@H](C)CCC(=O)C/C=C\C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000299844147 JH Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000299844434 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](/C=C/C[C@@H](C)C[C@@](C)(O)/C=C/[C@H]3OC(C)=O)[C@H]1O ZINC000299844435 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@H]1O ZINC000299844436 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000299844437 JH Annotated Mild CN1CCN([C@]23C[C@H](NC(=O)CN4CCCC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000299845078 JH Annotated Anodyne O=C(OC[C@@H]1CCCO1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccc(O)cc1 ZINC000299845245 JH Annotated Anodyne O=C(OC[C@H]1CCCO1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC[C@H]2CCCO2)[C@H]1c1ccc(O)cc1 ZINC000299845247 JH Annotated Anodyne O=C(OC[C@@H]1CCCO1)[C@H]1[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC[C@H]2CCCO2)[C@@H]1c1ccc(O)cc1 ZINC000299845249 JH Annotated Anodyne O=C(OC[C@@H]1CCCO1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC[C@H]2CCCO2)[C@H]1c1ccc(O)cc1 ZINC000299845251 JH Annotated Anodyne O=C(OC1CCOCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000299845344 JH Annotated Anodyne COc1c(NC(=O)[C@@H]2CC[C@@H](NS(C)(=O)=O)CC2)cc(-c2cccnc2O)cc1C(C)(C)C ZINC000299845494 JH Annotated Anodyne CCCCCC[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@H]1CC=CN1C(=O)c1ccccc1O ZINC000299845662 JH Annotated Anodyne CCCCCC[C@H](CCCCC[C@H](O)C(N)=O)OC(=O)[C@H]1CC=CN1C(=O)c1ccccc1O ZINC000299845663 JH Annotated Anodyne COc1c(CN[C@@H]2CC[C@@H](NS(C)(=O)=O)CC2)cc(-c2cccnc2O)cc1C(C)(C)C ZINC000299845718 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000299846378 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000299846379 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(F)cc3)CC(=O)[C@@H](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000299846397 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(F)cc3)CC(=O)[C@H](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000299846399 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3cccc(F)c3)CC(=O)[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000299846633 JH Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3cccc(F)c3)CC(=O)[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000299846635 JH Annotated Anodyne COC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@H](C(=O)OC)C(O)=C2[C@H]1c1ccccn1 ZINC000299846737 JH Annotated Anodyne COC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@@H](C(=O)OC)C(O)=C2[C@H]1c1ccccn1 ZINC000299846738 JH Annotated Anodyne C=CCN1C[C@H]2[C@H]3CN(C)[C@H]4C[C@@]3(C(=O)Cc3ccccc3)[C@H]1C[C@@]24C(=O)Cc1ccccc1 ZINC000299846955 JH Annotated Mild CC(=O)O[C@@H]1[C@H](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]3CC(=O)OC3=O)[C@]12C ZINC000299847317 JH Annotated Reactive CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CC(=O)OC3=O)[C@]12C ZINC000299847425 JH Annotated Reactive CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@@H](c3ccccc3)N(C(C)=O)[C@@H](c3ccccc3)C2)S1 ZINC000299847658 JH Annotated Anodyne CCOC(=O)C/C=C(\C=O)[C@@H]1[C@@H](O)C(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299848967 JH Annotated Reactive Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)N(C)C)c2ccccc12 ZINC000299849249 JH Annotated Clean C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@@]5(C)[C@H]3CC[C@]21C ZINC000299849662 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000299849665 JH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@@]5(C)[C@H]3CC[C@@]21C ZINC000299849667 JH Annotated Mild NS(=O)(=O)c1ccc(N=Nc2c(CSc3ccccn3)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000299849668 JH Annotated Clean C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]21C ZINC000299849672 JH Annotated Mild CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](C/C=C(C)/C=C/[C@H]2OC(C)(C)C[C@@]3(CO3)[C@@H]2O)CC1 ZINC000299849763 JH Annotated Anodyne Nc1nccc(-c2cn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(Br)cc23)n1 ZINC000299850579 JH Annotated Bother COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]23 ZINC000299851399 JH Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3cc(Br)ccc32)cc1 ZINC000299851767 JH Annotated Anodyne O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C=C/c3ccc(F)cc3)(CC1)CO2 ZINC000299851811 JH Annotated Anodyne O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]23 ZINC000299851828 JH Annotated Anodyne O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C=C/c3ccccc3)(CC1)CO2 ZINC000299852332 JH Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)[C@H]4CCCS(=O)(=O)C4)c3)n[nH]c2C1 ZINC000299852640 JH Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)[C@@H]4CCCS(=O)(=O)C4)c3)n[nH]c2C1 ZINC000299852641 JH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO ZINC000299852645 JH Annotated Anodyne O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C=C/c3cc(F)ccc3F)(CC1)CO2 ZINC000299852744 JH Annotated Anodyne O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C=C/c3c(F)cccc3F)(CC1)CO2 ZINC000299852781 JH Annotated Anodyne O=C1NC2(C(=O)N1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1-c1ccccc12 ZINC000299852798 JH Annotated Anodyne CS(=O)(=O)c1ccc(-c2c(Cn3c(=O)n(C4CC4)c4ccncc43)nc3cc(Cl)ccn23)cc1 ZINC000299852831 JH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1/C=C\CCO ZINC000299852909 JH Annotated Anodyne O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc(Br)cc1 ZINC000299852937 JH Annotated Anodyne COc1cccc(OC)c1-c1onc(C)c1NC(=O)NCc1ccc(OC2CCOCC2)nc1 ZINC000299852963 JH Annotated Anodyne Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H]([N+]6=CCCCC6)C5)c34)cnn2C)cc1 ZINC000299854192 JH Annotated Anodyne CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cccc(C(F)(F)F)c21 ZINC000299854717 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@H](CO)OC(=O)N2c2ccc(-c3ccc(C4(C#N)CC4)nc3)cc21 ZINC000299854805 JH Annotated Mild CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CO)OC(=O)N2c2ccc(-c3ccc(C4(C#N)CC4)nc3)cc21 ZINC000299854806 JH Annotated Mild CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CO)OC(=O)N2c2ccc(-c3ccc(C4(C#N)CC4)nc3)cc21 ZINC000299854807 JH Annotated Mild CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CO)OC(=O)N2c2ccc(-c3ccc(C4(C#N)CC4)nc3)cc21 ZINC000299854808 JH Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(C#N)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299855211 JH Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000299855222 JH 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)c2ccc([N+](=O)[O-])cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299856386 JH Annotated Mild COc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299856398 JH Annotated Bother O=c1c(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)coc2ccc(Br)cc12 ZINC000299856451 JH Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)[C@@]1(O)c3ccccc3C(=O)[C@@]21O ZINC000299856955 JH Annotated Mild COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]23 ZINC000299857076 JH Annotated Anodyne Nc1nc(N)c2c(n1)N[C@@H](c1sc(Cl)nc1Cl)CC(c1ccc3c(c1)OCO3)=N2 ZINC000299857852 JH Annotated Anodyne Nc1nc(N)c2c(n1)N[C@H](c1sc(Cl)nc1Cl)CC(c1ccc3c(c1)OCO3)=N2 ZINC000299857853 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299858005 JH Annotated Bother C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299858043 JH Annotated Clean CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(N(C)C)cc2o1)Cc1ccccc1N(C)C ZINC000299858855 JH Annotated Anodyne Cc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NCCCCO)nc(-c3cccnc3)n2)c1 ZINC000299859100 JH Annotated Mild COc1cccc(C(=O)N2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)c1 ZINC000299859567 JH Annotated Bother COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Nc2ccc3nc[nH]c3c2)C(C)C)ccc1OC ZINC000299859597 JH Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(S(=O)(=O)c2ccccc2)=CC(=O)C[C@H]1C ZINC000299860066 JH Annotated Mild O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6cc(Cl)cnc56)(CC3)OC4)nc2N1 ZINC000299860397 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1 ZINC000299860828 JH Annotated Anodyne COc1cc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2)cc(OC)c1OC ZINC000299861096 JH Annotated Anodyne COc1ccccc1C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299861146 JH Annotated Bother COc1ccc(/C=C/c2nc3cc(OC)c(OC)cc3c(=O)n2CCCN(C)C)cc1OC ZINC000299861156 JH Annotated Anodyne COc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299861741 JH Annotated Bother C=COC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(=O)OC)n3ccnc3n2)cc1 ZINC000299861762 JH Annotated Anodyne O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)Nc1ccc(F)cc1F ZINC000299862894 JH Annotated Anodyne O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Br)cc1 ZINC000299863224 JH Annotated Reactive O=C(c1cccc(F)c1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299863770 JH Annotated Bother COc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)C(=O)N3CCN(C)CC3)[nH]c2c1 ZINC000299863826 JH Annotated Anodyne CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(C(F)(F)F)ccc21 ZINC000299863845 JH Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000299864100 JH Annotated Anodyne CN(C)CCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 ZINC000299864439 JH Annotated Anodyne CCc1nc2onc(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299864481 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C(=O)C[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000299864910 JH Annotated Mild COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccccc5OC(C)=O)c(=O)n4n3)ccc2c1 ZINC000299865430 JH Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccccc5OC(C)=O)c(=O)n4n3)ccc2c1 ZINC000299865431 JH Annotated Anodyne COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccc(OC)cc1 ZINC000299866226 JH Annotated Anodyne COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccc(OC)cc1 ZINC000299866227 JH Annotated Anodyne CN(C)CCOCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 ZINC000299867755 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC(=O)N3Cc4ccccc4[C@@H](OCc4ccccc4)[C@@H]3C2)cc1 ZINC000299868198 JH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4c(F)cc(C(F)(F)F)cc24)C3=O)cn1 ZINC000299868502 JH Annotated Anodyne O=C[C@H](Cc1c[nH]cn1)NC[C@H]1C[C@@H]2CCCC[C@H]2CN1C(=O)c1ccc(Br)cc1 ZINC000299868824 JH Annotated Mild Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4ccc(C(F)(F)F)c(F)c24)C3=O)cn1 ZINC000299868886 JH Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)N1CCOCC1 ZINC000299869078 JH Annotated Anodyne 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@H]5[C@@H]76)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299869101 JH Annotated Mild COc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299869314 JH Annotated Bother COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](COCc3ccccc3)N2)cc1OC ZINC000299869545 JH Annotated Anodyne Cc1c(Nc2ccc(C#N)cc2Cl)ncnc1O[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 ZINC000299870047 JH Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(S(=O)(=O)Cc2ccccc2)=CC(=O)C[C@H]1C ZINC000299870118 JH Annotated Mild CO[C@@H]1C=C[C@H]2C=CN(S(=O)(=O)c3ccc(Cl)cc3OCC3CCN(C)CC3)[C@@H]2C1 ZINC000299870345 JH Annotated Anodyne CO[C@@H]1C=C[C@@H]2C=CN(S(=O)(=O)c3ccc(Cl)cc3OCC3CCN(C)CC3)[C@@H]2C1 ZINC000299870346 JH Annotated Anodyne O=c1c(/C=N/Nc2nc(N3CCOCC3)c3ccsc3n2)coc2ccc(Br)cc12 ZINC000299870549 JH Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CCC(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000299870746 JH Annotated Mild CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2ccc(C(F)(F)F)cc21 ZINC000299872033 JH Annotated Anodyne COc1ccc(NC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)c(OC)c1 ZINC000299872415 JH Annotated Anodyne COC(=O)c1ccccc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000299872439 JH Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299873604 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](C)O)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299873605 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000299873674 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000299873675 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000299873676 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299873878 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299873879 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299873880 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299873881 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299874021 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299874022 JH Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000299874178 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000299874179 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000299874206 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000299874207 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299874499 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299874500 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000299874603 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000299874604 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc2c(c1)OCO2 ZINC000299874605 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc2c(c1)OCO2 ZINC000299874606 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299874629 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299874705 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299874706 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299874707 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299874708 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299874912 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299874913 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000299874931 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000299875225 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000299875226 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000299875227 JH 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)CN(C)C(=O)c2ccccc2)C1 ZINC000299875228 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299875446 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299875447 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299875614 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299875615 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299875620 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299875621 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299875622 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299875623 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299875784 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299875804 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299875805 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299875806 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000299876240 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299876241 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299876242 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299876245 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299876246 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299876247 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299876248 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299876380 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299876381 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299876382 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299876600 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299876601 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299876602 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299876704 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000299876789 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000299876790 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876797 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299876887 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299876888 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876983 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876984 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876985 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299876986 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299877157 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299877158 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299877159 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299877160 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299877433 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299877434 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299877590 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000299877591 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299877592 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877711 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877712 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877713 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877714 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299877781 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299877782 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299877799 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299877800 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299877801 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299877802 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299877877 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299877878 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299877879 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878102 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878103 JH Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299878239 JH Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299878240 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299878265 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299878266 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299878286 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299878287 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299878288 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878365 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878366 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299878386 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299878387 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299878532 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299878533 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299878626 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299878627 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299878843 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299878844 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299878845 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000299879049 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000299879050 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299879075 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299879076 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299879077 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299879301 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299879302 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299879408 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299879409 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299879441 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299879442 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299879443 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299879444 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879449 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879450 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879507 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879508 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879509 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879510 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299879533 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299879534 JH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879546 JH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879547 JH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879548 JH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299879549 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299879566 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299879567 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299879568 JH Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000299879576 JH Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000299879577 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299879714 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299879715 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299879815 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299879816 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299880016 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299880017 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299880058 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299880059 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299880276 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299880277 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299880302 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299880303 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299880304 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000299880382 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(O)cc1 ZINC000299880383 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000299880384 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(O)cc1 ZINC000299880385 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299880386 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299880387 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299880405 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299880406 JH Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299880431 JH Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299880432 JH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299880437 JH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299880438 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000299880658 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000299880659 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880718 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880719 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880720 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C5=C(C)C(=O)C=C[C@]5(C)CC[C@H]43)[C@@H](C)C2)c1 ZINC000299880737 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C5=C(C)C(=O)C=C[C@]5(C)CC[C@H]43)[C@H](C)C2)c1 ZINC000299880738 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880799 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880800 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880819 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880820 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299880869 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299880870 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000299880871 JH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299881133 JH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299881134 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 ZINC000299881282 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000299881283 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299881292 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299881293 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299881466 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299881467 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299881468 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299881469 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299881908 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299881909 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299881918 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299881919 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299881920 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299882024 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299882025 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299882026 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299882027 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000299882075 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000299882076 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000299882077 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000299882078 JH Annotated Anodyne COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)[C@H](C)C2)c1 ZINC000299882155 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)[C@H](C)C2)c1 ZINC000299882156 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299882189 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299882190 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299882191 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299882192 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299882436 JH Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCO)ccc2c1 ZINC000299882542 JH Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCO)ccc2c1 ZINC000299882543 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000299882681 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299882682 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299882683 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299882772 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299882773 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000299882774 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299882775 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299882776 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299882878 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@@H](O)CC ZINC000299882879 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299882931 JH Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299882932 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883010 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883011 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299883031 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299883032 JH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299883033 JH Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299883130 JH Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299883131 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299883211 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299883212 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883270 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883271 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299883320 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299883321 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299883383 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299883384 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299883728 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299883729 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299883730 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299883829 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299883830 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299883894 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299883895 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299883896 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000299883999 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 ZINC000299884000 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299884067 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299884068 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000299884069 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299884227 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299884228 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299884229 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299884230 JH Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299884305 JH Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299884306 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299884392 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299884393 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299884758 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299884759 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299884817 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000299884818 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299884819 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299884881 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299884882 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299884883 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299884901 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299884902 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299885023 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299885024 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000299885407 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299885408 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299885409 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299885410 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000299885411 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299885412 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299885481 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299885482 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000299885508 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000299885509 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)[C@H](C)C2)c1 ZINC000299885648 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@@H]43)[C@H](C)C2)c1 ZINC000299885649 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@@H]43)[C@@H](C)C2)c1 ZINC000299885650 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)[C@@H](C)C2)c1 ZINC000299885651 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299885663 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299885664 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000299885798 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000299885799 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000299885922 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000299885923 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000299885924 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000299885925 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299885950 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299885951 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299885952 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299886111 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299886112 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299886113 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299886259 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299886260 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299886261 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299886317 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)CC ZINC000299886318 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299886319 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299886342 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299886343 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299886344 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)cc1 ZINC000299886345 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299886369 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299886370 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000299886371 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299886415 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299886416 JH Annotated Anodyne COCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299886711 JH Annotated Anodyne COCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299886712 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886729 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886730 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299886731 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299886749 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299886750 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299886751 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299886820 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299886821 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886838 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886839 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886840 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1 ZINC000299886841 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299886886 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299886887 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299886888 JH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299886938 JH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299886939 JH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299886940 JH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299886941 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299887206 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299887207 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299887208 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299887217 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299887218 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299887431 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299887443 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299887444 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299887463 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299887464 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000299887465 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299887466 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000299887469 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000299887470 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299887519 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299887520 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299887711 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299887712 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000299887713 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299887777 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299887778 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299887865 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299887866 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887929 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887930 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887931 JH Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887932 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887953 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887954 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887955 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299887956 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299888004 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299888005 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299888006 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000299888200 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000299888201 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000299888202 JH Annotated Anodyne CCOC(=O)c1sc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2c1C ZINC000003010497 JH Annotated Anodyne COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@H]2COc3ccccc3O2)cc1 ZINC000003039880 JH Annotated Anodyne COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@H]2COc3ccccc3O2)cc1 ZINC000003039882 JH Annotated Anodyne COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 ZINC000003039884 JH Annotated Anodyne COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 ZINC000003039886 JH Annotated Anodyne COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCC(=O)N3CCCC3)nc2c1 ZINC000003052169 JH Annotated Anodyne C=CCn1c(SCc2ccc(C)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000003052218 JH Annotated Mild COCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 ZINC000003059335 JH Annotated Anodyne O=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1Cc1cc(=O)n2ccccc2n1 ZINC000003059942 JH Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003222618 JH Annotated Anodyne aggregator CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003222619 JH Annotated Anodyne aggregator Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NS(=O)(=O)c1ccc(Br)cc1 ZINC000003231898 JH Annotated Mild Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000003281747 JH Annotated Bother aggregator CN1CCC(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)CC1 ZINC000003367932 JH Annotated Anodyne CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1)c1ccco1 ZINC000003413582 JH Annotated Anodyne CSc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000003442504 JH Annotated Anodyne C/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C/c1ccc(OC(F)F)c(OC)c1 ZINC000003452489 JH Annotated Mild CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)COC1(C)C ZINC000301054802 JH Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)COC1(C)C ZINC000301054803 JH Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)COC1(C)C ZINC000301054804 JH Annotated Anodyne CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]1(CO)[C@H](CC(=O)O)OC(C)(C)[C@@H]1CC(=O)O ZINC000030725203 JH Annotated Anodyne in-vitro CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2C2(C)OCCO2)[C@@H]2C[C@@H]3O[C@@]34CC3(CC[C@]4(C)[C@H]21)OCCO3 ZINC000030728890 JH Annotated Anodyne in-vitro COC(=O)[C@]12C(=O)[C@@H](C)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O ZINC000306146386 JH Annotated Mild COC(=O)[C@]12C(=O)[C@@H](C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O ZINC000306146387 JH Annotated Mild COC(=O)[C@]12C(=O)[C@H](C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O ZINC000306146388 JH Annotated Mild COC(=O)[C@]12C(=O)[C@H](C)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O ZINC000306146389 JH Annotated Mild C=CC(C)(C)c1[nH]cnc1/C=C1\NC(=O)[C@@H]2C[C@]3(C(C)(C)C=C)c4ccccc4N[C@H]3N2C1=O ZINC000306147420 JH Annotated Mild C=CC(C)(C)c1[nH]cnc1/C=C1\NC(=O)[C@@H]2C[C@]3(C(C)(C)C=C)c4ccccc4N[C@@H]3N2C1=O ZINC000306147421 JH Annotated Mild C=C1[C@@H](O)[C@H]2C=CC[C@@H](C)CCCC(=O)C=CC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000306147492 JH Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=CC(=O)CCC[C@H](C)CC=C[C@@H]3[C@H]1O ZINC000306147493 JH Annotated Mild C=C1[C@@H](O)[C@@H]2C=CC[C@@H](C)CCCC(=O)C=CC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000306147494 JH Annotated Mild C=C1[C@H](O)[C@@H]2C=CC[C@@H](C)CCCC(=O)C=CC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000306147495 JH 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]2OC(=O)[C@]3(C)CCC(=O)[C@@]1(C)[C@@H]23 ZINC000031162858 JH Annotated Anodyne CCCC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c2c1OC(C)(C)[C@H](O)C2 ZINC000031495580 JH Annotated Anodyne CCCC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c2c1OC(C)(C)[C@@H](O)C2 ZINC000031495582 JH Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)[C@H](O)C2 ZINC000031495584 JH Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)[C@@H](O)C2 ZINC000031495586 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](CC=C6C=CCC(=O)[C@@]65C)[C@]3(O)CC[C@@H]42)C1 ZINC000031500023 JH Annotated Anodyne CC(C)[C@@H](C)[C@H](O)[C@@H]1C[C@]23CC(=O)[C@]4(O)C(=C2CC[C@@H]3[C@@H]1C)C=C[C@]1(O)C[C@@H](O)CC[C@]41C ZINC000031516792 JH Annotated Anodyne CC(C)(CN1CCOCC1)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN2CCOCC2)cc1 ZINC000031817256 JH Annotated Mild O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@@H]([C@@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000031872469 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@@H]([C@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000031872472 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@H]([C@@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000031872475 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000031872488 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H]1C[C@@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000031872491 JH Annotated Anodyne CCOC(=O)C[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]2Cc3c([nH]c4ccccc34)[C@@]12C[N+](=O)[O-] ZINC000031896076 JH Annotated Bother CCOC(=O)C[C@H]1CCN(C(=O)c2ccccc2)[C@@H]2Cc3c([nH]c4ccccc34)[C@@]12C[N+](=O)[O-] ZINC000031896080 JH Annotated Bother CCOC(=O)C[C@H]1CCN(C(=O)c2ccccc2)[C@H]2Cc3c([nH]c4ccccc34)[C@]21C[N+](=O)[O-] ZINC000031896084 JH Annotated Bother C/C=C\[C@H](CC(=O)NCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21)CC(=O)OC ZINC000031898131 JH Annotated Anodyne CC(=O)c1c(SCCN2CCOCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000031901411 JH Annotated Anodyne CC1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000031904701 JH Annotated Anodyne CN1C[C@@H](S(=O)(=O)c2ccccc2)C[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000031905582 JH Annotated Anodyne CN1C[C@H](S(=O)(=O)c2ccccc2)C[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000031905583 JH Annotated Anodyne O=C1/C(=c2\s/c(=C\c3ccccc3)c(=O)n2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000031908771 JH Annotated Clean CCOC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000031909669 JH Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000031909672 JH Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000031909674 JH Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000031909677 JH Annotated Mild CC(C)[C@@H](C)[C@H](O)[C@@H]1C[C@]23CC(=O)[C@]4(O)C(=C2CC[C@@H]3[C@@H]1C)C=C[C@]1(O)CC(=O)CC[C@]41C ZINC000032038207 JH Annotated Anodyne CCOC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000032139435 JH Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)c2ccc(Br)cc2)[C@H]3C1)OCO5 ZINC000032222368 JH Annotated Anodyne CCOc1cc(/C=N\NC2=NC(=O)[C@@H](CC(=O)O)S2)ccc1OCc1ccc(Cl)cc1 ZINC000033248629 JH Annotated Mild CCOc1cc(/C=N\NC2=NC(=O)[C@H](CC(=O)O)S2)ccc1OCc1ccc(Cl)cc1 ZINC000033248630 JH Annotated Mild CO[C@@H](C(=O)n1cc2c(c1)/C(=N\C(=O)c1ccc(N3CCN(C)CC3)cc1)N=N2)c1ccccc1 ZINC000033295967 JH Annotated Mild O=C(N/N=C\c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1cncc(Br)c1 ZINC000033326702 JH Annotated Reactive COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)[nH]c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000033363648 JH Annotated Anodyne COc1cccc(/C=N\n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)c1OC ZINC000033365176 JH Annotated Mild O=C1CCC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)O1 ZINC000033380089 JH Annotated Anodyne COc1ccc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1OCc1ccc(Cl)cc1Cl ZINC000033430884 JH Annotated Mild COc1ccc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1OCc1ccc(Cl)cc1Cl ZINC000033430887 JH Annotated Mild NC(=S)N/N=C(/CCN1CCCC1)C[C@@H](C1=C(O)C2=CCCC[C@H]2OC1=O)c1ccccc1 ZINC000033493296 JH Annotated Mild NC(=S)N/N=C(/CCN1CCCC1)C[C@H](C1=C(O)C2=CCCC[C@H]2OC1=O)c1ccccc1 ZINC000033493298 JH Annotated Mild O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000033616193 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000033616194 JH Annotated Anodyne C=CCOC(=O)NCCSc1nc2ccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2s1 ZINC000033619753 JH Annotated Mild CC(C)(C)[C@H]1COC(=O)CCCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000033705472 JH Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CCCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000033705474 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)N[C@H]4CCCC[C@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000033712393 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)N[C@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000033712395 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000033712397 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)cc1 ZINC000033712399 JH Annotated Anodyne COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccc4)CC3)c12 ZINC000033819757 JH Annotated Reactive in-vivo CC(=O)c1ccc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)s1 ZINC000033820019 JH Annotated Anodyne CC/C=C\C/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C\[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000033820515 JH Annotated Mild CC/C=C\C/C=C\C[C@@]1(O)C=C(Cl)C(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O ZINC000033820518 JH Annotated Mild C=C1[C@@H](O)CC[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 ZINC000033831873 JH 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(C)=O)C2(C)C ZINC000033834039 JH Annotated Mild CC(=O)[C@H]1CC[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 ZINC000033834042 JH Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]2(C)C2=CC[C@@H](C3=CCNC3=O)[C@@]21C ZINC000033834130 JH Annotated Anodyne COC(=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(O)O3)C(C)=CC[C@@H]2C(C)C ZINC000033834547 JH Annotated Anodyne CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000033836603 JH Annotated Anodyne O=C(Nc1ccccc1O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000033855619 JH Annotated Anodyne N=C(N/N=C\c1cccc([N+](=O)[O-])c1)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000033906699 JH Annotated Mild O=[N+]([O-])c1cc2c(cc1/C=N\Nc1nc(Nc3ccccc3)nc(Nc3ccccc3)n1)OCO2 ZINC000033909380 JH Annotated Mild CC1=C2CC(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@]1(CO)[C@H](CC(=O)O)C(C)(C)O[C@@H]1CC(=O)O ZINC000033913802 JH Annotated Anodyne in-vitro CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@]1(CO)[C@H](CC(=O)O)C(C)(C)O[C@@H]1CC(=O)O ZINC000033913803 JH Annotated Anodyne in-vitro CC1=C2CC(=O)O[C@H](c3ccoc3)[C@@]2(C)CC[C@@H]1[C@]1(CO)[C@H](CC(=O)O)C(C)(C)O[C@@H]1CC(=O)O ZINC000033913804 JH Annotated Anodyne in-vitro CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@@]2(C)CC[C@@H]1[C@]1(CO)[C@H](CC(=O)O)C(C)(C)O[C@@H]1CC(=O)O ZINC000033913805 JH Annotated Anodyne in-vitro O=[N+]([O-])c1ccc2c(c1)-n1c(c3cccc[n+]3c1N1CCCC1)-c1c3cccc[n+]3c(N3CCCC3)n1-2 ZINC000033917303 JH Annotated Bother CCOc1ccc(N/C(=C(C(/Cl)=C(/Cl)NCCO)\[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000033917310 JH Annotated Anodyne CCOc1ccc(N/C(=C(C(/Cl)=C(/Cl)NCCN)\[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000033917311 JH Annotated Anodyne S=c1[nH]c(S)nc2n[nH]c(Cc3nn4c(COc5ccc(Cl)cc5)nnc4s3)c12 ZINC000033917586 JH Annotated Anodyne CO[C@H]1/C=C\C=C/C=C\C[C@H](O)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000033954176 JH Annotated Anodyne in-vitro CC(C)=CCC/C(=C/CC[C@@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@H](O)[C@H]2[C@H]1CC[C@]2(C)O)C(=O)O ZINC000034037386 JH Annotated Mild COc1ccc2c(c1)C1(CCNCC1)C(=O)N2Cc1cc2cnc(C#N)nc2n1CC(C)(C)C ZINC000034073861 JH Annotated Mild COC(=O)CCC/C=C(/c1cc(C)c2on(C)c(=O)c2c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000034086798 JH Annotated Anodyne O=C1CCCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)CO1 ZINC000034128760 JH Annotated Anodyne O=C1CCCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)CO1 ZINC000034128762 JH Annotated Anodyne O=C1CCCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)O1 ZINC000034129086 JH Annotated Anodyne CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3CC[C@@H]12 ZINC000034148577 JH Annotated Mild O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CNC(=O)CNC(=O)CCCC1CCCCC1 ZINC000034156809 JH Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@H](C/C=C(\C)C(=O)OC)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000034209112 JH Annotated Mild CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000034209365 JH Annotated Mild CC(=O)[C@@H](C)C[C@@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000034209368 JH Annotated Mild C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)C[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]23)[C@@](C)(OC(C)=O)CCC1=O ZINC000034210004 JH Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000034267917 JH Annotated Anodyne COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O ZINC000034388165 JH Annotated Clean Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(C#N)cc1OC(F)(F)F)CC2 ZINC000034443270 JH Annotated Mild C=C(CC[C@@H](C)[C@H]1CC(=O)C2=C3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO ZINC000034509618 JH Annotated Mild CC(=O)O[C@@]1(C)CC(=O)[C@H]2[C@H]([C@H](C(C)C)CC[C@]2(C)OC(C)=O)[C@@H]2O[C@H]1CC[C@]2(C)OC(C)=O ZINC000034515400 JH Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCOCC2)n3CC(F)(F)F)CC1 ZINC000034597984 JH Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3SC(C)C)CC2)c(F)c1 ZINC000034607912 JH Annotated Anodyne CC1=C[C@@H]([C@H]2Oc3cc4c(c5c3[C@H](CC5)[C@@H]2C)CC[C@H]2C(C)(C)O[C@@H]3CC(=O)O[C@]23C4)OC1=O ZINC000034637352 JH Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1 ZINC000034638533 JH Annotated Anodyne Cc1sc(N2CCOCC2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1 ZINC000034717787 JH Annotated Anodyne CN1C(=O)[C@@H]2CN(c3ccc(F)cc3)C[C@]2(c2ccc(-c3ccc(F)c(C#N)c3)s2)N=C1N ZINC000034787409 JH Annotated Mild CN1C(=O)[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N ZINC000034787699 JH Annotated Mild Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)c1 ZINC000034790974 JH Annotated Anodyne CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]2N(C)C1 ZINC000034800956 JH Annotated Anodyne CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]2N(C)C1 ZINC000034800960 JH Annotated Anodyne C[N+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000034802213 JH Annotated Mild CC(=O)O[C@@H]1CC[C@](C)(OC(C)=O)[C@H]2O[C@@H](C[C@@]1(C)O)[C@H]1[C@@H]2[C@H](C(C)C)CC[C@]1(C)OC(C)=O ZINC000034803254 JH Annotated Anodyne NCCCC[C@H](NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12)C(=O)O ZINC000034820228 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1 ZINC000034827066 JH Annotated Anodyne CC1(C)[C@H](Cl)C[C@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@@]21N3c1cc(Br)ccc14 ZINC000034827263 JH Annotated Reactive CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000034847003 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000034847004 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000034847005 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000034847006 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000034847416 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000034847418 JH Annotated Anodyne COc1ccccc1C/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2c1=O ZINC000034855128 JH Annotated Mild CCc1ccccc1/N=C(\O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000034858062 JH Annotated Anodyne COc1cc2c(/C(O)=N/CCCN3CCCC3=O)c3n(c(=O)c2cc1OC)CCc1ccccc1-3 ZINC000034858124 JH Annotated Mild Cc1cccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)c1 ZINC000034858418 JH Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1)N1CCCC1 ZINC000034859921 JH Annotated Anodyne CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O)C1CCCCC1 ZINC000034860604 JH Annotated Anodyne CC(C)(C)C(=O)CSc1nc2cc(C(=O)N3CCOCC3)ccc2c(=O)n1CCc1ccccc1 ZINC000034860860 JH Annotated Anodyne O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 ZINC000034873007 JH Annotated Anodyne CO[C@@]1(C(F)(F)F)[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000034874867 JH Annotated Anodyne Cc1noc(C(CCCc2ccccc2)(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(C)no2)n1 ZINC000034886718 JH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)c2ccccc2N(S(=O)(=O)C(F)(F)F)[C@@H]1C(=O)OCC ZINC000034960944 JH Annotated Anodyne CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@@H](C)CN1CCN(c2nccs2)CC1 ZINC000034987758 JH Annotated Anodyne CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(c2nccs2)CC1 ZINC000034987759 JH Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC ZINC000003592414 JH Annotated Reactive CC(=O)N(c1ccc(C(N)=O)cc1)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000003615027 JH Annotated Anodyne CC(=O)N(c1ccc(C(N)=O)cc1)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000003615030 JH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)NCc3ccco3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621624 JH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)NCc3ccco3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621627 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccco3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621629 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)NCc3ccco3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621632 JH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)on3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622088 JH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)on3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622091 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622094 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622097 JH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630493 JH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630496 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630498 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630500 JH Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000003648360 JH Annotated Bother COc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1Cl ZINC000003654977 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000003658530 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000003658545 JH Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000003658581 JH Annotated Anodyne CCOc1ccc(N(CC)S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1 ZINC000003662162 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000003683011 JH Annotated Anodyne COC(=O)N(CC(=O)O)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000003791664 JH Annotated Anodyne CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1cccc(OC(=O)NC)c1 ZINC000003792620 JH Annotated Bother COc1cc(CCN(C)CCCNC(=O)C/C=C/c2ccc(-n3ccnc3)cc2)cc(OC)c1 ZINC000003794648 JH Annotated Anodyne investigational C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccc(F)cc5)CC4)c(c32)S1 ZINC000003801949 JH Annotated Anodyne C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000003808250 JH Annotated Anodyne NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(CC(=O)O)c1 ZINC000003811960 JH Annotated Anodyne NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(OCC(=O)O)c1 ZINC000003811965 JH Annotated Anodyne COc1ccc2c(O)c([C@H](c3cccc(NS(=O)(=O)c4cn(C)cn4)c3)C3CC3)c(=O)oc2c1 ZINC000003815633 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c2ccccc12 ZINC000003816875 JH Annotated Anodyne COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Br)cc3Cl)c(C)nn12 ZINC000003817156 JH Annotated Anodyne COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 ZINC000003817500 JH Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4cccs4)CC3)c(F)c2)C(=O)O1 ZINC000003818208 JH Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(Br)cc3)SC(=O)NC2=O)cc1 ZINC000003822880 JH Annotated Mild COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3C ZINC000003872397 JH Annotated Anodyne CN1CCC[C@H]1CN(/N=C/c1cc(-c2cncn2C)nc2cc(Cl)c(CCC#N)cc12)C(N)=S ZINC000003943581 JH Annotated Mild in-vivo O=C(O)C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000003948005 JH Annotated Anodyne N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)Oc4ccc(F)cc4)N3C2=O)cc1C(F)(F)F ZINC000003948650 JH Annotated Mild O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000003948656 JH Annotated Bother CS(=O)(=O)c1ccc(-c2cc(/C(CCCO[N+](=O)[O-])=N\O)nn2C2CCCCC2)cc1 ZINC000003948745 JH Annotated Mild CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(=O)NCc1ccco1 ZINC000003959232 JH Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCO2 ZINC000003962019 JH Annotated Anodyne O=[N+]([O-])c1c(Nc2ccc(-n3cncn3)cc2)ncnc1N1CCC(Sc2ccccn2)CC1 ZINC000003962519 JH Annotated Bother CN1CC[C@@H](c2cn(S(=O)(=O)c3ccc(I)cc3)c3ccccc23)C1 ZINC000003976216 JH Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)C#Cc4ccccc4)ccc3CC[C@H]2O)cc1 ZINC000003981123 JH Annotated Mild CCC[C@H](O)C[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 ZINC000003982126 JH Annotated Anodyne in-vitro C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O ZINC000003986851 JH Annotated Anodyne Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(OC(CF)CF)c2)n1 ZINC000035000162 JH Annotated Anodyne COc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@@]4(C)OC(C)(C)[C@@H]5C[C@@H]54)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000035049116 JH Annotated Anodyne COc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@@]4(C)OC(C)(C)[C@H]5C[C@H]54)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000035049117 JH Annotated Anodyne Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(C#N)cc1 ZINC000035049825 JH Annotated Mild COC(=O)C1=C(C)[C@]2(C)C[C@@H]3[C@](C)(CC[C@H]4C(C)(C)OC(=O)C[C@@H](O)[C@]34C)OC2=C(C)C1=O ZINC000035051092 JH Annotated Mild O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2nsnc2c1)N1CCCCC1 ZINC000035065156 JH Annotated Anodyne COc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@]4(C)CCC(C)(C)[C@H](O)O4)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000035066198 JH Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O)C=C(Cl)C(=O)[C@](Cl)([C@H]1O)[C@H]2OC ZINC000035066233 JH Annotated Mild C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)C[C@@H](C)O1 ZINC000035078079 JH Annotated Mild COc1cc2c(c(OC)c1OC)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000035079973 JH Annotated Clean COc1ccc2c(c1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCBr)C2=O ZINC000035079983 JH Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O ZINC000035079984 JH Annotated Clean COc1cc2c(cc1OC)[C@@H]1[C@H](C2=O)c2ccc([N+](=O)[O-])cc2C(=O)N1CCCBr ZINC000035079990 JH Annotated Reactive CC(C)S(=O)(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 ZINC000035087218 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000035201778 JH Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000035201780 JH Annotated Anodyne O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)c(CN2CCOCC2)cc1O ZINC000035242435 JH 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)cc1 ZINC000035259604 JH Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCn1ccs/c1=N\C(=O)c1cc(F)c(NC(=O)CC(C)(C)C)c(F)c1 ZINC000035307965 JH Annotated Anodyne C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)n2)C[C@@H](C)N1 ZINC000035308521 JH Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000035394266 JH Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000035394267 JH Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000035834730 JH Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(C)(=O)=O)CC1 ZINC000035850673 JH Annotated Anodyne CCOC(=O)[C@@]1(C)Oc2ccc(NC(=O)C3CCN(c4cc(F)c(F)c(F)c4)CC3)cc2NC1=O ZINC000035850829 JH Annotated Anodyne CCOC(=O)[C@]1(C)Oc2ccc(NC(=O)C3CCN(c4cc(F)c(F)c(F)c4)CC3)cc2NC1=O ZINC000035850830 JH Annotated Anodyne COc1ccc2ncc(Cl)c(CCN3CC[C@@H](CNCc4cc5c(cn4)OCS5)C3)c2n1 ZINC000035902988 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@@H](CNCc4cc(C)c5c(c4)OCCO5)C3)c2n1 ZINC000035921625 JH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1 ZINC000035922078 JH Annotated Anodyne CCn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1 ZINC000035952588 JH Annotated Anodyne CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000036056664 JH Annotated Mild CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066341 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066343 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@H]24)cc1C ZINC000036066349 JH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@H]24)cc1C ZINC000036066350 JH Annotated Anodyne Cn1c(=O)nc(NC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc21 ZINC000036126657 JH Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2I)c(C)c1 ZINC000036152470 JH Annotated Anodyne CCN(CCC#N)C(=S)N(C[C@@H]1CCOC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1 ZINC000036184792 JH Annotated Mild CCN(CCC#N)C(=S)N(C[C@H]1CCOC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1 ZINC000036184793 JH Annotated Mild O=c1ccn(C[C@H](CCO)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 ZINC000036185096 JH Annotated Anodyne O=c1ccn(C[C@@H](CCO)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 ZINC000036185098 JH Annotated Anodyne CCCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000036221552 JH Annotated Anodyne O=C(O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCO2 ZINC000036269270 JH Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCO2 ZINC000036269273 JH Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(/C(N)=N/O)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000036286258 JH Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(/C(N)=N/O)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000036286262 JH Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(c2nnn[nH]2)(C4)C3)C[C@H]1COc1ccc(C(F)(F)F)cn1 ZINC000036286266 JH Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(c2nnn[nH]2)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1 ZINC000036286269 JH Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC[C@H](NC(=O)C(C)C)[C@@]4(C)CO)C[C@H]3C(=O)C[C@]12C ZINC000036287166 JH Annotated Anodyne COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c2)cc(OC)c1OC ZINC000036331920 JH Annotated Anodyne CNC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1 ZINC000036348707 JH Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](N)C2)C1 ZINC000036351578 JH Annotated Anodyne CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(C5=CC[C@H]6OCCO[C@@H]6C5)ccc4c3=O)cn2)C1 ZINC000036351609 JH Annotated Anodyne CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(C5=CC[C@H]6OCCO[C@@H]6C5)ccc4c3=O)cn2)C1 ZINC000036351610 JH Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N(C)C)C4)C3)s2)cc1 ZINC000036351776 JH Annotated Anodyne CC(=O)N1Cc2ccccc2C[C@@]2(N=C(c3ccc(OCCCO)cc3)O[C@H]2c2ccccc2)C1=O ZINC000036375485 JH Annotated Anodyne CC(=O)N1Cc2ccccc2C[C@]2(N=C(c3ccc(OCCCO)cc3)O[C@@H]2c2ccccc2)C1=O ZINC000036375526 JH Annotated Anodyne COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375712 JH Annotated Anodyne COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375759 JH Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@H](c2ccccc2)N/C1=N\Cc1cc(OC)c(OC)c(OC)c1 ZINC000036379141 JH Annotated Mild CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(F)c2)N/C1=N\Cc1cc(OC)c(OC)c(OC)c1 ZINC000036379165 JH Annotated Mild CC(C)OC(=O)[C@H](C)NC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000036379261 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1 ZINC000036381374 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036381533 JH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000036381644 JH Annotated Bother CCOC(=O)C1(C(=O)OCC)CC2=CC=C3CC(C(=O)OCC)(C(=O)OCC)CC3=CC=C2C1 ZINC000036381763 JH Annotated Anodyne C[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382386 JH Annotated Anodyne C[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382387 JH Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(OC)cc2)C1=O ZINC000036382408 JH Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(OC)cc2)C1=O ZINC000036382409 JH Annotated Anodyne O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCOCC3)c2N1Cc1ccc(Br)cc1 ZINC000036382436 JH Annotated Anodyne O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCOCC3)c2N1Cc1ccc(Br)cc1 ZINC000036382437 JH Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000036382448 JH Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000036382449 JH Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCN(c5ccccn5)CC4)c32)cc1 ZINC000036382462 JH Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCN(c5ccccn5)CC4)c32)cc1 ZINC000036382463 JH Annotated Anodyne COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)[C@H]3C2=O)cc1OC ZINC000036382950 JH Annotated Anodyne CCOC(=O)/C=C1\CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(C(F)(F)F)cc21 ZINC000036383183 JH Annotated Anodyne NC(=O)CCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000036383496 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(OC)c3OC)[C@H](C)C(=O)[C@@H]2C)c(OC)c1OC ZINC000036383623 JH Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000036384293 JH Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC4CC4)c2C3=O)cc1OC ZINC000036384300 JH Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000036384316 JH Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000036384330 JH Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036384338 JH Annotated Anodyne CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000036384374 JH Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386428 JH Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3cccc(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386438 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N[C@@]2(C)C(=O)OC ZINC000036386439 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N[C@@]2(CC(C)C)C(=O)OC ZINC000036386445 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)N[C@@]2(CC(C)C)C(=O)OC ZINC000036386447 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC ZINC000036386449 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)N[C@@]2(C)C(=O)OC ZINC000036386450 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC ZINC000036386451 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC ZINC000036386459 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(SC3CCCCC3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386469 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(C(C)=O)cc3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000036386475 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(SC3CCCCC3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386479 JH Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386482 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386494 JH Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4cccc(Cl)c4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386503 JH Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386516 JH Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(SC4CCCCC4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386518 JH Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cccc(Cl)c3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386528 JH Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)c(OC)c3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386529 JH Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(SC3CCCCC3)c(OC)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386539 JH Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386540 JH Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386541 JH Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386553 JH Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386554 JH Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386555 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(Br)ccc3NC(=O)[C@@]12C ZINC000036387207 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387227 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]12C ZINC000036387230 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387239 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C ZINC000036387240 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]12C ZINC000036387241 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]12C ZINC000036387242 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000036387244 JH Annotated Anodyne NC(=O)c1ccc(Cn2c(C(=O)c3cc(Cl)c(N)c(Cl)c3)c3ccccc3[n+]2[O-])cc1 ZINC000036387408 JH Annotated Anodyne CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@@H]1N2S(=O)(=O)c1ccc(C)cc1 ZINC000036387601 JH Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2cccc(C)c2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC ZINC000036387620 JH Annotated Anodyne CCOC(=O)C1=CC[C@H]2c3c(c4ccc(OC)cc4n3C)C(=O)[C@@H]1N2S(=O)(=O)c1ccc(C)cc1 ZINC000036387623 JH Annotated Anodyne CC(C)(C)c1ccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)cc1 ZINC000036388021 JH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2[nH]cnc2C(=O)N2CCc3ccccc3C2)cc1 ZINC000036388156 JH Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036388477 JH Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000036388528 JH Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036388531 JH Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccccc1 ZINC000036388538 JH Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036388556 JH Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036388567 JH Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000036388601 JH Annotated Mild COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000036388602 JH Annotated Mild CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(Cc3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000036389023 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000036389030 JH Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(Cc3ccco3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389055 JH Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2CO)cc(Br)c1OC ZINC000036412279 JH Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2CO)cc(Br)c1OC ZINC000036412280 JH Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)n3c(C4(O)C=CC(=O)C=C4)cc4ccccc43)cccc12 ZINC000036412419 JH Annotated Mild CS[C@@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@]2(SC)C(=O)N1C ZINC000036412727 JH Annotated Anodyne CS[C@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@]2(SC)C(=O)N1C ZINC000036412728 JH Annotated Anodyne C[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@@]3(C)C=CC(C)(C)[C@@H](O)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O ZINC000036413715 JH Annotated Anodyne C[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@@]3(C)/C=C/C(C)(C)[C@@H](O)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O ZINC000036413716 JH Annotated Anodyne COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)[C@H](OC(C)=O)[C@@H]3COC[C@H]32)cc(OC)c1OC ZINC000036413916 JH Annotated Anodyne Cc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000036415461 JH Annotated Anodyne COC(=O)CNC(=O)CCC/C=C\NC(=O)c1ccc(Cc2ccc(Br)cc2)cc1 ZINC000036435571 JH Annotated Anodyne O=C1C(=Cc2ccc([N+](=O)[O-])s2)C(=O)N(C2CCCCC2)S(=O)(=O)N1C1CCCCC1 ZINC000036446004 JH Annotated Bother C/C=C/CC[C@@H]1C/C=C(\C)[C@@H](O)C(C)(C)C(=O)[C@@H](C)/C=C(\C)[C@@H]2C[C@H](O)C[C@](O)(CC(=O)O1)O2 ZINC000036465589 JH Annotated Anodyne COC(=O)c1cc(/C(=C\CCN2CCOC2=O)c2cc(C)c3on(C)c(=O)c3c2)cc(C)c1OC ZINC000036476124 JH Annotated Anodyne Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CNC(=O)CO ZINC000036480006 JH Annotated Anodyne Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000036480007 JH Annotated Anodyne Cn1c2ccccc2c(=Nc2ccc(NS(=O)(=O)CCCCNC(=N)N)cc2)c2ccccc21 ZINC000377472659 JH Annotated Bother N#Cc1c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377797384 JH Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCC5CC5)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377819921 JH Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(OCc3ccc(Cl)cc3)ccc21 ZINC000377830145 JH Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCc3ccc(Cl)cc3)ccc21 ZINC000377845199 JH Annotated Anodyne CC[S@@](O)(=NC)=C1C=CC(=Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)C=C1 ZINC000377848451 JH Annotated Mild CC[S@](O)(=NC)=C1C=CC(=Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)C=C1 ZINC000377848452 JH Annotated Mild COC(=O)C1=Cc2cc(OC)c(OC)cc2-c2c(cc(OC)c(OC)c2OC)C=C1C(=O)OC ZINC000377848796 JH Annotated Anodyne Cn1cccc2ccc(=NC(=O)Cc3ccc(CC(=O)Nc4ccc5c(ccc[n+]5C)c4)cc3)cc1-2 ZINC000377848848 JH Annotated Anodyne COC(=O)c1c2ccn(CCOCCNC(=O)N(C)N=O)cc2c(C)c2c1nc1ccccc12 ZINC000377853454 JH Annotated Reactive C[C@@H](NC(=O)Cc1c(Cl)ccc(=NCC(F)(F)c2cccc[n+]2O)n1O)c1cccc(Cl)c1 ZINC000377853488 JH Annotated Anodyne CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C ZINC000038140028 JH Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C ZINC000038140034 JH Annotated Mild O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(OCCN3CCOCC3)cc1C2)c1ccc(Cl)s1 ZINC000038140952 JH Annotated Anodyne O=C(CN1CCCC1)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000038140980 JH Annotated Anodyne CC(=O)O[C@@H]1[C@H](CCl)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000038142686 JH Annotated Reactive CCN1C(C)=CS/C1=C\C=c1/s/c(=C/c2sc3ccccc3[n+]2CC)n(CC)c1=O ZINC000038146369 JH Annotated Anodyne CCN1CCS/C1=C\C=c1/s/c(=C/c2sc3c4ccccc4ccc3[n+]2C)n(CC)c1=O ZINC000038146402 JH Annotated Anodyne O=C(Nc1cccc(F)c1)c1cc2n(n1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O ZINC000038149867 JH Annotated Anodyne CCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000038152111 JH Annotated Mild CCCCCCCCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000038152119 JH Annotated Mild N#C[C@H](C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 ZINC000038152820 JH Annotated Reactive FC(F)(F)c1cccc(N2CCN(C3CCN(c4ccc(-c5ncns5)nn4)CC3)CC2)c1 ZINC000038153797 JH Annotated Anodyne COC(=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(O)O3)C(C)=CC[C@@H]2C(C)C ZINC000038154017 JH Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@@H]2CCCCN2)CC1 ZINC000038167546 JH Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@H]2CCCCN2)CC1 ZINC000038167547 JH Annotated Anodyne C/C(=N/OCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000038172173 JH Annotated Mild CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CCN2CCCC2)cn1 ZINC000038270001 JH Annotated Anodyne CCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)OCCCC)cc(O)c(O)c1O ZINC000038290314 JH Annotated Clean CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=CCOC3=O)[C@]12C ZINC000038290557 JH Annotated Anodyne C=C1[C@H](OC(C)=O)CC[C@H](C)C[C@H](OC(C)=O)C2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](O)[C@@H]2OC(C)=O ZINC000038335803 JH Annotated Mild C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C ZINC000038336010 JH Annotated Anodyne COc1ccc(N/C(=N\C#N)N[C@H](NC(=O)c2ccc(Cl)cc2)C(C)(Cl)Cl)c(OC)n1 ZINC000038336300 JH Annotated Mild COc1ccc(N/C(=N\C#N)N[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)(Cl)Cl)c(OC)n1 ZINC000038336301 JH Annotated Mild CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 ZINC000038336491 JH Annotated Anodyne C=C1C[C@@]2(O)O[C@H]([C@@H]3[C@@H](C(C)C)CC[C@@](C)(OC(=O)CCC)[C@@H]32)[C@](C)(O)CC[C@@H]1OC(C)=O ZINC000038347973 JH Annotated Mild CCCOc1ccc2nc(-c3ccc(OCCOC)c(OC)c3)c(I)n2n1 ZINC000038348315 JH Annotated Anodyne Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000038360301 JH Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc3ccccc3n2)S1 ZINC000038380608 JH Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc3ccccc3n2)S1 ZINC000038380609 JH Annotated Mild CC(C)c1ccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2N)cc1 ZINC000038429528 JH Annotated Anodyne CC(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6[C@H]2OC2(C)C)[C@H]13 ZINC000038429822 JH Annotated Anodyne C[C@@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000038433168 JH Annotated Anodyne O=C(O)CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000038460926 JH Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H](C)CC(=O)[C@]23[C@H](C[C@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000038515538 JH Annotated Anodyne N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000038576259 JH Annotated Anodyne C[C@@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@@]3(C)C=CC(C)(C)[C@@H](O)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O ZINC000038660831 JH Annotated Anodyne C[C@@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@@]3(C)/C=C/C(C)(C)[C@@H](O)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O ZINC000038660832 JH Annotated Anodyne O=C1CSc2ccc(CNC3CCN(CCc4c(F)cnc5ccc(F)cc45)CC3)nc2N1 ZINC000038665622 JH Annotated Anodyne CO[C@@H]1C[C@H](C(=O)Nc2cccc3ccc(C)nc23)CC[C@H]1NCc1cc2c(cn1)OCCO2 ZINC000038734583 JH Annotated Anodyne CC[C@]12CCCN3C[C@@H](Br)[C@@]4(c5ccccc5N[C@H]4[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000038801312 JH Annotated Reactive C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6C=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000038801883 JH Annotated Anodyne COC(=O)N/N=C(\C)[C@@H](CN1CCOCC1)[C@H](c1ccccc1)c1cc2ccccc2oc1=O ZINC000038807367 JH Annotated Reactive COC(=O)N/N=C(\C)[C@H](CN1CCOCC1)[C@H](c1ccccc1)c1cc2ccccc2oc1=O ZINC000038807368 JH Annotated Reactive C/C(=N\NC(=N)N)c1ccc(NC(=O)Nc2ccc(Nc3cc[n+](C)c4ccc(N)cc34)cc2)cc1 ZINC000038811368 JH Annotated Mild O=c1oc2cc(O)c(O)cc2c2c(-c3ccc(O)c(O)c3)cn(CCc3ccc(O)c(O)c3)c12 ZINC000038909826 JH Annotated Clean Cc1cc(C)cc(Sc2c(CN3CCOCC3)c(C)[nH]c(=O)c2I)c1 ZINC000038910760 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(CC2CCC(CN3CCC[C@H](C(=O)N(CC)CC)C3)CC2)C1 ZINC000038911428 JH Annotated Anodyne COc1c(OC)c(O)c2c(=O)c(C)c(/C=C/c3cc(OC(C)=O)cc(OC(C)=O)c3)oc2c1OC ZINC000038912050 JH Annotated Anodyne Fc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000038945661 JH Annotated Anodyne C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)COCc1cccc(C(=O)c2ccccc2)c1 ZINC000038969891 JH Annotated Anodyne C[C@@H](/C=C1\C(=O)N(C)[C@@H](C[C@H](CO)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000038970327 JH Annotated Anodyne CO[C@@H]1C=C([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)[C@H](OC(C)=O)[C@H](O)[C@H]3C(C)(C)C(=O)C=C[C@@]32C)C(=O)O1 ZINC000038972141 JH Annotated Anodyne C=C[C@@]1(C)CCC2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@@H]1[C@]2(C)[C@@H](O)CC[C@@]1(C)COC(C)=O ZINC000038992715 JH 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@]56CCCC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000038992985 JH Annotated Anodyne C=C(C=O)CC[C@@H]1C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]1/C(C)=C/C=O ZINC000038993455 JH Annotated Reactive O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(SC(F)(F)C(F)F)c(Cl)c1 ZINC000039014076 JH Annotated Mild O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(C2CCCCC2)S(=O)(=O)N1C1CCCCC1 ZINC000039014289 JH Annotated Bother CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](CC=C6[C@@H](O)C=CC(=O)[C@@]65C)[C@@H]3CC[C@@H]42)C1 ZINC000039014435 JH Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000039035808 JH Annotated Anodyne COC[C@@H](C)C1=N[C@H](c2nc(/C=C/[C@H](OC)[C@@H](C)/C(=C\C(=O)OC)OC)cs2)CS1 ZINC000039067291 JH Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@H]3C[C@]123 ZINC000039146408 JH Annotated Mild COC(=O)c1cc2c(s1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@@H]3C[C@@]123 ZINC000039146409 JH Annotated Mild O=C(OC[C@@]12C=C[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@H]1Cc1cc(O)ccc1O2)c1ccccc1 ZINC000039166486 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](CC=C6[C@@H](O)C=CC(=O)[C@@]65C)[C@@H]3CC[C@H]24)C1 ZINC000039183119 JH Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@H](O)[C@]34CC[C@H]5[C@@H](CC=C6[C@@H](O)C=CC(=O)[C@@]65C)[C@@H]3CC[C@@H]42)C1 ZINC000039183121 JH Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CCCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000039183277 JH Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H]([C@@H]4CCOC4)OC(=O)[C@H]4O[C@]43[C@]12C ZINC000039183711 JH Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H]([C@H]4CCOC4)OC(=O)[C@H]4O[C@]43[C@]12C ZINC000039183712 JH Annotated Anodyne O=C(O)c1cn(OCc2ccccc2)c2ccc3c(sc(=O)n3Cc3ccccc3)c2c1=O ZINC000039215010 JH Annotated Anodyne CCN1CCN(/C=C2\N=C3CN=C(c4ccccc4F)c4cc(Cl)ccc4N3C2=O)CC1 ZINC000039215749 JH Annotated Anodyne CC(=O)N1CCC2(CC1)Oc1c(I)cc(C(C)(C)C)cc1C[N+]2(C)C ZINC000039318374 JH Annotated Bother CC1(C)[C@@H]([C@H](Br)C(Br)(Br)Br)[C@H]1C(=O)O ZINC000039321310 JH Annotated Reactive in-vitro CC1(C)[C@@H]([C@@H](Br)C(Br)(Br)Br)[C@H]1C(=O)O ZINC000039321316 JH Annotated Reactive in-vitro COc1ccccc1[C@@H]1CN(CC(=O)N2CCC([C@H](O)c3ccccn3)CC2)Cc2ccccc2O1 ZINC000039353597 JH Annotated Anodyne COc1ccccc1[C@H]1CN(CC(=O)N2CCC([C@H](O)c3ccccn3)CC2)Cc2ccccc2O1 ZINC000039353598 JH Annotated Anodyne CCOC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1 ZINC000039358308 JH Annotated Anodyne Cc1c(Br)cc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1Br ZINC000039775397 JH Annotated Reactive O=C(N[C@@H]1CCS(=O)(=O)C1)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000004012779 JH Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000004012781 JH Annotated Anodyne Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12 ZINC000004034989 JH Annotated Anodyne CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)CC1 ZINC000004035017 JH Annotated Anodyne CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)CC1 ZINC000004035018 JH Annotated Anodyne Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000004035203 JH Annotated Anodyne Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 ZINC000004035774 JH Annotated Anodyne COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)cc1 ZINC000004035790 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004036751 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004036754 JH Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC ZINC000004036827 JH Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC ZINC000004036832 JH Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004037578 JH Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004037601 JH Annotated Bother CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038240 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038246 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038250 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038252 JH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004038806 JH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004038810 JH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004038817 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004039006 JH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004039009 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004039012 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004039169 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004039172 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004039344 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004039351 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004039356 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004039365 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004039453 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004039455 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004039462 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004039468 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039582 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039587 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039588 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039590 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2)c1 ZINC000004040077 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2)c1 ZINC000004040082 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2)c1 ZINC000004040086 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2)c1 ZINC000004040089 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004040668 JH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004040670 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004040673 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN(CC)CC)c1 ZINC000004041044 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN(CC)CC)c1 ZINC000004041048 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN(CC)CC)c1 ZINC000004041054 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN(CC)CC)c1 ZINC000004041056 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004041077 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004041080 JH Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004041084 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004041091 JH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004041477 JH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004041490 JH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004041495 JH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004041502 JH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041585 JH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041592 JH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041602 JH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041608 JH Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041835 JH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041837 JH Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041839 JH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041841 JH Annotated Mild COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004041934 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004041938 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004041941 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004041943 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004042020 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004042023 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004042025 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004042029 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042066 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042068 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042071 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042084 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCC#N ZINC000004043392 JH Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCC#N ZINC000004043394 JH Annotated Mild COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCC#N ZINC000004043396 JH Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCC#N ZINC000004043398 JH Annotated Mild COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004043478 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004043479 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004043480 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004043482 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043530 JH Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043532 JH Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043536 JH Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043538 JH Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004043629 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004043632 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004043635 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004043636 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043646 JH Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043648 JH Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043649 JH Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043652 JH Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044130 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044134 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044141 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044149 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004044455 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004044458 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004044462 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004044464 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000004044504 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000004044505 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000004044507 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000004044509 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004044551 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004044556 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004044560 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044607 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044608 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044610 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004044794 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004044797 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000004044798 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044829 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044831 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044833 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004044913 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004044915 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)c1 ZINC000004045164 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)c1 ZINC000004045165 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)c1 ZINC000004045167 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)c1 ZINC000004045169 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004045181 JH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004045183 JH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004045185 JH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004045188 JH Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004045246 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004045248 JH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004045252 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004045256 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004045426 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004045427 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004045430 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045510 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045511 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045512 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045513 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045614 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045618 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046314 JH Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046318 JH Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)c1OC ZINC000004046462 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)c1OC ZINC000004046466 JH Annotated Anodyne C[C@H]1CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C[C@@H](C)O1 ZINC000004048689 JH Annotated Anodyne C[C@H]1CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C[C@H](C)O1 ZINC000004048690 JH Annotated Anodyne C[C@@H]1CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C[C@@H](C)O1 ZINC000004048691 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1OC ZINC000004049022 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1OC ZINC000004049023 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1OC ZINC000004049024 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1OC ZINC000004049025 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004049302 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000004049303 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004049304 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000004049305 JH Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049579 JH Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049580 JH Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCC#N)cc1OC ZINC000004049621 JH Annotated Mild COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCC#N)cc1OC ZINC000004049622 JH Annotated Mild COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCC#N)cc1OC ZINC000004049623 JH Annotated Mild COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCC#N)cc1OC ZINC000004049624 JH Annotated Mild COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049661 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049662 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004049663 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004049664 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049750 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049751 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049753 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049760 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004050117 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004050120 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004050122 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004050123 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000004050907 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000004050908 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000004050913 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000004050915 JH Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004051091 JH Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004051094 JH Annotated Bother O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004051100 JH Annotated Bother O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004051109 JH Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004051113 JH Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004051116 JH Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004051125 JH Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004051130 JH Annotated Bother COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004051892 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004051893 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004051895 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1OC ZINC000004051979 JH Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1OC ZINC000004051982 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004052592 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004052595 JH Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053322 JH Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053323 JH Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053483 JH Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053485 JH Annotated Bother COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1OC ZINC000004053506 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1OC ZINC000004053507 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1OC ZINC000004053508 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1OC ZINC000004053509 JH Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004053535 JH Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004053542 JH Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004053545 JH Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004054548 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004054550 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004054552 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004054554 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004054793 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004054795 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004054798 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004054801 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054817 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054819 JH Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054820 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054824 JH Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055084 JH Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055085 JH Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055086 JH Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055087 JH Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055366 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055367 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004055368 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004055369 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055382 JH Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055383 JH Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055384 JH Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004055385 JH Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004055406 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004055407 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004055408 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004055409 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055916 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055917 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055918 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055919 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055928 JH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055929 JH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055930 JH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055931 JH Annotated Bother CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004056032 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004056033 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004056034 JH Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)c1 ZINC000004075432 JH Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)c1 ZINC000004075433 JH Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000004075452 JH Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000004075453 JH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075580 JH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075581 JH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075582 JH Annotated Anodyne CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000004076261 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004076910 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004076914 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004076926 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004076998 JH Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)cc1OC ZINC000004077000 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004077003 JH Annotated Bother COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)cc1OC ZINC000004077004 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004077008 JH Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077027 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077036 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077066 JH Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004077562 JH Annotated Bother O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004077565 JH Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004077677 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004077680 JH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004079450 JH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004079451 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004079453 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000004079656 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)cc1OC ZINC000004079662 JH Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080257 JH Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080258 JH Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004080698 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004080702 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004080793 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004080797 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004080798 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080831 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080832 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080834 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080837 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004080987 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004080989 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004080993 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004080996 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004081107 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004081108 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004081110 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004081111 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004081403 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004081404 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004081405 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004081406 JH Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081410 JH Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081412 JH Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081414 JH Annotated Bother O=C(CCC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1 ZINC000004092154 JH Annotated Anodyne O=C(CCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1 ZINC000004092163 JH Annotated Anodyne C[C@]1(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21 ZINC000004092168 JH Annotated Anodyne C[C@@]1(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21 ZINC000004092169 JH Annotated Anodyne C[C@]1(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21 ZINC000004092170 JH Annotated Anodyne C[C@@]1(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21 ZINC000004092172 JH Annotated Anodyne O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1ccccn1 ZINC000004093027 JH Annotated Anodyne COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000004099612 JH Annotated Anodyne COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000004099613 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H](C)C(=O)[C@H]2C)c(OC)c1OC ZINC000004101612 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(OC)c3OC)[C@H](C)C(=O)[C@H]2C)c(OC)c1OC ZINC000004101613 JH Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000004127928 JH Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000004127931 JH Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000004127932 JH Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000004127933 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000004127934 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000004127935 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000004127936 JH Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000004127937 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000004127945 JH Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000004127948 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000004127956 JH Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000004127958 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)C)C(=O)[C@H]24)cc1Cl ZINC000004128018 JH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)C)C(=O)[C@H]24)cc1Cl ZINC000004128021 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000004128041 JH Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000004128045 JH Annotated Anodyne CC1CCN(S(=O)(=O)c2cn(CC(=O)N(C)c3ccc(Cl)cc3)c(=O)c3ccccc23)CC1 ZINC000004148811 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004151930 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)CC ZINC000004151931 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004151933 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004151935 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152001 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152002 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004152052 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152053 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004152054 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152055 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004152093 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004152095 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCOCCO ZINC000004152098 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCOCCO ZINC000004152100 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152363 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152365 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152367 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152369 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152384 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152385 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004152386 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152407 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152408 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004152409 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004152410 JH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004152684 JH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004152685 JH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004152687 JH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004152689 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152930 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152932 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152935 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152950 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152952 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152954 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152957 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004152967 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004152969 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004152971 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004152974 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCC#N ZINC000004153291 JH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCC#N ZINC000004153293 JH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCC#N ZINC000004153294 JH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCC#N ZINC000004153295 JH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCOC ZINC000004153378 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCOC ZINC000004153379 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCOC ZINC000004153380 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCOC ZINC000004153381 JH Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004153407 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004153408 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004153409 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004153410 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CCOCC1 ZINC000004153766 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CCOCC1 ZINC000004153767 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153899 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153900 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153901 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153914 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153915 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153916 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153917 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154014 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154015 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154016 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004154034 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004154035 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154311 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154312 JH Annotated Bother CN1C(=O)N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162560 JH Annotated Anodyne CN1C(=O)N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162562 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000004181280 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202152 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202153 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202154 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202155 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202180 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202181 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202182 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004202183 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202224 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202225 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202226 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000004202227 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204595 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204596 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204597 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204620 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204622 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204624 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004205247 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004205250 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004205252 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004205254 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004205646 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004205649 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004205651 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004205653 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205675 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205679 JH Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205681 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205683 JH Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206360 JH Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206362 JH Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206365 JH Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206369 JH Annotated Bother COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004207053 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004207055 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004207057 JH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004207059 JH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004207094 JH Annotated Bother COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004207096 JH Annotated Bother COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004207099 JH Annotated Bother COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004207102 JH Annotated Bother COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004207142 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004207144 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004207148 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004207150 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004208001 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004208002 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004208004 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004208005 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208021 JH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208023 JH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208024 JH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208025 JH Annotated Bother CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004208206 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004208207 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004208208 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004208475 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004208476 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004208477 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208482 JH Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208483 JH Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208484 JH Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208485 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208486 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208487 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208488 JH Annotated Anodyne O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004208534 JH Annotated Bother O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004208535 JH Annotated Bother COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004208548 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004208549 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004210008 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004210013 JH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004210018 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004210026 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210127 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210132 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210140 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004210146 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004211455 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004211457 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004211459 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004211461 JH Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211468 JH Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211470 JH Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211472 JH Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211475 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004211982 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004211986 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004211994 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004211997 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212242 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212245 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212248 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212250 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212370 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212373 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)CC ZINC000004212376 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)CC ZINC000004212379 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212607 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212610 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN(CC)CC ZINC000004212615 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN(CC)CC ZINC000004212621 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCOCCO ZINC000004212682 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCOCCO ZINC000004212686 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCOCCO ZINC000004212690 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCOCCO ZINC000004212693 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCO ZINC000004212885 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCO ZINC000004212888 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCO ZINC000004212891 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCO ZINC000004212894 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004213428 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004213430 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004213431 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004213434 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004213496 JH Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004213499 JH Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004213501 JH Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004213503 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCOCCO ZINC000004213594 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCOCCO ZINC000004213596 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCOCCO ZINC000004213598 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCOCCO ZINC000004213599 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCOC ZINC000004214040 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCOC ZINC000004214041 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCOC ZINC000004214043 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCOC ZINC000004214045 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214113 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214114 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214116 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214118 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215201 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215203 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215205 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215206 JH Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216356 JH Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216359 JH Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216364 JH Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216367 JH Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216570 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216571 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216574 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216575 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216604 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216607 JH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCC(C)(C)CO ZINC000004216609 JH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCC(C)(C)CO ZINC000004216613 JH Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229576 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229577 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229578 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229579 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229580 JH Annotated Clean CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229581 JH Annotated Clean CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229582 JH Annotated Clean CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000004229583 JH Annotated Clean COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000004238834 JH Annotated Anodyne O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 ZINC000004239175 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274889 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274892 JH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274894 JH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274896 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004295966 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004295969 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000004295970 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004296245 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004296246 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000004296248 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296434 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296435 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296436 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296495 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296496 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296497 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296498 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296523 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296524 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296525 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296526 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296535 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296536 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296537 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004296651 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004296652 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004296653 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004296699 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004296700 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004296701 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004296702 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296763 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296764 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296765 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004296766 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004296790 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004296791 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004296792 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004296793 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296802 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296803 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296804 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296805 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296968 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296969 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296970 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004310285 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004310286 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004310287 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004310288 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004310313 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004310314 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004310315 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004310316 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310325 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310326 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310327 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000004313763 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000004313768 JH Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334464 JH Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334465 JH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347404 JH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347407 JH Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000004391763 JH Annotated Clean O=C(O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O ZINC000004392639 JH Annotated Anodyne CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCN(CC)CC)cccc1C2=O ZINC000004393910 JH Annotated Clean COc1cc(OC)cc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1 ZINC000004409467 JH Annotated Anodyne COc1cc(OC)cc([C@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1 ZINC000004409469 JH Annotated Anodyne Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1/N=C\c1ccc(OCC(=O)O)cc1 ZINC000004470285 JH Annotated Mild CN(C)CCCNC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 ZINC000004497997 JH Annotated Bother OCCCn1nnc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000040379488 JH Annotated Anodyne Cn1c(C(=O)n2nc(O)c3cc(C#N)ccc32)cc2cccc(S(=O)(=O)c3ccccc3)c21 ZINC000040379642 JH Annotated Mild O=C1/C(=C/c2ccccc2)CN(C(=O)CCSCCS(=O)(=O)O)C/C1=C\c1ccccc1 ZINC000040379740 JH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OCc3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000040380229 JH Annotated Bother COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H](OC(C)=O)[C@H](C)[C@H](C)[C@@H]3O)OCO2 ZINC000040380436 JH Annotated Anodyne O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)CCc1nnc(Cc3ccccc3)n1-2 ZINC000040380475 JH Annotated Anodyne C=C[C@@](C)(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O ZINC000040380497 JH Annotated Mild Nc1nc(N)c2c(n1)N(c1ccc(Br)cc1)c1cc(Cl)ccc1S2(=O)=O ZINC000040380580 JH Annotated Anodyne CN1C/C(=C\c2ccco2)C(=O)[C@]2(C1)[C@@H](c1ccco1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000040392226 JH Annotated Mild CCCS(=O)(=O)N1CCC(c2ccccn2)([C@H](C)NC(=O)c2cc(F)cc(F)c2Cl)CC1 ZINC000040393662 JH Annotated Anodyne C/C(=C\c1csc(C)n1)[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC/C=C\[C@@H]1O ZINC000040393821 JH Annotated Anodyne CCCS(=O)(=O)N1CCC(CNC(=O)c2c(Cl)cccc2Cl)(c2ccccn2)CC1 ZINC000040394408 JH Annotated Anodyne COc1cccc(-c2nnc(-c3cc(C(F)(F)F)nn3-c3cccc(CNC(=O)[C@H](C)N)c3)o2)c1 ZINC000040394726 JH Annotated Anodyne O=C(c1ccc(Br)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000040394867 JH Annotated Bother CCOc1cccc2c1S(=O)(=O)N/C2=C1\C(=O)[C@H](C2CCCCC2)N(CCC(C)(C)C)C1=O ZINC000040395093 JH Annotated Mild CCCN(CCCc1ccc(F)cc1)C[C@@H]1OC(=O)N(C)C[C@H]1NC(=O)Nc1nc(C)cs1 ZINC000040395141 JH Annotated Anodyne COc1ccc(C(=O)NN2CCOCC2)cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12 ZINC000040395382 JH Annotated Anodyne N[C@@H](CC(=O)NC1(c2nc3c(Cl)cccc3s2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000040395435 JH Annotated Anodyne CO[C@H]1CC[C@@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O ZINC000040395517 JH Annotated Anodyne Cc1csc2c(NCCN(C)C)c3c(c(NCCN(C)C)c12)C(=O)c1ccccc1C3=O ZINC000040395756 JH Annotated Clean Nc1nc(CCCNC(=O)c2cc(Br)c(Br)n2-c2ccccc2)c[nH]1 ZINC000040395803 JH Annotated Anodyne N[C@@H](CC(=O)NC1(c2nc3ccc(Cl)cc3s2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000040401199 JH Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040401407 JH Annotated Anodyne CN1CCN(CC(=O)O[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040401410 JH Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040401413 JH Annotated Anodyne CCOC(=O)c1c(NCCCN(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040401420 JH Annotated Anodyne Cc1nc(/C=C/[C@@H]2C[C@@H]3O[C@@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000040405089 JH Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(F)c(N3CCOCC3)c2)C(=O)N1c1nccs1 ZINC000040406219 JH Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12 ZINC000040406462 JH Annotated Anodyne C#CCN(CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4)C(C)C ZINC000040411548 JH Annotated Mild COc1cc2c(=O)n(CCN(C)CC(F)(F)F)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040413952 JH Annotated Bother CCN(CC)c1nc(C)c([N+](=O)[O-])c(NCCNC(=S)Nc2cccc(Br)c2)n1 ZINC000040420419 JH Annotated Bother O=P(O)(O)C(O)(CCCn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(O)O ZINC000040421710 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000040421954 JH Annotated Mild COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@@H](N)CC(C)C)C2(C)C)c2ncccc2c1 ZINC000040422073 JH Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@@H](N)CC(C)C)C2(C)C)c2ncccc2c1 ZINC000040422075 JH Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000040422787 JH Annotated Anodyne COc1cc(OC)c2c(=O)cc(-c3ccc(N4CCN(c5ccccn5)CC4)c(N)c3)n(C)c2c1 ZINC000040423534 JH Annotated Anodyne C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc([C@](C)(F)C(F)(F)F)cc1 ZINC000040423546 JH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@@H]3OC(C)(C)O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000040423675 JH Annotated Anodyne COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccc(F)c2F)C(C)(C)C)cc1OC ZINC000040423714 JH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccc(F)c2F)C(C)(C)C)cc1OC ZINC000040423715 JH Annotated Mild CO[C@]1(CC(C)=O)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000040423934 JH Annotated Clean CO[C@@]1(CC(C)=O)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000040423935 JH Annotated Clean in-vitro biogenic CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(=O)CCc4cccnc4)cc3)c(F)c2)C(=O)O1 ZINC000040424086 JH Annotated Anodyne Cc1ccc([C@H](C(P(=O)(O)O)P(=O)(O)O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040425325 JH Annotated Mild Cc1ccc([C@@H](C(P(=O)(O)O)P(=O)(O)O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040425327 JH Annotated Mild Cc1ccc([C@H](C(P(=O)(O)O)P(=O)(O)O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040425329 JH Annotated Mild Cc1ccc([C@@H](C(P(=O)(O)O)P(=O)(O)O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040425331 JH Annotated Mild COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)c2ccco2)=CC3=O)n1 ZINC000040428944 JH Annotated Mild CC(=O)O[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@@H](/C=C/CCc1ccccc1)OC(=O)[C@H](C)N(C)C ZINC000040429474 JH Annotated Anodyne NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4cccnc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO ZINC000040429807 JH Annotated Bother CC[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000040430205 JH Annotated Mild CC[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000040430207 JH Annotated Mild Nc1cccc([C@]2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1 ZINC000040430226 JH Annotated Anodyne Nc1cccc([C@@]2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1 ZINC000040430228 JH Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@H](C)[C@H](O)O[C@]3(O)C=C12 ZINC000040449337 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@H](C)[C@H](O)O[C@]3(O)C=C12 ZINC000040449339 JH Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@H](C)[C@H](O)O[C@@]3(O)C=C12 ZINC000040449341 JH Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@H](C)[C@H](O)O[C@@]3(O)C=C12 ZINC000040449343 JH Annotated Anodyne CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450396 JH Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000040464992 JH Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000040464993 JH Annotated Mild O=C(OCCS(=O)(=O)c1ccccc1)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C\C#C[C@H]14 ZINC000040466877 JH Annotated Mild C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5ccc(F)cc5F)CC4)c(c32)S1 ZINC000040477246 JH Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5ccc(F)cc5F)CC4)c(c32)S1 ZINC000040477247 JH Annotated Anodyne C=C1COc2c(ccc3c2NC(=O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(=O)N4C)OC1(C)C ZINC000040479684 JH Annotated Mild C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5cccc(F)c5)CC4)c(c32)S1 ZINC000040480893 JH Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5cccc(F)c5)CC4)c(c32)S1 ZINC000040480897 JH Annotated Anodyne COc1cc(NC(=O)N2N=C(C)N(C(=O)Nc3cc(OC)cc(OC)c3)N=C2C)cc(OC)c1 ZINC000040504461 JH Annotated Anodyne O=C(O)c1ccc(OC/C=C/Cn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000040564878 JH Annotated Anodyne CCCCCCOC(=O)C[C@H](NC(=O)c1cc(O)c(OC)c(OC)c1O)C(=O)OCCCCCC ZINC000040565455 JH Annotated Anodyne CC(=O)O/N=C1/C(c2c(O)n(C)c3c(I)cccc23)=Nc2ccccc21 ZINC000040565633 JH Annotated Mild CCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)cc1CO ZINC000040565823 JH Annotated Anodyne CCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(OC)c(C)c2)cc1CO ZINC000040566027 JH Annotated Anodyne Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCOCC1 ZINC000040566958 JH Annotated Mild COc1cc2c(cc1[N+](=O)[O-])C(=O)N(CCCBr)[C@@H]1c3cc4c(cc3C(=O)[C@H]21)OCO4 ZINC000040567152 JH Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccc(OCCN(C)C)cc2)C3=O)C(=O)O1 ZINC000040577055 JH Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040617249 JH Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040617251 JH Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040617253 JH Annotated Anodyne CC(C)C[C@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000040662848 JH Annotated Anodyne CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/C#N)[C@@H]2SC1 ZINC000040700793 JH Annotated Reactive Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCN2CCOCC2)c2cccc(Br)c21 ZINC000040762746 JH Annotated Mild CCC(=O)OCc1cc(-n2nc(C(F)F)cc2-c2ccc(OC)c(C)c2)ccc1S(N)(=O)=O ZINC000040763297 JH Annotated Anodyne CCCCCCOC(=O)C[C@H](NC(=O)c1nccc(OC)c1O)C(=O)OCCCCCC ZINC000040763411 JH Annotated Anodyne C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@@H]2C(=C)[C@H](O)C/C=C(\C)CC[C@H]12)OC(C)=O ZINC000040763818 JH Annotated Mild C=C(C)[C@H](C[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@@H]2C(=C)[C@H](O)C/C=C(\C)CC[C@H]12)OC(C)=O ZINC000040763819 JH Annotated Mild CCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccc(I)cc3[C@]3(O)CCO[C@H]23)C1=O ZINC000040764041 JH Annotated Mild CN(C(=O)c1cc2n(n1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O)c1ccccc1 ZINC000040764282 JH Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCN)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040764289 JH Annotated Anodyne CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(I)c1 ZINC000040810582 JH Annotated Mild COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2ccc(F)c(F)c2)C(C)(C)C)cc1OC ZINC000040834415 JH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2ccc(F)c(F)c2)C(C)(C)C)cc1OC ZINC000040834417 JH Annotated Mild CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@H]1Cc3ccccc3N21 ZINC000040834500 JH Annotated Anodyne CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@@H]1Cc3ccccc3N21 ZINC000040834502 JH Annotated Anodyne CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1C[S@@](=O)c1ccc(F)cc1 ZINC000040835465 JH Annotated Clean CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1C[S@](=O)c1ccc(F)cc1 ZINC000040835467 JH Annotated Clean COc1cc(C2=C(c3cn(C[C@H]4COC(C)(C)O4)c4ccccc34)CNC2=O)cc(OC)c1OC ZINC000040836472 JH Annotated Anodyne COc1cc(C2=C(c3cn(C[C@@H]4COC(C)(C)O4)c4ccccc34)CNC2=O)cc(OC)c1OC ZINC000040836474 JH Annotated Anodyne C=C1[C@@H]2[C@H](CC/C(C)=C/C[C@H]1O)C([C@@H](C[C@@H](OC(C)=O)C(=C)C)OC(C)=O)=CO[C@@H]2OC(C)=O ZINC000040845509 JH Annotated Mild C=C1[C@@H]2[C@H](CC/C(C)=C/C[C@H]1O)C([C@H](C[C@@H](OC(C)=O)C(=C)C)OC(C)=O)=CO[C@@H]2OC(C)=O ZINC000040845511 JH Annotated Mild CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1C[S@@](=O)c1cccc(OC)c1 ZINC000040848205 JH Annotated Clean CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1C[S@](=O)c1cccc(OC)c1 ZINC000040848206 JH Annotated Clean CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 ZINC000040848228 JH Annotated Anodyne CCOC(=O)c1cc2c(CN(C)C)c(O)c(OC)cc2nc1C[S@@](=O)c1ccc(F)cc1 ZINC000040859919 JH Annotated Clean CCOC(=O)c1cc2c(CN(C)C)c(O)c(OC)cc2nc1C[S@](=O)c1ccc(F)cc1 ZINC000040859921 JH Annotated Clean CO[C@H]1c2c([nH]c3c4c(ccc23)OC(C)(C)C=C4)C(C)(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]12NC4=O ZINC000040861008 JH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2ccccn2)([C@@H](C)NC(=O)c2cc(F)cc(F)c2Cl)CC1 ZINC000040861598 JH Annotated Anodyne CCOC(=O)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(=O)OCC)cn3)cc2)nc1 ZINC000040861628 JH Annotated Mild O=C(O)Cc1cc(S(=O)(=O)c2ccc(Sc3ccc(C(=O)O)cc3)cc2)ccc1C(=O)O ZINC000040862806 JH Annotated Anodyne Cc1ccc(NC(=S)N/N=C/c2ccc(/C=C/c3ncc([N+](=O)[O-])n3CCO)cc2)cc1 ZINC000040863459 JH Annotated Mild C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1cccc(Br)c1)c1cccc(Br)c1 ZINC000040863724 JH Annotated Reactive Cc1nc(/C=C(\CO)[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000040864075 JH Annotated Anodyne Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1 ZINC000040864316 JH Annotated Anodyne in-vitro C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccn3)nn2)O1 ZINC000040865129 JH Annotated Mild OCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 ZINC000040865576 JH Annotated Anodyne COCCN(C(=O)COc1ccc(Cl)cc1)[C@H]1c2cc(OC)c(OC)cc2CC[C@H]1N(C)C ZINC000040865724 JH Annotated Anodyne COCCN(C(=O)COc1ccc(Cl)cc1)[C@H]1c2cc(OC)c(OC)cc2CC[C@@H]1N(C)C ZINC000040865726 JH Annotated Anodyne COCCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[C@H]1N(C)C ZINC000040865728 JH Annotated Anodyne COCCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[C@@H]1N(C)C ZINC000040865730 JH Annotated Anodyne COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1 ZINC000040866026 JH Annotated Mild O=[N+]([O-])c1cnc(/C=C/c2ccc(/C=N/NC(=S)NC3CCCCCCC3)cc2)n1CCO ZINC000040866346 JH Annotated Mild CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]2(C)[C@H]1OC(C)=O ZINC000040866708 JH Annotated Anodyne in-vitro biogenic C[C@@H](c1cc(O)c2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000040867203 JH Annotated Mild C[C@@H](c1cc(O)c2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000040867205 JH Annotated Mild C=C[C@@](C)(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)O[C@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000040873143 JH Annotated Mild CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000040873388 JH Annotated Bother CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000040873390 JH Annotated Bother CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000040873392 JH Annotated Bother CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000040873393 JH Annotated Bother CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H]1c1ccccc1 ZINC000040873743 JH Annotated Bother CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 ZINC000040874059 JH Annotated Anodyne CNS(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040874160 JH Annotated Anodyne CC(C)OC(=O)c1c(NCCN(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040875025 JH Annotated Anodyne Nc1nc(CCCNC(=O)c2cc(Br)c(Br)n2C2CCCC2)c[nH]1 ZINC000040875451 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000040875683 JH Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040876951 JH Annotated Anodyne CN1CCN(CC(=O)N[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040876955 JH Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2CC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040876958 JH Annotated Anodyne Nc1nc(CCCNC(=O)c2cc(Br)c(Br)n2Cc2ccccc2)c[nH]1 ZINC000040877664 JH Annotated Anodyne COc1ccc(C(=O)Nc2cc(CN3CCNCC3)cc(-c3nc4ncccc4o3)c2)c(OC)c1 ZINC000040891847 JH Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C2CC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040894626 JH Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C2CC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040894629 JH Annotated Mild C=C1[C@H]2[C@@H]3C[C@](C)(O)[C@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H](O3)[C@H]2[C@H](C(C)C)C[C@H]1OC(C)=O ZINC000040894713 JH Annotated Mild Cc1cc(C)n(C(=O)CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1 ZINC000040899023 JH Annotated Anodyne Cc1cc(C)n(C(=O)CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1 ZINC000040899026 JH Annotated Anodyne O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=S ZINC000040900194 JH Annotated Bother Nc1nc(N)c2c(n1)N(c1ccc(Br)cc1)c1ccc(Cl)cc1S2(=O)=O ZINC000040900538 JH Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(I)cc1)C2=O ZINC000040900725 JH Annotated Anodyne O=[N+]([O-])c1cnc(/C=C/c2ccc(/C=N/NC(=S)N3CCCc4ccccc43)cc2)n1CCO ZINC000040913491 JH Annotated Mild Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000040914399 JH Annotated Reactive COc1ccc(-c2n[nH]c(=O)c(/C(=N/Nc3ccccc3)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000040915661 JH Annotated Mild CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCCC1CCN(C)CC1 ZINC000040917297 JH Annotated Mild CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCC1CCN(C(C)C)CC1 ZINC000040917301 JH Annotated Mild COc1ccc(N/N=C(\c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccccc3)n[nH]c2=O)cc1 ZINC000040917416 JH Annotated Mild Cc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@](C)(O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)c1=O ZINC000040917875 JH Annotated Anodyne COc1cc(/C(=N\Nc2ccccc2)c2nc(-c3ccccc3)n[nH]c2=O)cc(OC)c1OC ZINC000040917930 JH Annotated Mild COc1ccccc1N/N=C(\c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)n[nH]c1=O ZINC000040918428 JH Annotated Mild CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOC(=O)OCc3ccccc3)nn2)O1 ZINC000040919066 JH Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)s1)n2CCC(N)=O ZINC000040919100 JH Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOC(=O)OCc3ccccc3)nn2)O1 ZINC000040919165 JH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccc(OC)cc3)nn2)O1 ZINC000040933166 JH Annotated Mild Cc1cccc(NC(=O)OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)NC(C)C)O3)nn2)c1 ZINC000040933337 JH Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)CCc3ccccc3)nn2)O1 ZINC000040933788 JH Annotated Mild Cc1cc(=O)oc2c(C3=NN(c4ccc(S(N)(=O)=O)cc4)[C@H](c4cccc(O)c4)C3)c(O)ccc12 ZINC000040934016 JH Annotated Clean Cc1cc(=O)oc2c(C3=NN(c4ccc(S(N)(=O)=O)cc4)[C@@H](c4cccc(O)c4)C3)c(O)ccc12 ZINC000040934017 JH Annotated Clean CC[C@@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CCN1c1ccc(C(F)(F)F)cn1 ZINC000040934096 JH Annotated Anodyne CC[C@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CCN1c1ccc(C(F)(F)F)cn1 ZINC000040934097 JH Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCC(N)=O ZINC000040934127 JH Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOC(=O)OCc3ccccc3)nn2)O1 ZINC000040934160 JH Annotated Mild CCCCCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)O2)nn1 ZINC000040934385 JH Annotated Mild CCCCCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCN(C[C@H]4CCCO4)CC3)O2)nn1 ZINC000040934387 JH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccc3[N+](=O)[O-])nn2)O1 ZINC000040934556 JH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCNC(=O)Nc3cccc(C)c3)nn2)O1 ZINC000040934747 JH Annotated Mild Cc1cccc(NC(=O)OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N4CCCC4)O3)nn2)c1 ZINC000040935071 JH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)CCc3ccccc3)nn2)O1 ZINC000040935241 JH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(OC)c3OC)nn2)O1 ZINC000040935304 JH Annotated Mild O=S(=O)(Nc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1)c1c(F)cccc1F ZINC000040937750 JH Annotated Clean COc1cc2c(=O)n(CCN(CC#N)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040939332 JH Annotated Mild CO[C@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000040939622 JH Annotated Bother CO[C@]1(O)C(=O)c2ccccc2O[C@@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000040939624 JH Annotated Bother CCN(CC)c1nc(C)c([N+](=O)[O-])c(NCCNC(=S)Nc2ccc(C)c(Cl)c2)n1 ZINC000040943366 JH Annotated Bother COc1c2c(cc3c1[C@H](c1ccc(OC(=O)c4ccccc4)c(O)c1)[C@H]1C(=O)OC[C@@H]1C3)OCO2 ZINC000040943568 JH Annotated Anodyne C[C@@H]1CN(CC2(c3cccnc3)CCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040951117 JH Annotated Anodyne COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2c(F)cc(F)cc2F)C(C)(C)C)cc1OC ZINC000040951412 JH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2c(F)cc(F)cc2F)C(C)(C)C)cc1OC ZINC000040951415 JH Annotated Mild O=C1Nc2ccc(OC(F)(F)F)cc2/C1=N/NC(=S)Nc1ccc(Br)cc1 ZINC000040951543 JH Annotated Mild COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2c(F)cccc2F)C(C)(C)C)cc1OC ZINC000040951851 JH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2c(F)cccc2F)C(C)(C)C)cc1OC ZINC000040951853 JH Annotated Mild CCCOc1cc(OC)cc2c1c(=O)c1cc(N)c(N3CCN(c4ccccn4)CC3)cc1n2C ZINC000040951919 JH Annotated Bother COC1=C(I)C(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000040952357 JH Annotated Mild Cc1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c2)cc1 ZINC000040953634 JH Annotated Anodyne CN1CCN(CCC(=O)N2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040953836 JH Annotated Anodyne CN1CCN(CCC(=O)N2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040953838 JH Annotated Anodyne CN1CCN(CCC(=O)N2CCC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040953840 JH Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040955158 JH Annotated Anodyne CN1CCN(CCC(=O)N[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040955160 JH Annotated Anodyne CN1CCN(CCC(=O)N[C@@H]2CC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040955162 JH Annotated Anodyne CC[C@@H](C)NCc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040955230 JH Annotated Anodyne CC[C@H](C)NCc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040955232 JH Annotated Anodyne C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000040955256 JH Annotated Anodyne COC(=O)/C=C/C(C)=C1/C(=O)C[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)OC ZINC000040956766 JH Annotated Mild CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CN3CCCCC3)ccc21 ZINC000040957327 JH Annotated Anodyne CC(C)CNCc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040957568 JH Annotated Anodyne CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000040972950 JH Annotated Mild CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccnc(Cl)c3)n2)CC1 ZINC000040972954 JH Annotated Anodyne CCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000040973463 JH Annotated Mild C=C([C@@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C ZINC000040974974 JH Annotated Reactive C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C ZINC000040974976 JH Annotated Reactive C=C([C@@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C ZINC000040974978 JH Annotated Reactive C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C ZINC000040974979 JH Annotated Reactive C=C/C(C)=C/C[C@@]1(C)[C@@H](C)CC(=O)[C@]23[C@H](C[C@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000040975591 JH Annotated Anodyne in-vitro biogenic COc1cc2c(=O)n(CCN(C)Cc3ccccc3)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000040979320 JH Annotated Bother O=C1[C@H](C(=S)Nc2ccc(S(=O)(=O)O)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000040981161 JH Annotated Clean O=C1[C@@H](C(=S)Nc2ccc(S(=O)(=O)O)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000040981163 JH Annotated Clean CCCCCCCCC[C@H]1NC(N)=N[C@@]2(CCCO2)[C@H]1C(=O)OCCCCCCCNC(=N)N ZINC000042835879 JH Annotated Mild C/C(=C\c1coc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000042851112 JH Annotated Anodyne CC1(C)[C@H](Br)C[C@H](O)[C@]1(C)[C@@]1(O)CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@]2(O)C1 ZINC000042877273 JH Annotated Reactive C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(-n2cccn2)c1 ZINC000042890054 JH Annotated Anodyne CCCCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000042920223 JH Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OCCN3CCCCC3)c3ccccc32)nc2ccccc21 ZINC000042989673 JH Annotated Mild Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc([N+](=O)[O-])ccc4n2)CC1)O3 ZINC000042990149 JH Annotated Bother CCCn1c(-c2ccc(S(=O)(=O)c3ccccc3)cc2)nn(CN2CCOCC2)c1=S ZINC000043009165 JH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCCCCOC(C)=O)c3ccccc32)nc2ccccc21 ZINC000043009258 JH Annotated Mild CSCC[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN ZINC000043010339 JH Annotated Reactive CS(=O)(=O)/N=C(\O)NCCCc1ccc2c(C(=O)NCC3CCCCC3)c(Cl)ccc2n1 ZINC000043012175 JH Annotated Mild N/C(=N\O)c1ccc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3ccccc32)cc1 ZINC000043013705 JH Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)c(OC)c2)n2c1Cc1ccccc1-2 ZINC000043014990 JH Annotated Anodyne Cc1ccc(-c2n[nH]cc2/C=N/n2c(-c3ccccc3)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000043015808 JH Annotated Mild C#CCn1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c(=O)c2ccc(Cl)nc21 ZINC000043018257 JH Annotated Mild C#CCn1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(=O)c2ccc(Cl)nc21 ZINC000043018260 JH Annotated Mild CN(C)CCn1c(CN2C(=O)/C(=N/OCc3ccc(C(=O)O)cc3)c3ccccc32)nc2ccccc21 ZINC000043019263 JH Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2cc(OC)c(OC)c(OC)c2)n2c1Cc1ccccc1-2 ZINC000043021433 JH Annotated Anodyne NC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1csc2ccccc12 ZINC000043021470 JH Annotated Anodyne C#CCn1cc(C(=O)N[C@@H](CC(=O)Nc2ccccn2)c2ccccc2)c(=O)c2ccc(Cl)nc21 ZINC000043021488 JH Annotated Mild C#CCn1cc(C(=O)N[C@H](CC(=O)Nc2ccccn2)c2ccccc2)c(=O)c2ccc(Cl)nc21 ZINC000043021490 JH Annotated Mild C[C@@H]1C/C=C/CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1 ZINC000043022613 JH Annotated Mild CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000043022816 JH Annotated Bother CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000043022818 JH Annotated Bother CN1C(=S)NC(=O)/C1=C\c1cn(CCCCCOc2ccc(/C(N)=N/O)cc2)c2ccccc12 ZINC000043023855 JH Annotated Mild CC(=O)Oc1ccccc1C(=O)O[C@@H](C)OC(=O)c1ccc(SCCCO[N+](=O)[O-])cc1 ZINC000043024361 JH Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H](C)OC(=O)c1ccc(SCCCO[N+](=O)[O-])cc1 ZINC000043024364 JH Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000043058890 JH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000043058892 JH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCc3ccncc3)c3ccccc32)nc2ccccc21 ZINC000043059929 JH Annotated Mild CN1CCN(Cn2nc(-c3ccccc3)n(/N=C/c3c[nH]nc3-c3ccccc3)c2=S)CC1 ZINC000043059969 JH Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2c(OC)cccc2OC)n2c1Cc1ccccc1-2 ZINC000043060798 JH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCc3ccccn3)c3ccccc32)nc2ccccc21 ZINC000043060982 JH Annotated Mild N#Cc1c(-c2ccc(N3CCCCC3)cc2)c(C#N)c2n(Cc3ccccc3)c(S)n[n+]2c1N ZINC000043062152 JH Annotated Mild CN(C)c1cccc2c(S(=O)(=O)Oc3cc(N)nc(SCC(F)(F)F)n3)cccc12 ZINC000043063449 JH Annotated Anodyne COc1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1 ZINC000043063485 JH Annotated Anodyne CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000043069931 JH Annotated Bother CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000043069935 JH Annotated Bother CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1Cc1cc(OC)ccc1-2 ZINC000043071706 JH Annotated Anodyne COc1ccc(-c2n[nH]cc2/C=N/n2c(-c3ccccc3)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000043074299 JH Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OCc3cccnc3)c3ccccc32)nc2ccccc21 ZINC000043075821 JH Annotated Mild O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cc(Br)c[nH]1 ZINC000043078443 JH Annotated Anodyne O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(I)c1 ZINC000043078862 JH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000043118352 JH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000043118357 JH Annotated Anodyne C#CCn1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c(=O)c2cc(F)c(Cl)nc21 ZINC000043119122 JH Annotated Mild C#CCn1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(=O)c2cc(F)c(Cl)nc21 ZINC000043119127 JH Annotated Mild CC(C)(C)C(=O)O/C=C1/C(=O)N2[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)C(C)(C)[S@](=O)[C@H]12 ZINC000043119994 JH Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC=O)[C@@H](OC=O)C(C)(C)O2 ZINC000043120341 JH Annotated Bother COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](OC=O)[C@@H](OC=O)C(C)(C)O2 ZINC000043122137 JH Annotated Bother CSCC[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043123254 JH Annotated Reactive COc1cccc(F)c1[C@H](C)Oc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1 ZINC000043152967 JH Annotated Anodyne COc1cccc(F)c1[C@@H](C)Oc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1 ZINC000043152968 JH Annotated Anodyne CCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)CC1 ZINC000043176088 JH Annotated Anodyne Cc1ccnc(NCc2cn(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)O)cc3)nn2)c1 ZINC000043176807 JH Annotated Anodyne CS(=O)(=O)/N=C(\O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3 ZINC000043196431 JH Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000043197036 JH Annotated Anodyne Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1CCC1)C2 ZINC000043197652 JH Annotated Anodyne COc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(C)c3)c2cc1OC ZINC000043203428 JH Annotated Anodyne Cn1nccc1CCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000043206619 JH Annotated Anodyne C=C1[C@@H](O)[C@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000043261079 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)C[C@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000043261083 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000043261087 JH Annotated Mild CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@]13OO2 ZINC000043328020 JH Annotated Reactive CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@@]13OO2 ZINC000043328021 JH Annotated Reactive 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]4OCO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043504239 JH Annotated Mild CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2[C@H](C)CCC[C@@H](C)[C@@H]1OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O ZINC000043562008 JH Annotated Anodyne CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2[C@H](C)CCC[C@@H](C)[C@H]1OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O ZINC000043562009 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1 ZINC000043562109 JH Annotated Mild in-vitro COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(SCCO)=CC3=O)C2=O ZINC000043587442 JH Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043617367 JH Annotated Reactive 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(=O)O[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043649901 JH Annotated Mild CC(C)/C=C/C=C/C=C/[C@H]1OC(=O)C[C@@H]2O[C@H](CC(=O)[C@@]3(O)O[C@H](C[C@H]3C)C1(C)C)C[C@H](O)[C@H]2C ZINC000043781344 JH Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000043872291 JH Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000043872294 JH Annotated Reactive C/C=C(\C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@@H]2[C@H]1O ZINC000043889120 JH 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(=CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1O ZINC000043889123 JH Annotated Anodyne COc1nc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(OC)n1 ZINC000043920269 JH Annotated Unstable COC1=CC(=O)C=C(C[C@@H]2[C@@](C)(O)CC[C@@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@@H]5CC[C@@]23C)C1=O ZINC000044069916 JH Annotated Mild in-vitro C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]45C(=O)O[C@]2(C)[C@@H]35)OC1(C)C ZINC000044361290 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@H](C)[C@H](O)[C@@H]1O ZINC000044387397 JH Annotated Anodyne CC(C)[C@@H]1C=C[C@H](O)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr ZINC000044387513 JH Annotated Reactive CC[C@@H](C)C(=O)O[C@H]1[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@H](C)[C@H](O)[C@@H]1O ZINC000044388044 JH Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@H](C)[C@H](O)[C@@H]1O ZINC000044388047 JH Annotated Anodyne C[C@H](CO)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044404164 JH Annotated Anodyne CCCCCCCCCCC[C@H]1NC(=N)NC(CCCO)=C1C(=O)OCCCCCNC(=N)N ZINC000044404257 JH Annotated Mild CCCCCCCCCCC[C@@H]1NC(=N)NC(CCCO)=C1C(=O)OCCCCCNC(=N)N ZINC000044404261 JH Annotated Mild CCCCCCCCCCC[C@@H]1N=C(N)N[C@]2(CCCO2)[C@@H]1C(=O)OCCCCCNC(=N)N ZINC000044404311 JH Annotated Mild CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000044405948 JH Annotated Anodyne in-vitro C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1 ZINC000044405983 JH Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](CO)C[C@H](C)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000044417047 JH Annotated Mild C/C(=C\[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)[C@@H](C)CO ZINC000044430716 JH Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004732953 JH Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004732957 JH Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004732959 JH Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004732963 JH Annotated Anodyne CCc1ccccc1NC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000004757902 JH Annotated Anodyne CCc1ccc(NC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1 ZINC000004757903 JH Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)[C@H](NS(=O)(=O)c3cccs3)c3ccccc3)CC2)c1 ZINC000004787695 JH Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3cccs3)c3ccccc3)CC2)c1 ZINC000004787698 JH Annotated Anodyne COCCn1cc(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)c2c3ccccc3n(C)c2c1=O ZINC000004788845 JH Annotated Anodyne COCCn1cc(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c2c3ccccc3n(C)c2c1=O ZINC000004788854 JH Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000004793354 JH Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793357 JH Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000004793360 JH Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793364 JH Annotated Anodyne C[C@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)[C@@H]1C ZINC000004972334 JH Annotated Clean CNC(=O)[C@@H]1Cc2c([nH]c3cc(Br)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045166909 JH Annotated Anodyne CNC(=O)[C@H]1Cc2c([nH]c3cc(Br)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045166911 JH Annotated Anodyne CCCc1cc(C)ccc1OCCCON1C(NC(=O)OCC)=NC(NC(=O)OCC)=NC1(C)C ZINC000045167179 JH Annotated Anodyne O=C1COc2cc(Cl)c(CNC3CCN(CCc4ccnc5c(F)cc(F)cc45)CC3)nc2N1 ZINC000045167257 JH Annotated Anodyne CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)NCCc1ccc(Br)cc1 ZINC000045167533 JH Annotated Anodyne O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000045167966 JH Annotated Bother O=C(O)c1ccc2c(c1)N(C(=O)CNCc1ccc(F)cc1)CC(=O)N2CCCc1ccccc1 ZINC000045187228 JH Annotated Anodyne COc1cc(NC(=O)/C=C/c2cc(F)cc(F)c2F)cc(OCCN2CCC3(CC2)OCCO3)c1 ZINC000045188313 JH Annotated Anodyne CC(C)C(=O)ONC1=NC(C)(C)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(N)=N1 ZINC000045188385 JH Annotated Mild COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC2CCC2)c(F)c1 ZINC000045189697 JH Annotated Anodyne CCCNc1ccc2nccc(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045191921 JH Annotated Anodyne N#Cc1cncc(-c2nc3c(N4CCC[C@H](N)C4)cccc3n2CCNCc2ccccc2)c1 ZINC000045192677 JH Annotated Mild N#Cc1cncc(-c2nc3c(N4CCC[C@@H](N)C4)cccc3n2CCNCc2ccccc2)c1 ZINC000045192680 JH Annotated Mild COc1ccc2nccc(NC(=O)C3CCC(NCc4cnc(SC)c([N+](=O)[O-])c4)CC3)c2n1 ZINC000045192918 JH Annotated Bother COc1ccc2nccc(NC(=O)N3CCC(NCCOc4cc(F)cc(F)c4)CC3)c2n1 ZINC000045192951 JH Annotated Anodyne COc1cccc(CN2CC[C@@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)c1OC ZINC000045193360 JH Annotated Anodyne COc1cccc(CN2CC[C@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)c1OC ZINC000045193363 JH Annotated Anodyne COc1ccc(-n2ccnc2)cc1CNC1CCN(C[C@@H]2Cn3c(=O)ccc4ccc(F)c2c43)CC1 ZINC000045196155 JH Annotated Anodyne COc1ccc(-n2ccnc2)cc1CNC1CCN(C[C@H]2Cn3c(=O)ccc4ccc(F)c2c43)CC1 ZINC000045196158 JH Annotated Anodyne C#CCOc1ccccc1CN1CC[C@@H](N2CCc3cc(NC(=O)c4cc(C)on4)ccc32)C1 ZINC000045196185 JH Annotated Mild C#CCOc1ccccc1CN1CC[C@H](N2CCc3cc(NC(=O)c4cc(C)on4)ccc32)C1 ZINC000045196188 JH Annotated Mild COc1ccc(CN2CC[C@H](N3CC(c4ccccc4)(c4ccccc4)OCC3=O)C2)c(O)c1 ZINC000045196238 JH Annotated Clean COc1ccc(CN2CC[C@@H](N3CC(c4ccccc4)(c4ccccc4)OCC3=O)C2)c(O)c1 ZINC000045196240 JH Annotated Clean COc1ccc2ncc(F)c(CCN3[C@H]4CC[C@@H]3CC(NCc3cc5c(cn3)OCS5)C4)c2n1 ZINC000045196328 JH Annotated Anodyne CNC(=O)[C@@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045196451 JH Annotated Anodyne CNC(=O)[C@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045196454 JH Annotated Anodyne N=C(/N=C(\N)c1ccc(Cl)cc1)NCCCCCCNC(=N)NC(=N)c1ccc(Cl)cc1 ZINC000045201668 JH Annotated Mild COc1ccc2ncc(F)c(CCN3CCC(CNCc4cccc5c4OCO5)CC3)c2n1 ZINC000045202440 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC2=NC(C)(C)N(OCc3ccc(Cl)c(Cl)c3)C(=N)N2)cc1 ZINC000045202710 JH Annotated Anodyne CCOC(=O)NC1=NC(C)(C)N(OCc2ccc(Cl)c(Cl)c2)C(NC(=O)OCC)=N1 ZINC000045202819 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@@H](CNCc4ccc5c(c4C)OCCO5)C3)c2n1 ZINC000045226569 JH Annotated Anodyne CCCNc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cn1 ZINC000045227357 JH Annotated Anodyne CN(C)CCCNCCS(=O)(=O)c1cccc(Nc2ccc(-c3cccc(N(C)C)c3)cn2)c1 ZINC000045227424 JH Annotated Anodyne Cc1cc(-c2cccc(CNC3CCN(C)CC3)c2)ccc1S(=O)(=O)NCCc1ccccn1 ZINC000045228088 JH Annotated Anodyne Cn1ncc2c3c(CCN4CCC(NCc5cc6c(cn5)OCCO6)CC4)c(Cl)cnc3ccc21 ZINC000045229112 JH Annotated Anodyne COc1cc(F)c2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000045229158 JH Annotated Anodyne CN1CCC(NCc2cccc(-c3ccc(S(=O)(=O)NCCc4ccccn4)c(F)c3)c2)CC1 ZINC000045229692 JH Annotated Anodyne O=[N+]([O-])c1ccc(-n2ncc3c(O)nc(-c4ccc(Br)cc4)nc32)c([N+](=O)[O-])c1 ZINC000045245419 JH Annotated Bother N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCS1 ZINC000045245775 JH Annotated Reactive N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCS1 ZINC000045245776 JH Annotated Reactive N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCS1 ZINC000045245777 JH Annotated Reactive N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCS1 ZINC000045245778 JH Annotated Reactive Cc1cc(C)cc(Oc2c(CN3CCO[C@H](CC#N)C3)c(C)[nH]c(=O)c2I)c1 ZINC000045245808 JH Annotated Mild Cc1cc(C)cc(Oc2c(CN3CCO[C@@H](CC#N)C3)c(C)[nH]c(=O)c2I)c1 ZINC000045245809 JH Annotated Mild C/C(=N\NC(=O)c1sc(C(=O)N/N=C(\C)c2cccs2)c2c1OCCO2)c1cccs1 ZINC000045246034 JH Annotated Reactive CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccccc2[n+]1C ZINC000045253128 JH Annotated Anodyne CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C ZINC000045253207 JH Annotated Anodyne CCOC(=O)c1cc(-c2csc(-c3ccnc(NCCN(CC)CC)c3)n2)c(=O)[nH]c1C ZINC000045253957 JH Annotated Anodyne CCS(=O)(=O)Cc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000045254020 JH Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(N4CCN(C/C=C/c5ccccc5)CC4)ccc(c23)C1=O ZINC000045254142 JH Annotated Anodyne CC[C@H](C)[C@@H](N)C(=O)N1CC(=O)N(CCC[C@@H](C)Nc2cc(OC)cc3cccnc23)C1(C)C ZINC000045254590 JH Annotated Anodyne CC[C@H](C)[C@@H](N)C(=O)N1CC(=O)N(CCC[C@H](C)Nc2cc(OC)cc3cccnc23)C1(C)C ZINC000045254592 JH Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3ccc(N)n3)c(C)[nH]c(=O)c2I)c1 ZINC000045255924 JH Annotated Anodyne CCN1CCN(c2c(-c3nnc(S)n3CCOC)cnc3c(C(F)(F)F)cccc23)CC1 ZINC000045256669 JH Annotated Anodyne CCc1nc2c(o1)C(=O)C(Nc1ccc(I)cc1)=C(Br)C2=O ZINC000045257147 JH Annotated Mild CN(C)CCN1C(=O)c2cccc3c(N4CCN(C/C=C/c5ccc(C#N)cc5)CC4)ccc(c23)C1=O ZINC000045257828 JH Annotated Mild C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(N)cc1 ZINC000045258965 JH Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccco2)N(C)[C@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045283354 JH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OCCCN4CCOCC4)cc3)c1)C2 ZINC000045283657 JH Annotated Bother CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 ZINC000045284331 JH Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C(=O)N1C(=O)CCCc1ccccc1 ZINC000045285972 JH Annotated Anodyne Cc1cccc(C)c1COc1cc(NC(=O)Cc2cccnc2)ccc1N(C)S(C)(=O)=O ZINC000045286145 JH Annotated Anodyne Cc1cccc(C)c1COc1cc(NC(=O)Cc2ccccn2)ccc1N(C)S(C)(=O)=O ZINC000045286958 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045286999 JH Annotated Anodyne CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(c2cccc(C(C)(C)C)c2)CCCN(O)C1 ZINC000045287257 JH Annotated Anodyne CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CCCN(O)C1 ZINC000045287262 JH Annotated Anodyne Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)COc1ccccc1 ZINC000045287960 JH Annotated Mild Cc1ccc(C)c(COc2cc(NC(=O)Cc3cccnc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000045288244 JH Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)Cc3ccccn3)ccc2N(C)S(C)(=O)=O)c1 ZINC000045288247 JH Annotated Anodyne C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4c3ccc(F)cc3F)cc21 ZINC000045288907 JH Annotated Anodyne C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)O)CN4c3ccc(F)cc3F)cc21 ZINC000045288910 JH Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@H](N)CC(C)C)C2(C)C)c2ncccc2c1 ZINC000045289674 JH Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@H](N)CC(C)C)C2(C)C)c2ncccc2c1 ZINC000045289677 JH Annotated Anodyne COc1cc(O)cc2c1C(=O)c1c(O)cc(C)c3oc(=O)c(C(=O)c4c(C)cc(O)cc4O)c-2c13 ZINC000045289904 JH Annotated Anodyne O=C(CCN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CCN4CCCC4)c3nc12 ZINC000045290164 JH Annotated Bother COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 ZINC000045290537 JH Annotated Anodyne CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 ZINC000045291291 JH Annotated Anodyne COc1cc(OC[C@H](COC(C)=O)OC(C)=O)cc2c1c(=O)c1cc3ccccc3cc1n2C ZINC000045291660 JH Annotated Bother COc1cc(OC[C@@H](COC(C)=O)OC(C)=O)cc2c1c(=O)c1cc3ccccc3cc1n2C ZINC000045291664 JH Annotated Bother CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000045291793 JH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000045291796 JH Annotated Anodyne O=C1CN(Cc2ccc(CNCc3ccccn3)cc2)CCc2cccc(n2)CCCCCN1 ZINC000045299104 JH Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cnc(C)n3)c(C)[nH]c(=O)c2I)c1 ZINC000045299485 JH Annotated Anodyne CNC(=O)CSCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000045299487 JH Annotated Anodyne CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 ZINC000045299710 JH Annotated Anodyne O=C(CN1CCCCC1)NCc1cccc2cc3cccc(CNC(=O)CN4CCCCC4)c3nc12 ZINC000045299730 JH Annotated Bother CC1(C)O[C@@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccco3)CC(=O)[C@H]3O[C@]321 ZINC000045299969 JH Annotated Anodyne CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc(C)[nH]n3)cc2)o1)C1CCCCC1 ZINC000045300183 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3[C@H]4CC[C@@H]3CC(NCc3ccc5c(c3)OCCO5)C4)c2n1 ZINC000045301363 JH Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(CO)(NCc4cc5ccccc5o4)CC3)c2c1 ZINC000045301634 JH Annotated Anodyne N[C@@H](Cc1ccccc1)C(=O)N1CCn2c(nc(-c3ccccc3)c2Nc2ccc3c(c2)OCO3)C1 ZINC000045302120 JH Annotated Anodyne N[C@H](Cc1ccccc1)C(=O)N1CCn2c(nc(-c3ccccc3)c2Nc2ccc3c(c2)OCO3)C1 ZINC000045302122 JH Annotated Anodyne CCC[C@@H](C(=O)NC(C)(C)C)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1c1ccccc1 ZINC000045302193 JH Annotated Anodyne CCC[C@H](C(=O)NC(C)(C)C)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1c1ccccc1 ZINC000045302194 JH Annotated Anodyne COc1ccc(CNC2CCCC2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045302258 JH Annotated Anodyne COc1cc(F)c2nccc([C@@H](O)CN3CC[C@H](NC(=O)OCc4ccccc4)[C@H](F)C3)c2c1 ZINC000045302278 JH Annotated Anodyne COc1cc(F)c2nccc([C@@H](O)CN3CC[C@@H](NC(=O)OCc4ccccc4)[C@H](F)C3)c2c1 ZINC000045302279 JH Annotated Anodyne Cc1cc(N2CCN(CC3CCN(C)CC3)CC2)nc(Nc2ccc(Br)cc2)n1 ZINC000045302851 JH Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3cncn3)c(C)[nH]c(=O)c2I)c1 ZINC000045303299 JH Annotated Anodyne C[C@@H](c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 ZINC000045314625 JH Annotated Anodyne C[C@H](c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 ZINC000045314630 JH Annotated Anodyne CC(C)CN([C@@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000045314936 JH Annotated Anodyne CC(C)CN([C@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000045314940 JH Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3ccnn3)c(C)[nH]c(=O)c2I)c1 ZINC000045315306 JH Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)CO[C@H]12 ZINC000045315862 JH Annotated Anodyne O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1n1cnc2c(cnn2-c2ccccc2)c1=O ZINC000045316171 JH Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(OCCCN4CCOCC4)c3)c1)C2 ZINC000045316787 JH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc1)C2 ZINC000045317574 JH Annotated Bother C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(O)cc1 ZINC000045318914 JH Annotated Mild Cc1cc(C)cc(Oc2c(Cn3cnc(C#N)c3C#N)c(C)[nH]c(=O)c2I)c1 ZINC000045319428 JH Annotated Mild O=C(NCc1ccco1)[C@H]1CCCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)C1 ZINC000045319733 JH Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)C1 ZINC000045319738 JH Annotated Anodyne Cc1cc(N2CCC(NS(=O)(=O)c3cccc4cccnc34)CC2)nc(Nc2cccc(C#N)c2)n1 ZINC000045320171 JH Annotated Mild CCN(CC)C(=O)c1c(N2CCN(Cc3ccccc3)CC2)c2cccnc2n2c(C)cnc12 ZINC000045320304 JH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)C(C)C ZINC000045321675 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@@H](CNCc4ccc5ccccc5c4)C3)c2n1 ZINC000045321753 JH Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@H](CNCc4ccc5ccccc5c4)C3)c2n1 ZINC000045321756 JH Annotated Anodyne CN1CCN(CC2(Nc3nccc(NCCc4cn(C)c5ccccc45)n3)CCCCC2)CC1 ZINC000045322910 JH Annotated Anodyne COc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(c4)NCCS5)CC3)c2n1 ZINC000045323044 JH Annotated Anodyne COc1cc(F)c2ncc(C#N)c(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2c1 ZINC000045323721 JH Annotated Mild COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1 ZINC000045324921 JH Annotated Anodyne COc1ccc(Cl)c2sc(N/C(O)=N/S(=O)(=O)c3cc(C)c(CCO)s3)nc12 ZINC000045336089 JH Annotated Mild COCCCc1sc(S(=O)(=O)/N=C(\O)Nc2ncc(Br)s2)cc1C ZINC000045336330 JH Annotated Mild CN(C)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 ZINC000045337948 JH Annotated Anodyne CC(C)CCOc1cc(CN(CCC(=O)O)c2cccc(CCC(N)=O)c2)cc(OCCCN)c1 ZINC000045337986 JH Annotated Anodyne CC(C)CCOc1cc(CN(CCC(N)=O)c2cccc(CCC(=O)O)c2)cc(OCCCN)c1 ZINC000045337988 JH Annotated Anodyne COC(=O)NCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1 ZINC000045338016 JH Annotated Anodyne O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCN2)CC1 ZINC000045338913 JH Annotated Anodyne COC(=O)c1c(S(=O)(=O)N2CCCC2)sc2c1CCN(CC[C@H](C)c1ccccc1)C2 ZINC000045339253 JH Annotated Anodyne COC(=O)c1c(S(=O)(=O)N2CCCC2)sc2c1CCN(CC[C@@H](C)c1ccccc1)C2 ZINC000045339255 JH Annotated Anodyne CCC(=O)OCc1c(COC(=O)CC)c(OC)c2c(c1OC)C(=O)C(Cl)=C(Cl)C2=O ZINC000045339408 JH Annotated Mild CC(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 ZINC000045340094 JH Annotated Anodyne COc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)C(C)(C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000045347370 JH Annotated Mild COc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)C(C)(C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000045347373 JH Annotated Mild COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\N3C(=O)CNC3=S)C2(C)C)cc1 ZINC000045347376 JH Annotated Mild COc1ccc([C@H]2C/C(=N\N3C(=O)CNC3=S)C(C)(C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000045347379 JH Annotated Mild O=C(NCCC/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1O ZINC000045348381 JH Annotated Mild C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C ZINC000045349111 JH Annotated Anodyne COc1cc(OC)c(C(=O)/C=C/c2ccccc2Br)c(O)c1CN1CCN(C)CC1 ZINC000045350728 JH Annotated Mild COc1cc(OC)c(C(=O)/C=C/c2ccccc2Br)c(O)c1CN1CCOCC1 ZINC000045350881 JH Annotated Mild O=C1C=C(/C=C/c2ccc(O)c(O)c2)[C@@H]2C(=O)[C@H]1[C@H](c1ccc(O)c(O)c1)[C@H]2c1cc(O)cc(O)c1 ZINC000045352135 JH Annotated Mild CCN(CC)C(=O)OC1=CC2=C3c4ccc(OC(=O)N(CC)CC)cc4OC[C@@]3(O)CC2=CC1=O ZINC000045357266 JH Annotated Mild CCN(CC)C(=O)OC1=CC2=C3c4ccc(OC(=O)N(CC)CC)cc4OC[C@]3(O)CC2=CC1=O ZINC000045357269 JH Annotated Mild COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1Cl ZINC000045358662 JH Annotated Anodyne CC(C)CCOC(=O)c1cc2c([nH]c3ccc(O)cc32)c(-c2ccc3c(n2)C(=O)C(N)=CC3=O)n1 ZINC000045365661 JH Annotated Mild CC(=O)c1c(O)c(C(C)=O)c(O)c(C(c2ccco2)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c1O ZINC000045367940 JH Annotated Anodyne Cc1n[nH]c(C)c1-c1ccc(C)c2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c12 ZINC000045373897 JH Annotated Anodyne CCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000045384349 JH Annotated Mild CCC(=O)OC1=CC2=C3c4ccc(OC(=O)CC)cc4OC[C@@]3(OC(=O)CC)CC2=CC1=O ZINC000045384891 JH Annotated Mild CCC(=O)OC1=CC2=C3c4ccc(OC(=O)CC)cc4OC[C@]3(OC(=O)CC)CC2=CC1=O ZINC000045384896 JH Annotated Mild CC(C)CC(=O)c1c(O)c(C=O)c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000045389085 JH Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)c(Br)c1 ZINC000045394247 JH Annotated Anodyne CCOc1ccc(C(=O)N(CCN(C)C)c2ccnc3cc4c(cc23)OCO4)cc1OCC ZINC000045484158 JH Annotated Anodyne C=C(C)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000045495204 JH Annotated Mild COC(=O)[C@@H]1C[C@]2(Br)c3ccccc3N3C(=N)[C@](Cc4ccccc4)(N4CCCC4)N1[C@@H]32 ZINC000045496829 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Br)c3ccccc3N3C(=N)[C@](Cc4ccccc4)(N4CCCC4)N1[C@H]32 ZINC000045497218 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Br)c3cc(Br)ccc3N3C(=N)[C@H](C(C)(C)C)N1[C@H]32 ZINC000045497408 JH Annotated Anodyne CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccc(C=O)cc5)cc43)cc2)CC1 ZINC000045498380 JH Annotated Anodyne C=Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000045498573 JH Annotated Anodyne COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cc(C)ccc2C)C(C)(C)C)cc1OC ZINC000045498629 JH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cc(C)ccc2C)C(C)(C)C)cc1OC ZINC000045498631 JH Annotated Mild C[C@@H]1CN(CC2(c3ccncc3)CCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000045505895 JH Annotated Anodyne Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)c(C)c1 ZINC000045987605 JH Annotated Anodyne in-vitro N#Cc1cccc(CN2C(=O)N(Cc3cccc(Br)c3)S(=O)(=O)n3cccc32)c1 ZINC000473081245 JH Annotated Mild Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1cccc(Cl)c1 ZINC000473081771 JH Annotated Anodyne N#Cc1ccccc1CN1C(=O)N(Cc2cccc(Br)c2)S(=O)(=O)n2cccc21 ZINC000473082047 JH Annotated Mild O=C1N(Cc2ccc(Br)cc2)c2ccc(Br)cc2[C@@]12Cn1nncc1CO2 ZINC000473083084 JH Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(Br)cc2[C@]12Cn1nncc1CO2 ZINC000473083095 JH Annotated Anodyne Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1ccccc1Cl ZINC000473083270 JH Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@@H](C(=O)O)[C@H](O)C2)c2ccccn12 ZINC000473083954 JH Annotated Anodyne N#Cc1cccc(COc2ccc3c(c2Br)CN2C(=O)CN(C4CCCC4)C(=O)[C@H]2C3)c1 ZINC000473087979 JH Annotated Mild CC(C)(C)c1nc2ncccn2c1CN1CCN(Cc2c(C(C)(C)C)nc3ncccn23)CC1 ZINC000473088485 JH Annotated Anodyne COc1ccc(-c2cn([C@]3(C(C)C)Oc4cc5oc(=O)ccc5cc4C3=O)nn2)c(OC)c1OC ZINC000473089042 JH Annotated Anodyne COc1ccc(-c2cn([C@@]3(C(C)C)Oc4cc5oc(=O)ccc5cc4C3=O)nn2)c(OC)c1OC ZINC000473089045 JH Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1 ZINC000473089362 JH Annotated Mild CCN1C(=S)N2CCC[C@H]2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1 ZINC000473089363 JH Annotated Mild CN=c1nc(NCCCN2CCOCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473090560 JH Annotated Anodyne Cc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c3nc(O)c(C)cc23)c1 ZINC000473096087 JH Annotated Anodyne Cc1c(CNC(=O)c2ccc(F)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(F)cc1)CCC2 ZINC000473096136 JH Annotated Anodyne Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccc(O)cc3)N2)cc1 ZINC000473099461 JH Annotated Anodyne CS(=O)(=O)c1cnc(O[C@@H]2CC[C@@H](OC3CCN(CC4(C(F)(F)F)CCC4)CC3)CC2)cn1 ZINC000473104890 JH Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@H](C(=O)O)[C@@H](O)C2)c2ccccn12 ZINC000473104909 JH Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CCC(O)(C(=O)O)CC2)c2ccccn12 ZINC000473105989 JH Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@@H](c1cccc(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473107167 JH Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@H]2C(C)C)cc1 ZINC000473107459 JH Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@@H]2C(C)C)cc1 ZINC000473107460 JH Annotated Anodyne Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccc(O)cc5)N4C[C@@H]3Cc3ccccc3)N2)cc1 ZINC000473108254 JH Annotated Anodyne Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccccc1Br ZINC000473108876 JH Annotated Clean C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(C(C)(C)COC)c3)ncc2Cl)c1 ZINC000473109116 JH Annotated Anodyne CCN1C(=O)N(Cc2ccc(OC)cc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473109461 JH Annotated Clean CCN1C(=O)N(Cc2ccc(C#N)cc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473110122 JH Annotated Mild CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Br)ccc3O)CC2)C1=O ZINC000473110358 JH Annotated Clean C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(C4CCOCC4)c3)ncc2Cl)c1 ZINC000473110444 JH Annotated Anodyne C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CCOC(C)C)c3)ncc2Cl)c1 ZINC000473110905 JH Annotated Anodyne CC(C)(C)OC(=O)NCCNC(=O)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473111338 JH Annotated Anodyne O=C1Nc2ccccc2[C@@]12N1CSC[C@@H]1[C@@H](c1ccccc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473111491 JH Annotated Anodyne CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4cc(C(=O)OCC)ccc4O)c3cc21 ZINC000473112240 JH Annotated Anodyne CN(C)C(=O)Cc1nn(-c2ccc(OCC#CCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C ZINC000473112846 JH Annotated Mild CN(C)CCNC(=O)c1csc2nc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)cn12 ZINC000473112937 JH Annotated Anodyne O=C(NCCNC(=O)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1)c1ccccc1 ZINC000473113708 JH Annotated Anodyne COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)C(=O)N1CCCC[C@H]1C3 ZINC000473114031 JH Annotated Bother COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)C(=O)N1CCCC[C@@H]1C3 ZINC000473114037 JH Annotated Bother COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccc(C#N)cc23)n1 ZINC000473114680 JH Annotated Mild CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](C#N)Cc1ccc(=N)[nH]c1 ZINC000473115862 JH Annotated Mild CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](C#N)Cc1ccc(=N)[nH]c1 ZINC000473115863 JH Annotated Mild CC(C)[C@@H](CN1CCC(C)(c2cccc(F)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000473117363 JH Annotated Anodyne COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)N(C)CCc4cccc(F)c4)cc3C2)c1 ZINC000473121890 JH Annotated Anodyne CCN(CC)C(=O)Oc1cc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473122480 JH Annotated Anodyne CCN(CC)C(=O)Oc1cc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473122483 JH Annotated Anodyne O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cc([N+](=O)[O-])ccc2C(=O)O1 ZINC000473123233 JH Annotated Mild O=C(Cn1c(=O)ccn(CCCCCOc2ccc(Br)cc2)c1=O)Nc1ccccc1 ZINC000473123265 JH Annotated Anodyne CCN(CC)c1cccc(C#Cc2cc(O[C@@H](C)COC)cc(C(=O)N=c3ccn(C)[nH]3)c2)c1 ZINC000473124804 JH Annotated Mild NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc([C@H](O)CO)n3)cc2C1 ZINC000473124994 JH Annotated Anodyne O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc([N+](=O)[O-])c2C(=O)O1 ZINC000473127255 JH Annotated Mild O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000473130615 JH Annotated Bother O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]c(C4CC4)c3c2)c1F)c1cccnc1 ZINC000473131985 JH Annotated Mild O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000473132694 JH Annotated Bother O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccncc4)c3c2)c1F)c1cccnc1 ZINC000473133088 JH Annotated Mild CC(=O)Nc1ncc(S(=O)(=O)NCCCN2c3ccccc3CCc3ccccc32)s1 ZINC000473134027 JH Annotated Anodyne O=S(=O)(NCCCN1c2ccccc2CCc2ccccc21)c1ccc(N2CCOCC2)cn1 ZINC000473134388 JH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](CN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)ON1C ZINC000473135134 JH Annotated Bother CCOP(=O)(OCC)[C@@H]1C[C@@H](CN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)ON1C ZINC000473135136 JH Annotated Bother CC1=C(C(N)=O)[C@H](c2cccc(OC(F)(F)F)c2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135174 JH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2cccc(OC(F)(F)F)c2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135175 JH Annotated Anodyne COc1cc(N2CCC(Nc3ncc4c(n3)N(c3cc(F)c(F)c(F)c3)CCO4)CC2)ccn1 ZINC000473135256 JH Annotated Anodyne NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135292 JH Annotated Anodyne NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135293 JH Annotated Anodyne COc1cccc2c1/C(=N/C[C@@]1(c3ccccc3)CC[C@@H](Nc3ncccn3)CC1)NS2(=O)=O ZINC000473135345 JH Annotated Mild CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2oc(=O)n(CCc3ccccc3)c12 ZINC000473135390 JH Annotated Anodyne CSc1ccc(CSC2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccc(N(C)C)cc4)N3N2)cc1 ZINC000473135504 JH Annotated Clean CSc1ccc(CSC2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccc(N(C)C)cc4)N3N2)cc1 ZINC000473135505 JH Annotated Clean C[C@@](O)(c1cnc(-c2ccc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1)C(F)(F)F ZINC000473135761 JH Annotated Anodyne COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(F)cc3F)CCO4)CC2)ccn1 ZINC000473135819 JH Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135828 JH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135829 JH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](CN2C(=O)c3cccc4cc(NC(C)=O)cc(c34)C2=O)ON1C ZINC000473135896 JH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](CN2C(=O)c3cccc4cc(NC(C)=O)cc(c34)C2=O)ON1C ZINC000473135897 JH Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC=C5C[C@@H](OC=O)CC[C@@]54C)[C@@H]3C[C@H](O)[C@@H]1[C@]2(C)O ZINC000473135901 JH Annotated Anodyne COc1cc(N2CCC(Nc3ncc4c(n3)N(c3cc(F)cc(F)c3)CCO4)CC2)ccn1 ZINC000473136017 JH Annotated Anodyne CCN(CC)CCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473136334 JH Annotated Anodyne CCN(CC)CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473136335 JH Annotated Anodyne Cc1cn([C@H]2C[C@H](NC(=O)c3c[nH]c4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473136338 JH Annotated Reactive N=c1ccc(S(=O)(=O)c2csc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)n2)c[nH]1 ZINC000473136356 JH Annotated Anodyne C[C@](O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1)C(F)(F)F ZINC000473136654 JH Annotated Anodyne C[C@@](O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1)C(F)(F)F ZINC000473136656 JH Annotated Anodyne N=c1ccc(S(=O)(=O)c2cnc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)s2)c[nH]1 ZINC000473136928 JH Annotated Anodyne CC#Cc1cc([C@](C)(O)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(=N)[nH]c2)s1 ZINC000473137198 JH Annotated Mild CC#Cc1cc([C@@](C)(O)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(=N)[nH]c2)s1 ZINC000473137199 JH Annotated Mild CCO[C@H]1O[C@H](OC)[C@@]23CCC[C@]1(C(=O)OC)[C@@H]2CC[C@@H]1[C@@H]3C[C@@]2(OCC)OC(=O)C=C2[C@@H]1C ZINC000473144204 JH Annotated Anodyne CCO[C@H]1O[C@@H](OC)[C@@]23CCC[C@]1(C(=O)OC)[C@@H]2CC[C@@H]1[C@@H]3C[C@@]2(OCC)OC(=O)C=C2[C@@H]1C ZINC000473144208 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473144711 JH Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)NCc3ccccn3)cc2)C(=O)c2ccccc21 ZINC000473145125 JH Annotated Mild O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)NCCc3ccccn3)cc2)C(=O)c2ccccc21 ZINC000473145177 JH Annotated Mild CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2 ZINC000473145355 JH Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000473145398 JH Annotated Anodyne CCOc1ccc2nc(SC[C@]3(C)S[C@@H]4[C@@H](Cl)C(=O)N4[C@H]3C(=O)OC)sc2c1 ZINC000473145472 JH Annotated Reactive COc1cc(C(F)(F)F)ccc1COC[C@@H](O)CN1CCC(N2Cc3ccccc3C2=O)CC1 ZINC000473145518 JH Annotated Anodyne COc1cc(C(F)(F)F)ccc1COC[C@H](O)CN1CCC(N2Cc3ccccc3C2=O)CC1 ZINC000473145526 JH Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(F)cc2c1=Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000473146003 JH Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(F)cc2c1=Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473147774 JH Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(OC)cc2c1=Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473149857 JH Annotated Anodyne CCO[C@@H]1O[C@H](OC)[C@]2(C(=O)OC)CCC[C@@]13[C@H]1C[C@@]4(OCC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000473151289 JH Annotated Anodyne CCO[C@@H]1O[C@@H](OC)[C@]2(C(=O)OC)CCC[C@@]13[C@H]1C[C@@]4(OCC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000473151290 JH Annotated Anodyne CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc([C@@H](C)O)c(C(F)(F)F)n1 ZINC000473152147 JH Annotated Anodyne CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc([C@H](C)O)c(C(F)(F)F)n1 ZINC000473152148 JH Annotated Anodyne CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc([C@@H](C)O)c(C(F)(F)F)n1 ZINC000473152149 JH Annotated Anodyne CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc([C@H](C)O)c(C(F)(F)F)n1 ZINC000473152150 JH Annotated Anodyne O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1F)c1ccco1 ZINC000473153290 JH Annotated Reactive O=C1C(Cl)=C(Nc2cccc(S(=O)(=O)NCc3ccccn3)c2)C(=O)c2ccccc21 ZINC000473153924 JH Annotated Mild CCCCc1cnc(N)c(-c2nc(=Nc3ccc4c(c3)oc(=O)n4COCC[Si](C)(C)C)[nH]o2)n1 ZINC000473154215 JH Annotated Anodyne COc1ccccc1NC(=O)c1c(NCCO)cc(-c2ccc(Br)cc2)oc1=O ZINC000473154330 JH Annotated Anodyne O=C1O/C(=C\Cn2cnc3cc[nH]c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154608 JH Annotated Anodyne Nc1ncc(C2CC2)nc1C/N=C(/NC(=O)c1ccc(Cl)cc1)Nc1ccc2nc(O)oc2c1 ZINC000473154687 JH Annotated Mild O=S1(=O)[C@H](c2ccccc2)CCCCN1Cc1cc(F)c(N2C[C@H]3[C@H](n4cnnc4)[C@H]3C2)cc1F ZINC000473154793 JH Annotated Clean COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(O)cc2)S3)cc(OC)c1OC ZINC000473154799 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(O)cc2)S3)cc(OC)c1OC ZINC000473154800 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(O)cc2)S3)cc(OC)c1OC ZINC000473154801 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(O)cc2)S3)cc(OC)c1OC ZINC000473154802 JH Annotated Anodyne COc1ccccc1NC(=O)c1c(NCCO)cc(-c2cccc(Br)c2)oc1=O ZINC000473154811 JH Annotated Anodyne O=C1N[C@@](O)(CCn2cnc3ccnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473155000 JH Annotated Anodyne O=C1N[C@](O)(CCn2cnc3ccnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473155001 JH Annotated Anodyne CC(C)COc1ncc(N2C(=O)C3(CC3)c3cc4c(NS(C)(=O)=O)noc4cc32)cc1Cl ZINC000473155011 JH Annotated Anodyne O=C1C(Cl)=C(Nc2cccc(S(=O)(=O)NCCc3ccccn3)c2)C(=O)c2ccccc21 ZINC000473155148 JH Annotated Mild COc1ccc(NC(=O)c2c(NCCO)cc(-c3ccc(Br)cc3)oc2=O)cc1 ZINC000473155189 JH Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2[C@@H]3C[C@H]3CN2c2ccccc2)cc1Cl ZINC000473155218 JH Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2[C@H]3C[C@H]3CN2c2ccccc2)cc1Cl ZINC000473155225 JH Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCC(=O)O)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000473155232 JH Annotated Anodyne CC(C)(C)OC(=O)NCCCCNC(=O)CC1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000473155245 JH Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2nccc(C(F)(F)F)n2)C3)n1 ZINC000473162814 JH Annotated Anodyne NC(=O)c1nc(Nc2ccc3cc(F)ccc3c2)sc1NC(=O)c1ccc(NCCO)cc1 ZINC000473164850 JH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H](C)N)CC1 ZINC000473164860 JH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@H](C)N)CC1 ZINC000473164861 JH Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000473164919 JH Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)CO)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 ZINC000473164958 JH Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccc(F)cc3c2)sc1NC(=O)CCCCCN1CCOCC1 ZINC000473164972 JH Annotated Anodyne CN(C)CCNc1ccc(C(=O)Nc2sc(=Nc3ccc4ccccc4c3)[nH]c2C(N)=O)cc1 ZINC000473165248 JH Annotated Anodyne COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccc(NCCO)cc4)s3)ccc2c1 ZINC000473165272 JH Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000473165292 JH Annotated Anodyne COC1CN(c2ccc(C(=O)NC(C)(C)Cc3nnc(-c4ccc(F)cc4)o3)nc2OCC2CC2)C1 ZINC000473168088 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccco2)S3)cc(OC)c1OC ZINC000473169138 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccco2)S3)cc(OC)c1OC ZINC000473169151 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccco2)S3)cc(OC)c1OC ZINC000473169157 JH Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccco2)S3)cc(OC)c1OC ZINC000473169159 JH Annotated Anodyne CC/C(C)=C/C(=O)O[C@H](C(=O)[C@@H](O)[C@@]1(C)CC[C@@H](C(C)(C)/C=C/[C@@H](C)C(=O)O)O1)[C@H](C)CC(=O)O ZINC000473169838 JH Annotated Anodyne CC/C(C)=C/C(=O)O[C@H](C(=O)[C@@H](O)[C@@]1(C)CC[C@@H](C(C)(C)/C=C/[C@H](C)C(=O)O)O1)[C@H](C)CC(=O)O ZINC000473169840 JH Annotated Anodyne CC/C(C)=C/C(=O)O[C@H](C(=O)[C@@H](O)[C@@]1(C)CC[C@@H](C(C)(C)/C=C/[C@@H](C)C(=O)O)O1)[C@@H](C)CC(=O)O ZINC000473169842 JH Annotated Anodyne CC/C(C)=C/C(=O)O[C@H](C(=O)[C@@H](O)[C@@]1(C)CC[C@@H](C(C)(C)/C=C/[C@H](C)C(=O)O)O1)[C@@H](C)CC(=O)O ZINC000473169844 JH Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1cccc(C(F)(F)F)n1)C2 ZINC000473170667 JH Annotated Anodyne COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1 ZINC000473171325 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(Br)cn2)C3)n1 ZINC000473171532 JH Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnc(CO)c2)cc1 ZINC000473179074 JH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ncc(C(F)(F)F)cn2)C3)n1 ZINC000473179243 JH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@H]4CN(CC(=O)N(C)C)C[C@@H]4C3)cc12 ZINC000473179309 JH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@H]4CN(CC(=O)N(C)C)C[C@H]4C3)cc12 ZINC000473179310 JH Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c1-c1ncccn1 ZINC000473179372 JH Annotated Anodyne CCOc1ncc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179379 JH Annotated Anodyne CN(c1cnc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc(F)c1-c1ncccn1 ZINC000473179390 JH Annotated Anodyne CN(c1cnc(C(F)(F)F)cn1)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc(F)c1-c1ncccn1 ZINC000473179391 JH Annotated Anodyne COCCS(=O)(=O)N1C[C@H]2CC(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)=C[C@H]2C1 ZINC000473179392 JH Annotated Anodyne COCCS(=O)(=O)N1C[C@@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@H]2C1 ZINC000473179393 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](Oc1ncc(C(F)(F)F)cn1)C2 ZINC000473179400 JH Annotated Anodyne COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@@H]4CN(S(C)(=O)=O)C[C@H]4C3)cc12 ZINC000473179545 JH Annotated Mild COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@H]4CN(S(C)(=O)=O)C[C@H]4C3)cc12 ZINC000473179546 JH Annotated Mild COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@H]4CN(CC(=O)N(C)C)C[C@H]4C3)cc12 ZINC000473179583 JH Annotated Mild COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=C[C@H]4CN(CC(=O)N(C)C)C[C@@H]4C3)cc12 ZINC000473179584 JH Annotated Mild O=C(c1cccc(F)c1-c1ccncc1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179587 JH Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c1-c1cccnn1 ZINC000473179594 JH Annotated Anodyne CCOc1ccc2cccnc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179598 JH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000473179600 JH Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(NC(=O)C(C)(C)F)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198589 JH Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(NC(=O)C(C)(C)F)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198590 JH Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(NC(=O)C(C)(C)F)cc3[C@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198591 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473210158 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473210159 JH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(=NCCN(C)C)[nH]c1 ZINC000473213491 JH Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(S(C)(=O)=O)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 ZINC000473213526 JH Annotated Anodyne COc1ccc(COc2cc(F)c(Cn3cnc4cc(N5CCN(C)CC5)ccc43)cc2OC)cn1 ZINC000473215178 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5cccnc5)cnc43)cc2OC)cn1 ZINC000473215191 JH Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1csc(C)n1 ZINC000473215222 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5)ccc43)cc2OC)cn1 ZINC000473215287 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1 ZINC000473215300 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccncc5)cnc43)cc2OC)cn1 ZINC000473215452 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC[C@H]5C(=O)O)cnc43)cc2OC)cn1 ZINC000473215463 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5c(C)nn(C)c5C)cnc43)cc2OC)cn1 ZINC000473215473 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(C5=C[C@@]6(O)CCCN5C6)cnc43)cc2OC)cn1 ZINC000473215492 JH Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccccn5)cnc43)cc2OC)cn1 ZINC000473215524 JH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2[C@H]3CC4C[C@H]2CC(Cl)(C4)C3)cc1F ZINC000473219270 JH Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1 ZINC000473229062 JH Annotated Mild CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)C(N)=O)c3ccccc3)C2=O)cc1 ZINC000473240685 JH Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)C(N)=O)c3ccccc3)C2=O)cc1 ZINC000473240686 JH Annotated Anodyne CCN1CCC[C@H]1CNc1ccc(NC[C@H]2CCCN2CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000473243985 JH Annotated Clean CCN1CCC[C@@H]1CNc1ccc(NC[C@H]2CCCN2CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000473243986 JH Annotated Clean CCN1CCC[C@H]1CNc1ccc(NC[C@@H]2CCCN2CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000473243987 JH Annotated Clean Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3)cc(N(C)[C@@H]3CC[C@H](N)CC3)c2C)c(O)n1 ZINC000473245316 JH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000473247191 JH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000473247192 JH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000473247193 JH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000473247194 JH Annotated Anodyne COc1ccc(C(=O)c2cn(CC(=O)Nc3c(C(F)(F)F)n[nH]c3-c3ccccc3)nn2)cc1 ZINC000473247450 JH Annotated Anodyne CC(=O)OCCC[C@H](C)C1=C(C)C[C@H]2OC(=O)[C@@H](CSCCO)[C@H]2[C@@H]1OC(=O)c1ccccc1 ZINC000473247531 JH Annotated Anodyne CC(=O)OCCC[C@H](C)C1=C(C)C[C@H]2OC(=O)[C@H](CSCCO)[C@H]2[C@@H]1OC(=O)c1ccccc1 ZINC000473247532 JH Annotated Anodyne COc1cccc(NCc2cn(CC(=O)Nc3c(C(F)(F)F)n[nH]c3-c3ccccc3)nn2)c1 ZINC000473247742 JH Annotated Anodyne COC(=O)[C@H](C)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 ZINC000473248092 JH Annotated Reactive Cc1cc(C)nc(NC(=S)N2CCN([S@@+](=O)(O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000473248212 JH Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)COc3ccc(C(C)=O)cc3)[C@H]12 ZINC000473248310 JH Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)COc3cccc(C(C)=O)c3)[C@H]12 ZINC000473249327 JH Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000473249639 JH Annotated Mild O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO ZINC000474604782 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncc[nH]c2=NCC(=O)O)cc1 ZINC000474606895 JH Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)CC3=O ZINC000474609147 JH Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncc[nH]c2=NCCO)cc1 ZINC000474609279 JH Annotated Anodyne CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1 ZINC000474609677 JH Annotated Anodyne O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23 ZINC000474609682 JH Annotated Anodyne CC1=NOC(=O)/C1=C/c1c(COCc2cn(Cc3ccc(C#N)cc3)nn2)n(C)c2ccc(F)cc12 ZINC000474609784 JH Annotated Mild CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc2O1 ZINC000049000334 JH Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccn2)s1 ZINC000049000336 JH Annotated Anodyne Cc1cc(Cl)ccc1-c1cccc(S(=O)(=O)N[C@H]2CC[C@H](n3cc(F)c(N)nc3=O)C2)c1 ZINC000049021247 JH Annotated Anodyne C/C=C(\C)C(=O)[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)C[C@@H](C)[C@H]1O ZINC000049021820 JH Annotated Mild CCOC[C@]1(CN2CCN(c3ccccc3)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049031362 JH Annotated Anodyne CCOC[C@@]1(CN2CCN(c3ccccc3)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049031365 JH Annotated Anodyne CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O ZINC000049031706 JH Annotated Anodyne COC(=O)c1ccc2c(=O)n(Nc3nc(C)cc(C)n3)[n+](SCc3cccc(Cl)c3)cc2c1 ZINC000049031952 JH Annotated Anodyne O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(CCc3ccccc3)n[nH]c2c1=O)c1ccccc1 ZINC000049033107 JH Annotated Bother C[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3ncc(-c4ccncc4)s3)cc2)n1 ZINC000049034647 JH Annotated Anodyne Cc1noc(C)c1CN1[C@H](c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049035351 JH Annotated Anodyne Cc1noc(C)c1CN1[C@@H](c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049035353 JH Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc21 ZINC000049036497 JH Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc21 ZINC000049036499 JH Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)[C@H](C)CS4)c(N)cc2C1 ZINC000049036913 JH Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)[C@@H](C)CS4)c(N)cc2C1 ZINC000049036915 JH Annotated Mild CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)C(=O)[C@H](C)CS4)c2C)C1 ZINC000049037046 JH Annotated Mild CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)C(=O)[C@@H](C)CS4)c2C)C1 ZINC000049037048 JH Annotated Mild CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N/O)CCS4)c2C)C1 ZINC000049037050 JH Annotated Mild O=C1CCc2ccc(CC3C[C@@H]4CC[C@H](C3)N4C[C@@H]3COc4c(ccc5c4CC(=O)N5)O3)cc2N1 ZINC000049050565 JH Annotated Anodyne COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC ZINC000049053569 JH Annotated Anodyne COc1cc2cc(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(=O)oc2cc1O ZINC000049055378 JH Annotated Anodyne N#Cc1cccc(-c2nnc(NCCCN3CCN(c4ncccn4)CC3)c3cc4ccccn4c23)c1 ZINC000049066691 JH Annotated Mild O=C(c1cnccn1)N1CCN(CCCNc2nnc(-c3ccccc3)c3c2cc2ccccn23)CC1 ZINC000049067887 JH Annotated Anodyne O=C(NCc1ccc(F)cc1)N(c1ccc(Br)cc1)C1CCN(CCO)CC1 ZINC000049068182 JH Annotated Anodyne O=C(COc1cccc(F)c1C(=O)NCCC1=CCCCC1)N[C@H](CO)Cc1ccccc1 ZINC000049068255 JH Annotated Anodyne O=C(COc1cccc(F)c1C(=O)N[C@H](CO)Cc1ccccc1)NCCC1=CCCCC1 ZINC000049068891 JH Annotated Anodyne O=C(COc1cccc(F)c1C(=O)NCCC1CCCCC1)N[C@H](CO)Cc1ccccc1 ZINC000049068893 JH Annotated Anodyne CN1CCN(C(=O)c2ccc(-c3ccnc4c3c(/C=C3\Oc5cccc(O)c5C3=O)cn4C)cc2)CC1 ZINC000049069252 JH Annotated Mild COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(O)c3C1=O)c(C)n2CCCN1CCN(C)CC1 ZINC000049070680 JH Annotated Mild CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 ZINC000049071075 JH Annotated Anodyne O=C(COc1cccc(F)c1C(=O)N1CC[C@H](c2ccccc2)C1)N[C@H](CO)Cc1ccccc1 ZINC000049071663 JH Annotated Anodyne O=C(COc1cccc(F)c1C(=O)N1CC[C@@H](c2ccccc2)C1)N[C@H](CO)Cc1ccccc1 ZINC000049071665 JH Annotated Anodyne C[C@H](Nc1nccc(N(CCCS(C)(=O)=O)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 ZINC000049072841 JH Annotated Anodyne O=C(COc1cccc(F)c1C(=O)NCCC1=CCCCC1)N[C@@H](CO)Cc1ccccc1 ZINC000049087804 JH Annotated Anodyne COC(=O)c1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(=O)OC)cc43)cc2c1 ZINC000049088304 JH Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCN(Cc3ccc(C(C)C)cc(O)c3=O)CC1)O2 ZINC000049088953 JH Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(Cc3ccc(C(C)C)cc(O)c3=O)CC1)O2 ZINC000049088954 JH Annotated Anodyne O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccc(Cl)cc3)n[nH]c2c1=O)c1cccnc1 ZINC000049089220 JH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc21 ZINC000049089726 JH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc21 ZINC000049089727 JH Annotated Anodyne CS(=O)(=O)Nc1cccc(OCCN2C[C@H]3CC[C@@H](C2)C3Cc2ccc3c(c2)NC(=O)CC3)c1 ZINC000049109797 JH Annotated Anodyne CNCCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1 ZINC000049111616 JH Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1c(O)ccc2ccccc12 ZINC000049111912 JH Annotated Clean O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1c(O)ccc2ccccc12 ZINC000049111914 JH Annotated Clean CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N\OC)CCS4)c(N)cc2C1 ZINC000049112213 JH Annotated Mild C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1cc(Br)cc(Br)c1O ZINC000049112233 JH Annotated Mild C[C@H](CNC(=O)c1ccccc1O)/N=C/c1cc(Br)cc(Br)c1O ZINC000049112234 JH Annotated Mild COc1cc2cc(C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)oc2cc1O ZINC000049112285 JH Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049112575 JH Annotated Mild CN(C)CCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1 ZINC000049113405 JH Annotated Anodyne C[C@H](c1ccccc1)N(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049113554 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1CCCN1[C@@]1(C(=O)Nc3ccc(Cl)cc31)[C@@H]1CCCN12 ZINC000049114036 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1CCCN1[C@]1(C(=O)Nc3ccc(Cl)cc31)[C@H]1CCCN12 ZINC000049114039 JH Annotated Anodyne O=C(Nc1nonc1NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F ZINC000049757335 JH Annotated Mild CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@](=O)(F)OC)nn3)cc2c1 ZINC000049761892 JH Annotated Reactive CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@@](=O)(F)OC)nn3)cc2c1 ZINC000049761894 JH Annotated Reactive CO/N=C1\CCSC2=C1CN(c1c(N)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1C)CC2 ZINC000049777971 JH Annotated Mild Cc1c(N2CCC3=C(C2)/C(=N/O)[C@H](C)CS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049778019 JH Annotated Mild Cc1c(N2CCC3=C(C2)/C(=N/O)[C@@H](C)CS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049778020 JH Annotated Mild COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049781474 JH Annotated Mild CCCC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000049781476 JH Annotated Anodyne CO[C@@]12C[C@@H]3c4c(O)cccc4[C@H](O)C[C@H]3[C@@H]3CC[C@@](O)([C@H](C)[C@@H]([C@@H]4OC(=O)C(C)=C4C)O1)[C@]32C ZINC000049783760 JH Annotated Anodyne O=c1nc2n(CCCC(F)(F)F)nc(C34CC5CC(CC(C5)C3)C4)nc-2c(=O)n1CC1CC1 ZINC000049783856 JH Annotated Anodyne C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000049783898 JH Annotated Mild C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000049783899 JH Annotated Mild C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(=O)CCC)C[C@@H](O)[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000049784035 JH Annotated Mild C=C1CO[C@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@H](C)C[C@H](C)CC)[C@]13O[C@H]23 ZINC000049784334 JH Annotated Mild C=C1CO[C@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000049784335 JH Annotated Mild C=C1CO[C@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@@H](C)C[C@H](C)CC)[C@]13O[C@H]23 ZINC000049784336 JH Annotated Mild C=C1CO[C@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000049784337 JH Annotated Mild Cc1noc(C)c1CN1[C@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049793025 JH Annotated Anodyne Cc1noc(C)c1CN1[C@@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049793026 JH Annotated Anodyne CO/N=C1/C2=C(CCN(c3c(N)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C)C2)SC[C@H]1C ZINC000049793602 JH Annotated Mild CO/N=C1/C2=C(CCN(c3c(N)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C)C2)SC[C@@H]1C ZINC000049793603 JH Annotated Mild N#Cc1c(-c2cccc(C(=O)NCCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 ZINC000049803167 JH Annotated Mild COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4ccccc4c3)C[C@H]1[C@H](S(=O)(=O)O)N2 ZINC000049803420 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(C)(C)C)cc3)C[C@H]1[C@H](S(=O)(=O)O)N2 ZINC000049803650 JH 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)/C=C/c1ccco1 ZINC000049803951 JH Annotated Mild C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+](=O)c(C(=O)Nc1ccccc1)c(-c1ccccc1)n2O ZINC000049808611 JH Annotated Anodyne Cn1c2ccccc2c2nnc(Sc3nc(N4CCCCC4)nc(N4CCCCC4)n3)nc21 ZINC000049820358 JH Annotated Anodyne COc1cc(C[C@@H]2C(=O)O[C@](CCc3ccccc3)(C(=O)NCC(C)(C)C)C2=O)cc(OC)c1OC ZINC000049823273 JH Annotated Anodyne COc1cc(C[C@@H]2C(=O)O[C@@](CCc3ccccc3)(C(=O)NCC(C)(C)C)C2=O)cc(OC)c1OC ZINC000049823274 JH Annotated Anodyne C=C1C(=O)C=C[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000049853723 JH Annotated Mild CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C=C[C@@H](O)C(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000049872159 JH Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C=C[C@@H](O)C(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000049872160 JH Annotated Mild CN(C(=O)C1CCCCC1)[C@H](Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1 ZINC000000589373 JH Annotated Anodyne O=C(NO)[C@@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000000590045 JH Annotated Anodyne COc1ccc(S(=O)(=O)c2ccc(CN3CCCc4cc5c(cc43)nc(N)n5C)cc2)cc1 ZINC000000599989 JH Annotated Anodyne Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 ZINC000000602037 JH Annotated Anodyne Cc1cc(C)c(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000000602115 JH Annotated Mild O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000627476 JH Annotated Anodyne O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000627478 JH Annotated Anodyne Cn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)[C@H](C(=O)O)CC3 ZINC000000642476 JH Annotated Anodyne Cn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)[C@@H](C(=O)O)CC3 ZINC000000642477 JH Annotated Anodyne CO[C@@]12C[C@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 ZINC000000643201 JH Annotated Clean COc1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000000663018 JH Annotated Mild Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)o1 ZINC000000667674 JH Annotated Reactive COc1ccc(OC)c(-n2c(SCC(=O)N3CCc4ccccc43)nc3c(c2=O)SCC3)c1 ZINC000000755474 JH Annotated Anodyne aggregator COc1ccc(OC)c(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c(c2=O)SCC3)c1 ZINC000000755475 JH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(C)c(Br)c12 ZINC000000756253 JH Annotated Reactive CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)NC)CC(C)(C)O2 ZINC000000756280 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)NC)CC(C)(C)O2 ZINC000000756281 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)NC)CC(C)(C)O2 ZINC000000756282 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)NC)CC(C)(C)O2 ZINC000000756283 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000756302 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000756303 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000756304 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000756305 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000756318 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000756319 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000756320 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000756321 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000756322 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000756324 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000756325 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758289 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758290 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758445 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758446 JH Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758510 JH Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758511 JH Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758512 JH Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758513 JH Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758577 JH Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758578 JH Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000758582 JH Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000758583 JH Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758584 JH Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758585 JH Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758588 JH Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758589 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758647 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758648 JH Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758649 JH Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758650 JH Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758651 JH Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758652 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000760215 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000760216 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000760217 JH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000760218 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000760219 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000760220 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000760221 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000760222 JH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000760223 JH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000760224 JH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000760225 JH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000760226 JH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763035 JH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763036 JH Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763041 JH Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763042 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763101 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763102 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763103 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763104 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763105 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763106 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763193 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763194 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763195 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763196 JH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763197 JH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763198 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763201 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763202 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763203 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763204 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763263 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763264 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764838 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764839 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764840 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764841 JH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764842 JH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764843 JH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764844 JH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764845 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764846 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764847 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764848 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000764849 JH Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000765344 JH Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000765345 JH Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000765346 JH Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000765347 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000765348 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000765349 JH Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000765526 JH Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000765527 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000765540 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000765541 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 ZINC000000766797 JH Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 ZINC000000766798 JH Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767000 JH Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767002 JH Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000767105 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000000767211 JH Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1OC ZINC000000767384 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1OC ZINC000000767386 JH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000767404 JH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000767406 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000000767643 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000000767644 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000000767655 JH Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767698 JH Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767700 JH Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767706 JH Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767708 JH Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC ZINC000000767720 JH Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC ZINC000000767721 JH Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000767736 JH Annotated Bother CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000000768703 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768709 JH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000000768789 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000768805 JH Annotated Bother O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000768807 JH Annotated Bother O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000768809 JH Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000768854 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000768856 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000769068 JH Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000769129 JH Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000769131 JH Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769328 JH Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769362 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769364 JH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000769366 JH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000769367 JH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000000769413 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769559 JH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000769565 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769579 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769581 JH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000000769594 JH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769601 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000000769633 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769691 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769758 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769760 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)c1OC ZINC000000769913 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)c1OC ZINC000000769915 JH Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)c1 ZINC000000769917 JH Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)c1 ZINC000000769919 JH Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000000769921 JH Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000000769923 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769973 JH Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769975 JH Annotated Bother CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000000770090 JH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000000770184 JH Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000000770186 JH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000000770188 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)cc1OC ZINC000000770290 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000000770292 JH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000770340 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000000770396 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770405 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770407 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000000770440 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000000770485 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)CC ZINC000000770486 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000770506 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NC)CC(C)(C)O2 ZINC000000770636 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NC)CC(C)(C)O2 ZINC000000770637 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NC)CC(C)(C)O2 ZINC000000770639 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=S)NC)CC(C)(C)O2 ZINC000000770641 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=S)NC)CC(C)(C)O2 ZINC000000770642 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=S)NC)CC(C)(C)O2 ZINC000000770643 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000770662 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000770679 JH Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000770681 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CCOCC1 ZINC000000770784 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CCOCC1 ZINC000000770785 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000000770842 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000000770844 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000770848 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000770892 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000770907 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CCOCC1 ZINC000000770918 JH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000770919 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CCOCC1 ZINC000000770920 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000770921 JH Annotated Bother CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771152 JH Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771153 JH Annotated Anodyne CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771154 JH Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771155 JH Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000771164 JH Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000771165 JH Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000771166 JH Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000771167 JH Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000771218 JH Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000771219 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000000771242 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000000771243 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000000771244 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000000771245 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000000771254 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000000771255 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000000771256 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000000771257 JH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000771266 JH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000771267 JH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000771276 JH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000771277 JH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000771278 JH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000771279 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771480 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771482 JH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000771747 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000771947 JH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772070 JH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000000772178 JH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000000772262 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000772278 JH Annotated Bother O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000772280 JH Annotated Bother O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000772282 JH Annotated Bother COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000772327 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000772329 JH Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772601 JH Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772603 JH Annotated Bother O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772799 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000000772847 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000000772849 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000000772963 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000000772973 JH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000773111 JH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000773113 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000000773183 JH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000773231 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000000773261 JH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000000773271 JH Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773378 JH Annotated Bother O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773379 JH Annotated Bother O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773380 JH Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773381 JH Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773516 JH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773517 JH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773518 JH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773519 JH Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773534 JH Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773535 JH Annotated Bother COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000773648 JH Annotated Anodyne CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773658 JH Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000773663 JH Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000000773929 JH Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000000773930 JH Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000000773931 JH Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000000773932 JH Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000000773937 JH Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000000773938 JH Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000000773939 JH Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000000773940 JH Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774075 JH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774076 JH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774077 JH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774078 JH Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774231 JH Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774653 JH Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774654 JH Annotated Bother O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774964 JH Annotated Bother O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774965 JH Annotated Bother O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774966 JH Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774967 JH Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775102 JH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775103 JH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775104 JH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775105 JH Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775120 JH Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775121 JH Annotated Bother COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000775234 JH Annotated Anodyne CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775244 JH Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000775249 JH Annotated Bother COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000775657 JH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000775658 JH Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775686 JH Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775687 JH Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000775696 JH Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000775697 JH Annotated Bother CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775710 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775711 JH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000000776013 JH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000000776014 JH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000000776015 JH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000000776016 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC(C)(C)O2 ZINC000000776144 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC(C)(C)O2 ZINC000000776145 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC(C)(C)O2 ZINC000000776146 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC(C)(C)O2 ZINC000000776147 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC(C)(C)O2 ZINC000000776148 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC(C)(C)O2 ZINC000000776149 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC(C)(C)O2 ZINC000000776150 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC(C)(C)O2 ZINC000000776151 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000000776152 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000000776153 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000000776154 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000000776155 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776168 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776169 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776170 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776171 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776172 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776173 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776183 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776184 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776185 JH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776186 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776187 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776188 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776189 JH Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776190 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776675 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776676 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776677 JH Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776678 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000777018 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000777019 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000000777020 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777028 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777029 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777030 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777031 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777036 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777037 JH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777038 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000777039 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777053 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777652 JH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777653 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777654 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777655 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000000777770 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000000777771 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000000777772 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000000777773 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000000784902 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000000786076 JH Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000786161 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000000786162 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000000786309 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787607 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787609 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787611 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787612 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787778 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787781 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787783 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787785 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787824 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787825 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787826 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787827 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000787877 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000787878 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000787879 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000787880 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788077 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788079 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788086 JH Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788087 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000788967 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000788969 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000788970 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000788972 JH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000789162 JH Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789259 JH Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789260 JH Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789262 JH Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789263 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789265 JH Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789266 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000000789311 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000000789313 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000000789315 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000000789317 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000790385 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000000790414 JH Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790443 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000000790445 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000790502 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1OC ZINC000000790602 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1OC ZINC000000790604 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1OC ZINC000000790606 JH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc1OC ZINC000000790609 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000790760 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000000790763 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790791 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790792 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790793 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790794 JH Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000790808 JH Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000790809 JH Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000790810 JH Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000000790811 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790850 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790851 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790852 JH Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)c1OC ZINC000000790853 JH Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000000790886 JH Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000000790887 JH Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000000790889 JH Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)cc(OC)c1 ZINC000000790890 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000000791019 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000000791020 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000791026 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000791030 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000791032 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2N)c1 ZINC000000791052 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2N)c1 ZINC000000791054 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2N)c1 ZINC000000791055 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2N)c1 ZINC000000791056 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791073 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791074 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791076 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791077 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000791117 JH Annotated Clean COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000791119 JH Annotated Clean COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000791122 JH Annotated Clean COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC000000791124 JH Annotated Clean CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000000791357 JH Annotated Clean CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000000791359 JH Annotated Clean CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000000791361 JH Annotated Clean CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000000791364 JH Annotated Clean CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000000791517 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000000792075 JH Annotated Anodyne CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(CNS(C)(=O)=O)ccc1c32 ZINC000000838521 JH Annotated Bother COC1=CC(=O)O[C@@]12c1cc3c(Br)ccc(O)c3c(O)c1C(=O)[C@H](C)[C@]2(O)C(C)C ZINC000000839410 JH Annotated Anodyne CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000000925999 JH Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000000930954 JH Annotated Anodyne O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)NNC(=O)c1ccccc1O ZINC000000977069 JH Annotated Reactive CCN=[S@@](C)(O)=C1C=CC(=Nc2ncc(C(F)(F)F)c(=N[C@@H]3CCC[C@H]3N(C)C)[nH]2)C=C1 ZINC000514290513 JH Annotated Mild CCN=[S@](C)(O)=C1C=CC(=Nc2ncc(C(F)(F)F)c(=N[C@@H]3CCC[C@H]3N(C)C)[nH]2)C=C1 ZINC000514290514 JH Annotated Mild Clc1cnc2ccc3c(c2c1CCN1CCC(NCc2cc4c(cn2)OCCO4)CC1)OCCO3 ZINC000052565634 JH Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1 ZINC000052627013 JH Annotated Anodyne COc1cc2c(cc1N1CCNC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 ZINC000052637060 JH Annotated Anodyne COc1ccc2c(c1O)-c1cc(O)cc3c1[C@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 ZINC000052955698 JH Annotated Reactive CCC(=O)OC/C(=C\CC/C(=C\CO)CO)CC/C=C(/CC/C=C(\C)CO)COC(=O)CC ZINC000525915260 JH Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N\c3c(F)cccc3F)n(CP(C)(C)=O)c(=O)n1CC2 ZINC000053151127 JH Annotated Anodyne COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)NCCc4ccc(F)cc4)c3)nn2)c1 ZINC000053226687 JH Annotated Anodyne COc1ccc(OC)c(-c2cn(-c3ccc(O)c(C(=O)NCCc4ccc(F)cc4)c3)nn2)c1 ZINC000053242594 JH Annotated Anodyne C=CCN1C(=O)[C@@]2(C(C#N)=C(c3c[nH]c4ccccc34)OC(N)=C2C(=O)OCC)c2ccccc21 ZINC000053242992 JH Annotated Reactive CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12 ZINC000053297417 JH Annotated Anodyne CCOC(=O)c1cc2c(n1Cc1ccccc1)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 ZINC000053297621 JH Annotated Anodyne O=C(Nc1n[nH]c2c1CN(C(=O)c1ccccn1)C2)c1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC000053298551 JH Annotated Anodyne CCCCCCCCCCCC(=O)NC[C@@H]1NN(C(=O)OCc2ccccc2)[C@@H](C)[C@@H](O)[C@H]1O ZINC000053312810 JH Annotated Mild CS(=O)(=O)c1ccc(OC2CCCCC2)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000053314940 JH Annotated Mild O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@]1(Cc1ccc(O)cc1)OO ZINC000053683596 JH Annotated Reactive in-vivo COC(=O)[C@@H]1C[C@]2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@@H]2N1C(=O)OC ZINC000005536826 JH Annotated Anodyne CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000005545798 JH Annotated Clean COc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12 ZINC000005581243 JH Annotated Clean CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(N)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000005581422 JH Annotated Clean N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)c3ccncc3)C2=O)cc1 ZINC000005582263 JH Annotated Mild CCOC(=O)C[C@H]1C(C(=O)OCC)=CN2C(=C1C(=O)OCC)Nc1cccc3cccc2c13 ZINC000005582662 JH Annotated Anodyne O=NN(CCCl)C(=O)OCCCSSCCCOC(=O)N(CCCl)N=O ZINC000005663324 JH Annotated Reactive COC1=C2C[C@@]34C[C@@H](C)O[C@]3(OC)C(=O)c3c(O)cc5c6c3c4c2c2c(c(O)cc(c26)OCO5)C1=O ZINC000005707050 JH Annotated Mild Cc1nnc(N/N=C(/C(=O)[C@H](C#N)c2ccc(Cl)cc2)[C@@H](C#N)c2ccc(Cl)cc2)n1N ZINC000005722355 JH Annotated Mild Cc1nnc(N/N=C(/C(=O)[C@H](C#N)c2ccc(Cl)cc2)[C@H](C#N)c2ccc(Cl)cc2)n1N ZINC000005722356 JH Annotated Mild N#C[C@@H](C(=O)/C(=N\Nc1nc(S)nn1N)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005722395 JH Annotated Mild N#C[C@@H](C(=O)/C(=N\Nc1nc(S)nn1N)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005722397 JH Annotated Mild N#C/C(c1nc2ccccc2[nH]1)=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000005724312 JH Annotated Mild CS[C@H]([C@@H]1c2ccccc2N(C)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732624 JH Annotated Anodyne CS[C@@H]([C@@H]1c2ccccc2N(C)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732626 JH Annotated Anodyne CS[C@H]([C@H]1c2ccccc2N(C)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732627 JH Annotated Anodyne Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCO3 ZINC000005741475 JH Annotated Bother COCOCC[C@@H]1CC=C[C@@H](NC(=O)OCc2ccccc2)[C@H]1/C=C/C(=O)CCC1OCCO1 ZINC000005808252 JH Annotated Mild CC1(C)O[C@@H]2O[C@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000005810342 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@H]([C@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000005841774 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@H]([C@H](O)C2CCCCC2)C(=O)O1)c1ccccc1 ZINC000005841775 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000005841939 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000005841943 JH Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@H]1C[C@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000005841951 JH Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H]1C[C@H](C2(O)CCCCC2)C(=O)O1)c1ccccc1 ZINC000005841957 JH Annotated Anodyne O=c1n(CCCCn2c(=O)n(C[C@@H]3CS3)c3ccccc32)c2ccccc2n1C[C@@H]1CS1 ZINC000005845080 JH Annotated Anodyne O=c1n(CCCCn2c(=O)n(C[C@H]3CS3)c3ccccc32)c2ccccc2n1C[C@H]1CS1 ZINC000005845103 JH Annotated Anodyne Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])n4C)c3nc12 ZINC000005845775 JH Annotated Clean Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc(S(C)(=O)=O)cc4)c3nc12 ZINC000005846995 JH Annotated Clean CCOC(=O)C[C@@H]1CCN(C(=O)c2ccccc2)[C@H]2Cc3c([nH]c4ccccc34)[C@]12C[N+](=O)[O-] ZINC000005849659 JH Annotated Bother CCOC(=O)C[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]2Cc3c([nH]c4ccccc34)[C@]12C[N+](=O)[O-] ZINC000005849665 JH Annotated Bother CC(=O)O[C@@H](CC[C@@]1(C)O[C@@H]1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O ZINC000005850276 JH Annotated Anodyne CC(=O)O[C@@H](CC[C@]1(C)O[C@@H]1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O ZINC000005850287 JH Annotated Anodyne CC(=O)OC(C)(C)[C@@H]1CC[C@@](C)([C@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000005850299 JH Annotated Anodyne in-vitro CC(=O)OC(C)(C)[C@H]1CC[C@@](C)([C@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000005850307 JH Annotated Anodyne in-vitro CC(=O)OC(C)(C)[C@@H]1CC[C@](C)([C@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000005850320 JH Annotated Anodyne in-vitro CC(=O)OC(C)(C)[C@H]1CC[C@](C)([C@H](O)COc2ccc(CCNC(=O)c3ccccc3)cc2)O1 ZINC000005850330 JH Annotated Anodyne in-vitro COc1cc([C@@H]2SC(N)=Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc(OC)c1OC ZINC000005851557 JH Annotated Anodyne COc1cc(C(=O)N2CCc3c([nH]c4c([N+](=O)[O-])c(OC)ccc34)[C@@H]2C)cc(OC)c1OC ZINC000005885861 JH Annotated Bother Nn1c(CCCCCCCCc2nnc(COc3ccccc3)n2N)nnc1COc1ccccc1 ZINC000005923479 JH Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21)CC(=O)OC ZINC000005923597 JH Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21)CC(=O)OC ZINC000005923603 JH Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21)CC(=O)OC ZINC000005923607 JH Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)CN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1OC(C)=O ZINC000005923794 JH Annotated Anodyne COc1cc2c(cc1OCCN1C(=O)c3cccc4cccc(c34)C1=O)N=C[C@@H]1CCCN1C2=O ZINC000005939725 JH Annotated Anodyne OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(Cc2cccc4nccnc24)CCO3)CC1 ZINC000055035752 JH Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(Cc1cnn(-c3ccccc3)c1)CCO2 ZINC000055054130 JH Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(Cc1cnn(-c3ccccc3)c1)CCO2 ZINC000055054135 JH Annotated Anodyne CC(C)N1CCC[C@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@H]4SC=CN34)c3cccnc32)C1 ZINC000055646898 JH Annotated Anodyne CC(C)N1CCC[C@@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@H]4SC=CN34)c3cccnc32)C1 ZINC000055646899 JH Annotated Anodyne COc1cc2c(c(OC)c1OC)N[C@H](C(=O)N1C[C@H](CCl)c3c1cc(O)c1ncccc31)C2 ZINC000055652222 JH Annotated Reactive COc1cc2c(c(OC)c1OC)N[C@@H](C(=O)N1C[C@H](CCl)c3c1cc(O)c1ncccc31)C2 ZINC000055652224 JH Annotated Reactive COc1cc2c(c(OC)c1OC)N[C@H](C(=O)N1C[C@@H](CCl)c3c1cc(O)c1ncccc31)C2 ZINC000055652226 JH Annotated Reactive COc1cc2c(c(OC)c1OC)N[C@@H](C(=O)N1C[C@@H](CCl)c3c1cc(O)c1ncccc31)C2 ZINC000055652228 JH Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000058482455 JH Annotated Anodyne COc1cc(F)c2nccc([C@@H](O)CN3CC[C@@H](NC(=O)OCc4ccccc4)[C@@H](F)C3)c2c1 ZINC000058482513 JH Annotated Anodyne Cc1ncc(Cn2c(=O)c3cc(S(O)(O)NC4(C)CC4)ccc3n(CC3CC3)c2=O)s1 ZINC000584904922 JH Annotated Anodyne COc1ccccc1OS(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584904982 JH Annotated Anodyne Cn1ncc2cc(-c3ccc(C4=NC5(CC5)C(=O)N4C[C@@H]4CCN(C(=O)C5CC5)C4)cc3)ccc21 ZINC000584905134 JH Annotated Anodyne O=C(CCN1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1ccc2nc(O)oc2c1 ZINC000584905236 JH Annotated Anodyne Cc1cc(C(=O)Nc2nc3cccc(C)c3n2[C@@H]2CCCCN(C(=O)/C=C\CN(C)C)C2)ccn1 ZINC000584905310 JH Annotated Anodyne CC(=O)Nc1ccc(OS(=O)(=O)[C@@H]2C[C@@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000584905403 JH Annotated Anodyne Cc1cc([C@@H]2CN(C(=O)c3ccc(F)c(Br)c3)CC(F)(F)C2)n2ncnc2n1 ZINC000584905441 JH Annotated Anodyne CCOC(=O)c1cnc2ccc(OCc3ccc(N4CCNCC4)nc3)cc2c1SCCC#N ZINC000584905734 JH Annotated Mild CN1CCC[C@H](OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000058533588 JH Annotated Anodyne CN1CCN(CCCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1 ZINC000058538233 JH Annotated Mild CCN1CCN(CCCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1 ZINC000058538351 JH Annotated Mild COc1ccc(CCN2CN=C(SCc3ccc(I)cc3)NC2)cc1OC ZINC000058538430 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccc(Cl)cc31)[C@@H]1CCCN12 ZINC000058541758 JH Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCCN(CC[C@](O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 ZINC000058543160 JH Annotated Anodyne CN1CCN(CC(=O)O[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058559643 JH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000058563888 JH Annotated Bother CN1CCN(CCC(=O)N[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058566822 JH Annotated Anodyne O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cc4c(cc3c2=O)OCO4)cc1 ZINC000058568320 JH Annotated Bother O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cc4c(cc3c2=O)OCCO4)cc1 ZINC000058574952 JH Annotated Bother CC(C)CN(NC(=O)c1cccc(-c2ccncc2)c1)c1nc(C#N)ncc1Br ZINC000058575684 JH Annotated Reactive FC(F)Oc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058576224 JH Annotated Anodyne CCCCCCCCO[C@H]1O[C@@H]2COC(=O)CC/C=C/CCC(=O)O[C@H]2[C@H](OC)[C@H]1OC ZINC000058576477 JH Annotated Mild c1ccc(Cn2nnnc2[C@H](c2ccc3ncccc3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058580909 JH Annotated Anodyne CC(=O)Nc1ccc2c(c1)/C(=C(\C)NNC(=O)c1cccc(C(=O)O)c1)C(=O)N2c1ccc(C)cc1 ZINC000058581619 JH Annotated Reactive CCCN1CC(=O)N2[C@@H](Cc3c(OC)c(C)c(OC)c(OC)c3[C@@H]2COCc2ccccc2)C1 ZINC000058581824 JH Annotated Anodyne CC(C)CN(NC(=O)c1cnc(-c2ccc3c(c2)CCO3)s1)c1nc(C#N)ncc1Cl ZINC000058581837 JH Annotated Reactive FC(F)Oc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCCN(C2CCC2)CC1 ZINC000058582029 JH Annotated Anodyne COc1cc(/C=C2\N/C(=N\CCCO)N([C@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058583416 JH Annotated Mild Cc1nccn1-c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058583417 JH Annotated Anodyne CC(C)CN(NC(=O)c1ccc(-c2ccccc2)nc1)c1nc(C#N)ncc1Br ZINC000058583714 JH Annotated Reactive c1ccc(Cn2nnnc2[C@@H](c2ccc(Cn3cccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058583941 JH Annotated Anodyne Cc1nonc1-c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058590443 JH Annotated Anodyne CC(=O)Nc1ccc2c(c1)/C(=C(\C)NNC(=O)c1ccc(C(=O)O)cc1)C(=O)N2c1ccc(C)cc1 ZINC000058590470 JH Annotated Reactive c1ccc(Cn2nnnc2[C@@H](c2ccc(-n3cccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058590689 JH Annotated Anodyne COc1cc(/C=C2\N/C(=N\CCCO)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058590721 JH Annotated Mild CC(C)C[C@H]1C(=O)N(COC(=O)[C@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1C ZINC000058590894 JH Annotated Anodyne Cn1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)ccc21 ZINC000058591244 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(-c3csnn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058591622 JH Annotated Anodyne CC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@H](CCO)c1ccc(F)cc1 ZINC000058591687 JH Annotated Mild CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncc3)c2)o1)C1CCCCC1 ZINC000058592478 JH Annotated Anodyne CC(C)CN(NC(=O)c1cncc(-c2ccccc2)c1)c1nc(C#N)ncc1Br ZINC000058592516 JH Annotated Reactive CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000058598602 JH Annotated Anodyne CCN[C@H]1CN(c2nc(N3CCCc4ccccc43)nc(N3CCCc4ccccc43)n2)CCO1 ZINC000058599322 JH Annotated Anodyne CCN(CC)CCNc1nc(N2CCc3ccccc3C2)nc(N2CCc3ccccc3C2)n1 ZINC000058602986 JH Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)CCCC/C=C/C=C\[C@@H]1C ZINC000058655347 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(Oc3ncccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058655606 JH Annotated Anodyne O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@@]1(Cc1ccc(O)cc1)OO ZINC000058660460 JH Annotated Reactive in-vitro CN(C)c1c(Oc2cc(Cl)cc(C#N)c2)cc(CC(=O)N2CCc3ccccc3C2)[nH]c1=O ZINC000058660612 JH Annotated Mild N=c1[nH]cc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc-2[nH]1 ZINC000586878616 JH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000586882141 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4CCCC(=O)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586884344 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CCCC(=O)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586884345 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(CO)c3)nc1-2 ZINC000586895380 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(CO)cc3)[nH]c12 ZINC000586895549 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3cccc(O)c3)nc1-2 ZINC000586896384 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3CC[C@H](O)CC3)nc1-2 ZINC000586899787 JH Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586900243 JH Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586905681 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)cc1 ZINC000586906361 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)cc1 ZINC000586906363 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586908201 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586908204 JH Annotated Anodyne O=C(O)c1cc2[nH]c(C[C@H]3COCCO3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586911497 JH Annotated Bother O=C(O)c1cc2[nH]c(C[C@@H]3COCCO3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586911502 JH Annotated Bother CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586913337 JH Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586913343 JH Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586913345 JH Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586913348 JH Annotated Anodyne O=C(O)c1cc2[nH]c(C3(O)CCOCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586914196 JH Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586914352 JH Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586914357 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586916990 JH Annotated Anodyne C[C@H]1CCO[C@H](c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)C1 ZINC000586917945 JH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(S(N)(=O)=O)c4[nH]3)c(=O)oc2c1C ZINC000586918186 JH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918233 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3COc4ccccc4O3)nc1-2 ZINC000586918480 JH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(=O)oc2c1C ZINC000586918939 JH Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)ccc12 ZINC000586919237 JH Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)ccc12 ZINC000586919271 JH Annotated Anodyne CSc1sc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919574 JH Annotated Anodyne CC(C)Oc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586919701 JH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586919715 JH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586919745 JH Annotated Bother CCCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586919878 JH Annotated Bother O=S(=O)(CCc1nc2ccc(I)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586919995 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000586920126 JH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586920337 JH Annotated Bother O=S(=O)(CCc1nc2cccc(I)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920466 JH Annotated Anodyne O=S(=O)(CCc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920654 JH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586920837 JH Annotated Bother O=S(=O)(CCc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921084 JH Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586921166 JH Annotated Anodyne CC(C)CCOc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586921303 JH Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586921449 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3cccc(S(=O)(=O)CC)c3)nc2c1 ZINC000586921585 JH Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586921875 JH Annotated Anodyne CCCCCOc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586922404 JH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c21 ZINC000586922488 JH Annotated Clean CCS(=O)(=O)c1cccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586922535 JH Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586922691 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)o1 ZINC000586922770 JH Annotated Clean CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)o1 ZINC000586922928 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)o1 ZINC000586923213 JH Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(I)c4[nH]3)c2)o1 ZINC000586923253 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)o1 ZINC000586923262 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)o1 ZINC000586923289 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)c2)o1 ZINC000586923382 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)o1 ZINC000586923397 JH Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)o1 ZINC000586923406 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2)o1 ZINC000586923706 JH Annotated Mild CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)o1 ZINC000586923743 JH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)o1 ZINC000586923796 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586923919 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586923920 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586924196 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586924197 JH Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586924205 JH Annotated Anodyne COc1cc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924312 JH Annotated Unstable COc1cc(Cc2nc3c(C)c(Br)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924315 JH Annotated Unstable COc1cc(Cc2nc3cc(Br)c(C)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924388 JH Annotated Unstable COc1cc(Cc2nc3ccc(I)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924416 JH Annotated Unstable COc1cc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(S(=O)(=O)Cl)c1OC ZINC000586924706 JH Annotated Unstable COc1cc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586924743 JH Annotated Unstable COc1cc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925060 JH Annotated Unstable COc1cc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925066 JH Annotated Unstable COc1cc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925078 JH Annotated Unstable COc1cc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925079 JH Annotated Unstable COc1cc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925148 JH Annotated Unstable CN(C)S(=O)(=O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586925192 JH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cccc(I)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925242 JH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586925277 JH Annotated Unstable COc1cc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925283 JH Annotated Unstable COc1cc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925355 JH Annotated Unstable COc1cncc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586925370 JH Annotated Anodyne COc1cc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925491 JH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586925522 JH Annotated Unstable COc1cc(Cc2nc3cccc(I)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925707 JH Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 ZINC000586925816 JH Annotated Anodyne COc1cc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925818 JH Annotated Unstable COc1cc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925905 JH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925920 JH Annotated Mild CS(=O)(=O)c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925973 JH Annotated Bother CS(=O)(=O)c1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc([N+](=O)[O-])c1Cl ZINC000586925985 JH Annotated Clean COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 ZINC000586925992 JH Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586926010 JH Annotated Unstable O=[N+]([O-])c1cnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586926035 JH Annotated Unstable COc1ccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2n1 ZINC000586926068 JH Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586926155 JH Annotated Clean CS(=O)(=O)c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926208 JH Annotated Bother CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3nc(Cl)c[nH]c-3n2)CC1 ZINC000586926279 JH Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cn1 ZINC000586926334 JH Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 ZINC000586926378 JH Annotated Bother O=[N+]([O-])c1cncc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926571 JH Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586926643 JH Annotated Bother COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1 ZINC000586926806 JH Annotated Unstable O=C1COc2cc3[nH]c(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)nc3cc2N1 ZINC000586926822 JH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586926937 JH Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586927030 JH Annotated Unstable CS(=O)(=O)/C=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586927139 JH Annotated Bother CS(=O)(=O)/C=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586927155 JH Annotated Bother O=S(=O)(Cl)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1Cl ZINC000586927197 JH Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000586927258 JH Annotated Anodyne O=S(=O)(Cl)c1cc(-c2nc3cc(I)cnc3[nH]2)ccc1Cl ZINC000586927644 JH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(I)cnc3[nH]2)cc1Cl ZINC000586927754 JH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Cl ZINC000586927757 JH Annotated Unstable CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 ZINC000586928099 JH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586928136 JH Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928137 JH Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586928233 JH Annotated Unstable CC1=C(c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c3c2)NNC(=O)C1 ZINC000586928459 JH Annotated Unstable CN(Cc1nc2cc(Br)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928500 JH Annotated Mild CN(Cc1nc2c(I)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928530 JH Annotated Anodyne CC(C)CCOc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586928621 JH Annotated Anodyne CN(Cc1nc2c(Br)ccc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928679 JH Annotated Mild CN(Cc1nc2ccc(I)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928714 JH Annotated Anodyne CN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928732 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586928741 JH Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586928806 JH Annotated Mild CN(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928881 JH Annotated Mild CN(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928895 JH Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586928943 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586929025 JH Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929026 JH Annotated Mild CN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929157 JH Annotated Bother CCCCOc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586929167 JH Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586929296 JH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CN(C)S(=O)(=O)c4ccc(C#N)cc4)[nH]c3c2)cc1 ZINC000586929376 JH Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(COc4ccc(S(N)(=O)=O)cc4C)[nH]c3c2)cc1 ZINC000586929393 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586929408 JH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc(S(N)(=O)=O)cc5C)[nH]c4c3)o2)cc1 ZINC000586929450 JH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CN(C)S(=O)(=O)c5cccnc5)[nH]c4c3)o2)cc1 ZINC000586929473 JH Annotated Anodyne CC(C)COc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586929482 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586929492 JH Annotated Anodyne CN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929582 JH Annotated Anodyne CCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586929607 JH Annotated Mild CN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929668 JH Annotated Bother CC(C)Oc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586929672 JH Annotated Mild CN(Cc1nc2c(Br)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929689 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586929814 JH Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586929820 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586929827 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586929841 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586929906 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586929908 JH Annotated Anodyne COC(=O)c1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586929936 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000586929968 JH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586930075 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586930148 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000586930190 JH Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586930203 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586930206 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586930315 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586930354 JH Annotated Bother Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1 ZINC000586930397 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1 ZINC000586930531 JH Annotated Mild CCCOc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Br ZINC000586930577 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586930593 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000586930615 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586930649 JH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586930673 JH Annotated Anodyne CC(C)COc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1Br ZINC000586930719 JH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586930809 JH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586930905 JH Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586930931 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000586930998 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000586931029 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)o1 ZINC000586931099 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000586931181 JH Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000586931183 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000586931197 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000586931200 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000586931202 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 ZINC000586931244 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)o1 ZINC000586931320 JH Annotated Anodyne CC(C)Oc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586931356 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)o1 ZINC000586931399 JH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c(F)c1Nc1ccccc1 ZINC000586931535 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586931799 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586931839 JH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c3c2)cc1 ZINC000586931842 JH Annotated Anodyne CCCOc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586932074 JH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)C(C)C ZINC000586932126 JH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)C(C)C ZINC000586932127 JH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)C(C)C ZINC000586932899 JH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)C(C)C ZINC000586932900 JH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C ZINC000586933281 JH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C ZINC000586933284 JH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(C)C ZINC000586933305 JH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(C)C ZINC000586933307 JH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C ZINC000586933807 JH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C ZINC000586933808 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(C(C)(C)C)cc4[nH]3)cccc12 ZINC000586934190 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(C(C)(C)C)cc4[nH]3)cccc12 ZINC000586934191 JH Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586934218 JH Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586934219 JH Annotated Anodyne Cc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Cl ZINC000586934232 JH Annotated Anodyne Cc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Cl ZINC000586934233 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc5c(c4[nH]3)CCCC5)cccc12 ZINC000586934314 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc5c(c4[nH]3)CCCC5)cccc12 ZINC000586934315 JH Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586934444 JH Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586934445 JH Annotated Anodyne Cc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586934489 JH Annotated Anodyne Cc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586934490 JH Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586934616 JH Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586934623 JH Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586934698 JH Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586934700 JH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586934815 JH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586934816 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586934877 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586934882 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586934883 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586934884 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586935096 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586935103 JH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c(F)c1Nc1ccccc1 ZINC000586935138 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc5ccccc5cc4[nH]3)cccc12 ZINC000586935233 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc5ccccc5cc4[nH]3)cccc12 ZINC000586935239 JH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586935336 JH Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586935338 JH Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586935562 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586935574 JH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586935653 JH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586935656 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586935804 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586935805 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586935858 JH Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586935860 JH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000586935963 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000586935964 JH Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1OC ZINC000586935976 JH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1OC ZINC000586935979 JH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c1 ZINC000586936088 JH Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586936105 JH Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586936106 JH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586936165 JH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586936169 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc(C(C)(C)C)c4[nH]3)cccc12 ZINC000586936230 JH Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc(C(C)(C)C)c4[nH]3)cccc12 ZINC000586936232 JH Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586936252 JH Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586936319 JH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586936324 JH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586936484 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586936485 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936543 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586936546 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586936548 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936551 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586936626 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586936628 JH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1 ZINC000586936819 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586936906 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586936912 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586936915 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586936920 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2cc1OC ZINC000586936971 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2cc1OC ZINC000586936976 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586937003 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586937017 JH Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586937025 JH Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586937027 JH Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 ZINC000586937033 JH Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 ZINC000586937034 JH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c1 ZINC000586937176 JH Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586937345 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586937362 JH Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000586937457 JH Annotated Bother CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000586937458 JH Annotated Bother CCCCCOc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586937460 JH Annotated Anodyne CCCCCOc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586937464 JH Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586937542 JH Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586937549 JH Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000586937552 JH Annotated Bother CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000586937555 JH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586937571 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586937573 JH Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586937614 JH Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586937616 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586937631 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586937636 JH Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c4ccc(Cl)cc4)[nH]c32)n1 ZINC000586937662 JH Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c4ccc(Cl)cc4)[nH]c32)n1 ZINC000586937673 JH Annotated Anodyne CCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2cc1Br ZINC000586937745 JH Annotated Anodyne CCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2cc1Br ZINC000586937746 JH Annotated Anodyne CCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2cc1Br ZINC000586937747 JH Annotated Anodyne CCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2cc1Br ZINC000586937748 JH Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586937929 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586937934 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586937948 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586937957 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586937958 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586937959 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586937968 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586937976 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586938011 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586938012 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586938163 JH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1OC ZINC000586938165 JH Annotated Anodyne COC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1OC ZINC000586938167 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586938171 JH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586938409 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586938424 JH Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586938427 JH Annotated Mild CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586938586 JH Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586938589 JH Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586938590 JH Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586938593 JH Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586938651 JH Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586938654 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586938659 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586938670 JH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586938707 JH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586938708 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586938717 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586938718 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938733 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H](C)O)cc1 ZINC000586938740 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938741 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H](C)O)cc1 ZINC000586938742 JH Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586938981 JH Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586938983 JH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586939114 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586939126 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586939131 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586939186 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586939187 JH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586939211 JH Annotated Anodyne CC1=C(c2ccc3nc([C@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586939221 JH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586939249 JH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586939250 JH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586939261 JH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586939266 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586939820 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2cc1OC ZINC000586939865 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2cc1OC ZINC000586939866 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586939971 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@H](C)O)cc1 ZINC000586939975 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586939976 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@H](C)O)cc1 ZINC000586939979 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586939991 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H](C)O)cc1 ZINC000586939992 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586939994 JH Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H](C)O)cc1 ZINC000586939995 JH Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586940300 JH Annotated Reactive CSc1ccc(S(=O)(=O)NCc2nc3cc(C)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940583 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000586940719 JH Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940728 JH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940729 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940735 JH Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(I)cc3[nH]2)cc1 ZINC000586940743 JH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(I)cc3[nH]2)cc1 ZINC000586940744 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940751 JH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(I)c3[nH]2)cc1 ZINC000586940775 JH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(I)c3[nH]2)cc1 ZINC000586940776 JH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586940808 JH Annotated Clean Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586940809 JH Annotated Clean CSc1ccc(S(=O)(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000586940839 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940852 JH Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3ccc(F)c(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940862 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940891 JH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc2c1 ZINC000586940979 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc2c1 ZINC000586940983 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941023 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941050 JH Annotated Bother CCCCOc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586941092 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941176 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941177 JH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586941192 JH Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586941193 JH Annotated Bother O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941248 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941275 JH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586941294 JH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586941300 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941431 JH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586941491 JH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586941495 JH Annotated Anodyne Cc1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586941566 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)s1 ZINC000586941572 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941640 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941681 JH Annotated Bother O=S(=O)(NCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941689 JH Annotated Anodyne O=S(=O)(NCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)s1 ZINC000586941738 JH Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586941740 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941742 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941772 JH Annotated Anodyne O=S(=O)(NCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941786 JH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586941793 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941853 JH Annotated Bother O=S(=O)(NCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586941856 JH Annotated Anodyne O=S(=O)(NCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)s1 ZINC000586941863 JH Annotated Bother CC(C)COc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586941895 JH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586941911 JH Annotated Bother CC(C)Oc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Br ZINC000586941942 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941974 JH Annotated Bother O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941986 JH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586942000 JH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586942012 JH Annotated Bother O=S(=O)(NCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942019 JH Annotated Anodyne O=S(=O)(NCCc1nc2cccc(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942034 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc2c1 ZINC000586942049 JH Annotated Anodyne O=S(=O)(NCCc1nc2cccc(I)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942057 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc2c1 ZINC000586942058 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942111 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)s1 ZINC000586942135 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942195 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942197 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942267 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942296 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942301 JH Annotated Anodyne Nc1ccc(-c2ccc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3c2)cc1N ZINC000586942341 JH Annotated Anodyne Cc1cc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2c(C)n1 ZINC000586942368 JH Annotated Anodyne O=S(=O)(NCCc1nc2c(F)cnc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942379 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942392 JH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3c2)cc1 ZINC000586942420 JH Annotated Anodyne CC(C)COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Br ZINC000586942460 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942468 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942473 JH Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942550 JH Annotated Anodyne N#Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1C(F)(F)F ZINC000586942587 JH Annotated Mild O=S(=O)(NCCc1nc2c(Br)ccnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942619 JH Annotated Anodyne Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Br ZINC000586942660 JH Annotated Anodyne O=S(=O)(NCc1nc2cccc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942687 JH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000586942697 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942701 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586942720 JH Annotated Anodyne Cc1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942732 JH Annotated Anodyne Cc1nc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2cc1Br ZINC000586942752 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(F)c(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942754 JH Annotated Anodyne O=S(=O)(NCCc1nc2cncc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942765 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(I)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942773 JH Annotated Anodyne COc1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942792 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(Cl)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942810 JH Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586942823 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942835 JH Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)s1 ZINC000586942859 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)s1 ZINC000586942879 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)s1 ZINC000586942880 JH Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586942892 JH Annotated Anodyne O=S(=O)(NCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586942924 JH Annotated Anodyne O=S(=O)(NCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586942952 JH Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)s1 ZINC000586942977 JH Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)ccnc2[nH]1)c1cc(Br)ccc1Br ZINC000586943012 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943035 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Cl)nc2[nH]1)c1cc(Br)ccc1Br ZINC000586943045 JH Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943091 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586943147 JH Annotated Anodyne Cc1c(Br)ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586943225 JH Annotated Anodyne O=S(=O)(NCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)s1 ZINC000586943264 JH Annotated Bother O=S(=O)(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)s1 ZINC000586943297 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)c(F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943340 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)c(O)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943366 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943405 JH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)nc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943415 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943426 JH Annotated Anodyne O=S(=O)(NCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1c(Cl)cccc1Cl ZINC000586943442 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cnc2[nH]1)c1cc(Br)ccc1Br ZINC000586943457 JH Annotated Anodyne O=S(=O)(NCCc1nc2cncc(Cl)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943462 JH Annotated Anodyne Cc1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943497 JH Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)ncc2[nH]1)c1cc(Br)ccc1Br ZINC000586943506 JH Annotated Anodyne Cc1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586943513 JH Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000586943545 JH Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1C ZINC000586943619 JH Annotated Anodyne C=CCc1cccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943646 JH Annotated Mild O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cnc4ccccc4c3[nH]2)c1 ZINC000586943652 JH Annotated Anodyne CSc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586943694 JH Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1F ZINC000586943768 JH Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586943803 JH Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586943812 JH Annotated Anodyne Cc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1C ZINC000586943939 JH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2n1 ZINC000586943957 JH Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1Cl ZINC000586943985 JH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2c1 ZINC000586944005 JH Annotated Mild O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000586944034 JH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc12 ZINC000586944089 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586944177 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586944299 JH Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2c1 ZINC000586944425 JH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)cc1 ZINC000586944519 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586944556 JH Annotated Anodyne CCc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586944740 JH Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2c1 ZINC000586944801 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586944921 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586944992 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586945005 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586945006 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586945036 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586945037 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586945066 JH Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586945067 JH Annotated Bother O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586945233 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586945257 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586945263 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586945266 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586945285 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586945286 JH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(CNS(C)(=O)=O)oc5C)[nH]c4c3)o2)cc1 ZINC000586945304 JH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1[N+](=O)[O-] ZINC000586945321 JH Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586945327 JH Annotated Mild Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586945343 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586945355 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586945372 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586945376 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945464 JH Annotated Anodyne COC(=O)c1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586945469 JH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(I)cc2[nH]1 ZINC000586945490 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586945500 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586945546 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586945557 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586945558 JH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(I)c2[nH]1 ZINC000586945570 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586945603 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586945636 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586945638 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586945641 JH Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586945642 JH Annotated Mild O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586945671 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586945728 JH Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586945731 JH Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586945759 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586945762 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000586945786 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586945813 JH Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586945816 JH Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586946036 JH Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586946037 JH Annotated Bother O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586946041 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000586946048 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000586946049 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586946061 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586946062 JH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(CNS(C)(=O)=O)oc4C)[nH]c3c2)cc1 ZINC000586946072 JH Annotated Anodyne Cc1nc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2cc1Br ZINC000586946092 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586946100 JH Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 ZINC000586946106 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586946112 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586946134 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cncc(Br)c2[nH]1 ZINC000586946222 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586946238 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586946246 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586946247 JH Annotated Anodyne N#Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1C(F)(F)F ZINC000586946267 JH Annotated Mild N#Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1C(F)(F)F ZINC000586946268 JH Annotated Mild COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1OC ZINC000586946413 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586946420 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586946425 JH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586946441 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586946442 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586946444 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586946467 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586946472 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586946473 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc1 ZINC000586946480 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586946562 JH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 ZINC000586946618 JH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586946619 JH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 ZINC000586946621 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586946670 JH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586946861 JH Annotated Anodyne CCCOc1cc2nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c2cc1Br ZINC000586946864 JH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2cc1OC ZINC000586946890 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586947072 JH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586947159 JH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 ZINC000586947294 JH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 ZINC000586947295 JH Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)n(C)c1 ZINC000586947339 JH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 ZINC000586947360 JH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 ZINC000586947362 JH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 ZINC000586947402 JH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 ZINC000586947403 JH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586947459 JH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586947460 JH Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)n(C)c1 ZINC000586947485 JH Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2cc1Br ZINC000586947665 JH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586947827 JH Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586947832 JH Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586947930 JH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586947941 JH Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586947945 JH Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586948090 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cncc(OC)c3[nH]2)cc1 ZINC000586948102 JH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586948120 JH Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586948140 JH Annotated Clean COC(=O)c1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586948154 JH Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586948268 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586948335 JH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586948381 JH Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(OC)nc3[nH]2)cc1 ZINC000586948388 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586948434 JH Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586948546 JH Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2n1 ZINC000586948579 JH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586948731 JH Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586948742 JH Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586948932 JH Annotated Clean Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)cc2)c1C ZINC000586949019 JH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586949213 JH Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccnc3[nH]2)cc1 ZINC000586949284 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccnc(OC)c3[nH]2)cc1 ZINC000586949352 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(F)cnc3[nH]2)cc1 ZINC000586949359 JH Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586949413 JH Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586949443 JH Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586949457 JH Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586949602 JH Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cnccc3[nH]2)cc1 ZINC000586949647 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccnc(O)c3[nH]2)cc1 ZINC000586949690 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586949744 JH Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cncc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949851 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1OC ZINC000586949871 JH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-] ZINC000586949875 JH Annotated Bother N#Cc1nc(Cl)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586949899 JH Annotated Mild CCOC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586949938 JH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586949976 JH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1OC ZINC000586949982 JH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586949984 JH Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586949998 JH Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950014 JH Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc(Br)ncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950032 JH Annotated Anodyne N#Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C#N ZINC000586950253 JH Annotated Mild O=[N+]([O-])c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950321 JH Annotated Bother COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950346 JH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950453 JH Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950456 JH Annotated Anodyne O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Nc1ccc(N2CCCCC2)cc1 ZINC000586950494 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950502 JH Annotated Anodyne O=C(O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F ZINC000586950503 JH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F ZINC000586950533 JH Annotated Bother Cc1nc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2cc1Br ZINC000586950557 JH Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)ncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950695 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586950720 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000586950748 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586950790 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586950857 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586950864 JH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 ZINC000586950883 JH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586950886 JH Annotated Mild O=S(=O)(Cc1nc2ccc(Br)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950926 JH Annotated Anodyne O=S(=O)(Cc1nc2c(Br)ccnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950954 JH Annotated Anodyne O=S(=O)(Cc1nc2ccnc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950962 JH Annotated Anodyne Cc1nc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2cc1Br ZINC000586951055 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586951104 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586951152 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000586951153 JH Annotated Anodyne O=S(=O)(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951180 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951215 JH Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)c(O)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951243 JH Annotated Anodyne O=S(=O)(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951252 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000586951396 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000586951421 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000586951452 JH Annotated Anodyne O=S(=O)(Cc1nc2c(F)cnc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951454 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951485 JH Annotated Anodyne Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2cc1[N+](=O)[O-] ZINC000586951490 JH Annotated Bother O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586951539 JH Annotated Anodyne O=S(=O)(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951557 JH Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)c(C)c1C ZINC000586951562 JH Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951564 JH Annotated Anodyne O=S(=O)(Cc1nc2cncc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951590 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000586951615 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000586951710 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586951728 JH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586951730 JH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Cl ZINC000586951732 JH Annotated Bother Cc1c(Br)cnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 ZINC000586951873 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586952006 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586952092 JH Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586952105 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586952204 JH Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(N)ccnc5[nH]4)c3c2)cc1 ZINC000586952572 JH Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5nc(Cl)ncc5[nH]4)[nH]c23)cc1 ZINC000586952723 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 ZINC000586952764 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586952816 JH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586952851 JH Annotated Anodyne COc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1F ZINC000586952859 JH Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586952891 JH Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586953298 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586953303 JH Annotated Bother O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586953346 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586953400 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586953422 JH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586953440 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586953441 JH Annotated Anodyne Cc1nc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2cc1Br ZINC000586953540 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586953595 JH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586953730 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586953804 JH Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc6c(cc5[nH]4)NC(=O)CO6)[nH]c23)cc1 ZINC000586953976 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586954065 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586954230 JH Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 ZINC000586954256 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2N)C1 ZINC000586954407 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC2)cc1 ZINC000586954461 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586954511 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2N)C1 ZINC000586954531 JH Annotated Anodyne CCCCCOc1cc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2cc1Br ZINC000586954556 JH Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br ZINC000586954771 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2N)C1 ZINC000586954793 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2N)C1 ZINC000586954810 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(F)cnc(Br)c4[nH]3)CC2)cc1 ZINC000586954815 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4nc(Br)c[nH]c-4n3)CC2)cc1 ZINC000586954866 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954905 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2N)C1 ZINC000586954960 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2N)C1 ZINC000586954969 JH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586955093 JH Annotated Bother CCCOc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br ZINC000586955191 JH Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586955192 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)O)cc4[nH]3)CC2)cc1 ZINC000586955259 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)CC2)cc1 ZINC000586955260 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586955319 JH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586955366 JH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 ZINC000586955383 JH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(I)c3[nH]2)c1)N1CCC1 ZINC000586955469 JH Annotated Anodyne O=C1COc2cc3[nH]c(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)nc3cc2N1 ZINC000586955508 JH Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)CC1 ZINC000586955522 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c(O)c4[nH]3)CC2)cc1 ZINC000586955764 JH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)CC2)cc1 ZINC000586955798 JH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000586955916 JH Annotated Anodyne CC(C)COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br ZINC000586956023 JH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2N)C1 ZINC000586956068 JH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 ZINC000586956080 JH Annotated Mild O=S(=O)(c1ccc(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1)N1CCC1 ZINC000586956139 JH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586956282 JH Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586956305 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586956332 JH Annotated Mild O=C1COc2cc3[nH]c(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)nc3cc2N1 ZINC000586956372 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c1 ZINC000586956381 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 ZINC000586956393 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586956406 JH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956414 JH Annotated Bother COc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956422 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586956452 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586956514 JH Annotated Bother COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c12 ZINC000586956561 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586956576 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c1OC ZINC000586956583 JH Annotated Anodyne COc1ccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956586 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586956646 JH Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586956678 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2n1 ZINC000586956725 JH Annotated Anodyne COc1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956747 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586956759 JH Annotated Bother COc1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956773 JH Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956847 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586956855 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586956872 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586956873 JH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)nc2cc1OC ZINC000586956875 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586956905 JH Annotated Anodyne COc1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956970 JH Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957199 JH Annotated Anodyne COc1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957361 JH Annotated Clean Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586957425 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586957532 JH Annotated Mild COC(=O)c1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586957533 JH Annotated Anodyne COC(=O)c1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586957534 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586957548 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586957549 JH Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@@](C)(N)c5ccc(S(=O)(=O)O)cc5)[nH]c4c3)o2)cc1 ZINC000586957550 JH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@](C)(N)c5ccc(S(=O)(=O)O)cc5)[nH]c4c3)o2)cc1 ZINC000586957551 JH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586957573 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586957574 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586957583 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586957596 JH Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586957611 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586957612 JH Annotated Anodyne O=[S@](CCCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957765 JH Annotated Anodyne O=[S@@](CCCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957767 JH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586957821 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586957822 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586957871 JH Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586957900 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586957902 JH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958021 JH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958024 JH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958027 JH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958029 JH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000586958143 JH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000586958145 JH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000586958146 JH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@H]2CCCC[C@H]21 ZINC000586958147 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586958210 JH Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586958234 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586958235 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586958293 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586958329 JH Annotated Mild CCCCOc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586958592 JH Annotated Anodyne CCCCOc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586958594 JH Annotated Anodyne CCCOc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586958629 JH Annotated Anodyne CCCOc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586958631 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586958700 JH Annotated Mild CC(C)(C)c1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586958721 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586958814 JH Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586958822 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958851 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958857 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958859 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958862 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586959033 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586959041 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586959065 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586959067 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586959088 JH Annotated Mild O=[N+]([O-])c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586959232 JH Annotated Bother O=[N+]([O-])c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586959234 JH Annotated Bother O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586959242 JH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586959315 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586959317 JH Annotated Anodyne CC(C)(SCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)O ZINC000586959330 JH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000586959494 JH Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586959501 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586959517 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586959555 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586959564 JH Annotated Mild CC(C)Oc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586959579 JH Annotated Anodyne CC(C)Oc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586959580 JH Annotated Anodyne COC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1OC ZINC000586959614 JH Annotated Anodyne COC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1OC ZINC000586959617 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586959631 JH Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c3c2)cc1 ZINC000586959729 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586959760 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586959761 JH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c3c2)cc1 ZINC000586959920 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000586959923 JH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000586959974 JH Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586960007 JH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 ZINC000586960030 JH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586960061 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586960065 JH Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960082 JH Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960090 JH Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960092 JH Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960094 JH Annotated Anodyne CC(C)COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586960189 JH Annotated Anodyne CC(C)COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586960191 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586960453 JH Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586960483 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586960486 JH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586960527 JH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586960528 JH Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586960586 JH Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586960770 JH Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586960771 JH Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586960772 JH Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586960773 JH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586960883 JH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586960885 JH Annotated Anodyne CC1=C(c2ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586961261 JH Annotated Anodyne CC1=C(c2ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586961265 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000586961449 JH Annotated Mild O=[S@](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961781 JH Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961783 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961892 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961895 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000586962384 JH Annotated Mild CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962406 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962409 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962413 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962415 JH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586962747 JH Annotated Mild Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1Cl ZINC000586963003 JH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586963280 JH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586963281 JH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Cl ZINC000586963324 JH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Cl ZINC000586963486 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc12 ZINC000586963982 JH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Cl ZINC000586964026 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586964317 JH Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586964475 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586964488 JH Annotated Anodyne CC(C)Cn1c(SCc2nc3c(O)nc(N)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964620 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586964643 JH Annotated Clean CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586964647 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586964704 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586964711 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(I)c2[nH]1 ZINC000586965001 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586965118 JH Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586965236 JH Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(I)cc2[nH]1 ZINC000586965359 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586965391 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586965424 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586965554 JH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586965590 JH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(I)cnc4[nH]3)n2C)cc1 ZINC000586965866 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966411 JH Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966496 JH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)n1 ZINC000586966523 JH Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966578 JH Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)c1 ZINC000586966831 JH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)n1 ZINC000586967091 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586967104 JH Annotated Anodyne Clc1ncc(I)c2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967221 JH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1C=O ZINC000586967950 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4ncccc4C(=O)O)[nH]c3c2)cc1 ZINC000586967957 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(Br)c[nH]c-3n2)C[C@H](C)O1 ZINC000586968000 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(Br)c[nH]c-3n2)C[C@@H](C)O1 ZINC000586968001 JH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(Br)c[nH]c-3n2)C[C@@H](C)O1 ZINC000586968002 JH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1C=O ZINC000586968108 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 ZINC000586968343 JH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1C=O ZINC000586968385 JH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1Cl ZINC000586968407 JH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1Cl ZINC000586968834 JH Annotated Anodyne CSCC(C)(C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586969016 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@H](C)O1 ZINC000586969156 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969157 JH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969160 JH Annotated Anodyne COC(=O)c1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cn1 ZINC000586969264 JH Annotated Anodyne COC(=O)c1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cn1 ZINC000586969265 JH Annotated Anodyne COC(=O)c1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cn1 ZINC000586969266 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@@H](C)O1 ZINC000586969734 JH Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@@H](C)O1 ZINC000586969738 JH Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@H](C)O1 ZINC000586969740 JH Annotated Bother COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2n1 ZINC000586969781 JH Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2n1 ZINC000586969783 JH Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2n1 ZINC000586969786 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@H](C)O1 ZINC000586969803 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@@H](C)O1 ZINC000586969807 JH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@@H](C)O1 ZINC000586969808 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@@H](C)O1 ZINC000586969853 JH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@@H](C)O1 ZINC000586969856 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@H](C)O1 ZINC000586969858 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969864 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)C[C@H](C)O1 ZINC000586969867 JH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969868 JH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(S)nc(S)nc3[nH]2)C[C@@H](C)O1 ZINC000586970076 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(S)nc(S)nc3[nH]2)C[C@@H](C)O1 ZINC000586970077 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(S)nc(S)nc3[nH]2)C[C@H](C)O1 ZINC000586970078 JH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586970381 JH Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586970382 JH Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000586970383 JH Annotated Bother COC(=O)c1ccnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000586970397 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc12 ZINC000586970398 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000586970399 JH Annotated Anodyne O=C(CBr)NCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586971346 JH Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 ZINC000586971895 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 ZINC000586971896 JH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586972251 JH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586972252 JH Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586973233 JH Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586973237 JH Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586973562 JH Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\CBr)nc1-2 ZINC000586973636 JH Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/CBr)nc1-2 ZINC000586973642 JH Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000586973985 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000586973986 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(F)cnc(Br)c3[nH]2)cc1OC ZINC000586974109 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(F)cnc(Br)c3[nH]2)cc1OC ZINC000586974112 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccc(I)c3[nH]2)cc1OC ZINC000586974148 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(I)c3[nH]2)cc1OC ZINC000586974151 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC ZINC000586974170 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC ZINC000586974174 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)c3cc(OC)c(OC)cc3Br)nc2c1 ZINC000586974191 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](N)c3cc(OC)c(OC)cc3Br)nc2c1 ZINC000586974193 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)c3cc(OC)c(OC)cc3Br)nc2c1 ZINC000586974196 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](N)c3cc(OC)c(OC)cc3Br)nc2c1 ZINC000586974197 JH Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586974496 JH Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(Br)c(C)nc3[nH]2)cc1OC ZINC000586974547 JH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000586974549 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)c(C)nc3[nH]2)cc1OC ZINC000586974552 JH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000586974559 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1OC ZINC000586974942 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1OC ZINC000586974947 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(I)cc3[nH]2)cc1OC ZINC000586975315 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(I)cc3[nH]2)cc1OC ZINC000586975317 JH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)c(O)c3[nH]2)cc1OC ZINC000586976097 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Br)c(O)c3[nH]2)cc1OC ZINC000586976098 JH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586976524 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586976631 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586976640 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586976650 JH Annotated Anodyne O=S(=O)(c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1)N1CCOCC1 ZINC000586976797 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586976945 JH Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3c(C)c(Br)cnc3[nH]2)cc1OC ZINC000586977153 JH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(C)c(Br)cnc3[nH]2)cc1OC ZINC000586977155 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586977315 JH Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Br)c1OC ZINC000586977332 JH Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Br)c1OC ZINC000586977333 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586977435 JH Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Br ZINC000586977695 JH Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Br ZINC000586977696 JH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1OC ZINC000586977741 JH Annotated Anodyne COC(=O)c1cccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586977774 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2cc1OC ZINC000586978064 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586978107 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586978173 JH Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1C#N ZINC000586978204 JH Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586978313 JH Annotated Bother N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586978332 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586978336 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586978359 JH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586978379 JH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586978413 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586978509 JH Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978529 JH Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586978597 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586978600 JH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586978626 JH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Br)c1OC ZINC000586978635 JH Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Br)c1OC ZINC000586978636 JH Annotated Anodyne Cc1nn(Cc2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1Br ZINC000586978715 JH Annotated Anodyne Nc1nc(O)c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2n1 ZINC000586978763 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 ZINC000586978812 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4nc(C)c(Br)c4C)[nH]c3c2)cc1 ZINC000586978971 JH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586980068 JH Annotated Bother CCOc1n[nH]c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Br ZINC000586980362 JH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1Br ZINC000586980452 JH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(I)cnc2[nH]1 ZINC000586980518 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586980527 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586980600 JH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586980610 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586980644 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1 ZINC000586983822 JH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586983931 JH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586983938 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983984 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983987 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1 ZINC000586984141 JH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586984317 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586984325 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586984328 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984411 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984412 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984427 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984428 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586984630 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586984632 JH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984634 JH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984635 JH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586984929 JH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1 ZINC000586985582 JH Annotated Anodyne CC(=O)N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1 ZINC000586985583 JH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586985680 JH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985749 JH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985751 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586986032 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586986033 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586986500 JH Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986937 JH Annotated Anodyne COC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CN1C(=O)OC(C)(C)C ZINC000586987486 JH Annotated Anodyne COC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CN1C(=O)OC(C)(C)C ZINC000586987488 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000586988413 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000586988416 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000586988417 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2CN1C(=O)OC)-c1ccccc1C5=O ZINC000586988418 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586988537 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586988538 JH Annotated Anodyne Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)nc(=O)n1Cc1ccccc1 ZINC000586988694 JH Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4ccc(O)c5c4c(c3[C@@H]2C[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988713 JH Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4ccc(O)c5c4c(c3[C@H]2C[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988714 JH Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4ccc(O)c5c4c(c3[C@@H]2C[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988715 JH Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4ccc(O)c5c4c(c3[C@H]2C[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000586988716 JH Annotated Anodyne O=C(CCN1C(=O)c2ccccc2C1=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988872 JH Annotated Anodyne O=C(O)CS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(F)c1 ZINC000586988879 JH Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989657 JH Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989658 JH Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989659 JH Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989660 JH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c(C(=O)N4CCC[C@H](CO)C4)c3)nc3ccc(O)c1c23 ZINC000586989667 JH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c(C(=O)N4CCC[C@@H](CO)C4)c3)nc3ccc(O)c1c23 ZINC000586989668 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C2)cc1 ZINC000586992922 JH Annotated Anodyne O=C(O)CCNS(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586993373 JH Annotated Anodyne O=C(O)CCCNS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993593 JH Annotated Anodyne CS(=O)(=O)N(c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1)S(C)(=O)=O ZINC000586994212 JH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)nc3ccc(O)c1c23 ZINC000586994483 JH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc3ccc(O)c1c23 ZINC000586994594 JH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586994613 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586995218 JH Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586995371 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996260 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586996468 JH Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586997257 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586997631 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000586997955 JH Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)NNC(=O)C1 ZINC000586999265 JH Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)NNC(=O)C1 ZINC000586999266 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000586999465 JH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc(I)cc2[nH]1 ZINC000586999475 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586999491 JH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999662 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586999778 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(I)cc2[nH]1 ZINC000586999839 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586999936 JH Annotated Bother CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)n1 ZINC000587000031 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000105 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000111 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000587000122 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587000152 JH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(S)nc(S)nc4[nH]3)cc2cc1Br ZINC000587000204 JH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3c2)NNC(=O)C1 ZINC000587000220 JH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2cc1Br ZINC000587000300 JH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)cc2cc1Br ZINC000587000537 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587000599 JH Annotated Bother CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2cc1Br ZINC000587000629 JH Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3c2)NNC(=O)C1 ZINC000587000658 JH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)N(C)C)ccc4[nH]3)cc2cc1Br ZINC000587000663 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(I)c2[nH]1 ZINC000587000678 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587000682 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587000783 JH Annotated Bother Cc1nc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2cc1Br ZINC000587000796 JH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 ZINC000587000806 JH Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000587000837 JH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587000977 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001086 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001087 JH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587001149 JH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587001278 JH Annotated Mild CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000587001311 JH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587001437 JH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)n1 ZINC000587001525 JH Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cc(I)cnc3[nH]2)c1 ZINC000587001552 JH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCn3ncc4cc(Br)ccc43)nc-2[nH]1 ZINC000587001775 JH Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003543 JH Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003544 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003641 JH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c2o1 ZINC000587003718 JH Annotated Anodyne CC1=C(c2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)NNC(=O)C1 ZINC000587003812 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003896 JH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(I)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587004250 JH Annotated Anodyne O=C1C[C@H](Cc2nc3cc(I)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587004251 JH Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)NNC(=O)C1 ZINC000587004581 JH Annotated Anodyne CC1=C(c2ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)NNC(=O)C1 ZINC000587004583 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004787 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004789 JH Annotated Anodyne CC(C)n1c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc(Br)c1Br ZINC000587005493 JH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1OC ZINC000587005978 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587006070 JH Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1OC ZINC000587006133 JH Annotated Anodyne Brc1cnc2c(-c3nc4c(Br)cnc(Br)c4[nH]3)cnn2c1 ZINC000587006215 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587006445 JH Annotated Anodyne O=c1c(-c2nc3nc(Br)c[nH]c-3n2)cc(Br)cn1Cc1ccccc1 ZINC000587006962 JH Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cn1 ZINC000587007180 JH Annotated Anodyne O=C1COc2cc3nc(-c4cc(Br)cn(Cc5ccccc5)c4=O)[nH]c3cc2N1 ZINC000587007288 JH Annotated Anodyne Clc1ncc(I)c2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007650 JH Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007686 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 ZINC000587007728 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnn5cc(Br)cnc45)[nH]c3c2)cc1 ZINC000587007789 JH Annotated Anodyne C[C@H](Br)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587008122 JH Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008139 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587008200 JH Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cl)CCl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587008205 JH Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc(C(C)(C)Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587008302 JH Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2n1 ZINC000587008879 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587009035 JH Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587009341 JH Annotated Reactive O=C(O)[C@H]1[C@H](c2nc3cncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009871 JH Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009873 JH Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009875 JH Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009878 JH Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cnncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010047 JH Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cnncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010048 JH Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cnncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010049 JH Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cnncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010050 JH Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(O)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010343 JH Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(O)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010344 JH Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(O)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010345 JH Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(O)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010346 JH Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587011307 JH Annotated Anodyne Nc1ncnc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011372 JH Annotated Anodyne Nc1ncnc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011373 JH Annotated Anodyne Nc1ncnc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011374 JH Annotated Anodyne Nc1ncnc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011375 JH Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cnnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012003 JH Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cnnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012004 JH Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cnnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012005 JH Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cnnc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012006 JH Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ncc[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012014 JH Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ncc[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012015 JH Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ncc[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012016 JH Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ncc[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012017 JH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(I)cnc3[nH]2)cs1 ZINC000587013899 JH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cs1 ZINC000587014073 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014247 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014557 JH Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)NNC(=O)C1 ZINC000587016668 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019115 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 ZINC000587019129 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019215 JH Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587019252 JH Annotated Anodyne O=C(Nc1nc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cs1)c1cccs1 ZINC000587019259 JH Annotated Anodyne O=C(Nc1nc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cs1)c1cccc(O)c1 ZINC000587019547 JH Annotated Anodyne O=C(Nc1nc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cs1)c1cccc(O)c1 ZINC000587019586 JH Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(I)cnc3[nH]2)cs1 ZINC000587019623 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019769 JH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(I)cnc3[nH]2)cs1)c1cccs1 ZINC000587019798 JH Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019810 JH Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587019851 JH Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587019906 JH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(I)cnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020109 JH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)s1 ZINC000587020611 JH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)s1 ZINC000587020614 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020630 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c3c2)cc1 ZINC000587020944 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587021124 JH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 ZINC000587023392 JH Annotated Clean O=C(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023487 JH Annotated Bother O=C(CCc1nc2c(Cl)c(Br)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023490 JH Annotated Anodyne O=C(CCc1nc2cccc(I)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023741 JH Annotated Anodyne O=C(CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023778 JH Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Br)cnc(Br)c3[nH]2)s1 ZINC000587023780 JH Annotated Anodyne O=C(CCc1nc2c(Br)cnc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023790 JH Annotated Anodyne O=C(CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024062 JH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 ZINC000587024243 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587024253 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 ZINC000587024310 JH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 ZINC000587024311 JH Annotated Mild O=C(CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1nnc(-c2ccncc2)s1 ZINC000587024333 JH Annotated Clean O=C(CCc1nc2ccc(I)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024389 JH Annotated Anodyne Nc1ccc(-c2ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3c2)cc1N ZINC000587024408 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nnc(S)s4)[nH]c3c2)cc1 ZINC000587024556 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025282 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025290 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)c3ccsc3)nc1-2 ZINC000587025347 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)c3ccsc3)nc1-2 ZINC000587025349 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025434 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025435 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025925 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026714 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026715 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026716 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026717 JH Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1cscn1 ZINC000587028222 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029061 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029489 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)N2 ZINC000587031268 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)N2 ZINC000587031275 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)N2 ZINC000587031278 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)N2 ZINC000587031280 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)O)cc3[nH]1)N2 ZINC000587031293 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)O)cc3[nH]1)N2 ZINC000587031297 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)O)cc3[nH]1)N2 ZINC000587031300 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)O)cc3[nH]1)N2 ZINC000587031303 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)N2 ZINC000587032469 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)N2 ZINC000587032470 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)N2 ZINC000587032471 JH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)N2 ZINC000587032473 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587032763 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)ccc2s1 ZINC000587032824 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5nc(O)[nH]c5cc4[nH]3)ccc2s1 ZINC000587032881 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)OCO5)ccc2s1 ZINC000587033123 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(=O)OC)c4[nH]3)ccc2s1 ZINC000587033145 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(=O)O)c4[nH]3)ccc2s1 ZINC000587033186 JH Annotated Anodyne Nc1c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587033313 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C#N)c(C#N)cc4[nH]3)ccc2s1 ZINC000587033486 JH Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 ZINC000587033513 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)OCCO5)ccc2s1 ZINC000587033543 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc2s1 ZINC000587033801 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)cc(C(=O)O)c4[nH]3)ccc2s1 ZINC000587033845 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)OC)c(OC)c4[nH]3)ccc2s1 ZINC000587033860 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)ccc2s1 ZINC000587033890 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)OC)cc4[nH]3)ccc2s1 ZINC000587033893 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587033987 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4nc(Br)c[nH]c-4n3)ccc2s1 ZINC000587034311 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)ccc2s1 ZINC000587034668 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc([C@H](N)N=O)cc4[nH]3)ccc2s1 ZINC000587034669 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)ccc2s1 ZINC000587034675 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)cc1 ZINC000587034691 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(=O)O)c(F)cc4[nH]3)ccc2s1 ZINC000587034717 JH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(CCO)cc4[nH]3)ccc2s1 ZINC000587034789 JH Annotated Anodyne O=C(NCc1nc2c(I)cnc(Cl)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035050 JH Annotated Anodyne O=C(NCc1nc2c(Br)cnc(Br)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035346 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc12 ZINC000587036858 JH Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc12 ZINC000587036864 JH Annotated Bother COC(=O)c1cc(Br)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587037039 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037228 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037231 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(I)cc4[nH]3)cc12 ZINC000587037794 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(I)cc4[nH]3)cc12 ZINC000587037802 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc12 ZINC000587038046 JH Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc12 ZINC000587038047 JH Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc12 ZINC000587038051 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc12 ZINC000587038053 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587038293 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(I)c4[nH]3)cc12 ZINC000587038427 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(I)c4[nH]3)cc12 ZINC000587038430 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000587038863 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000587038869 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc12 ZINC000587039005 JH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc12 ZINC000587039007 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1 ZINC000587039480 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1 ZINC000587039483 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc4nccn34)nc1-2 ZINC000587040409 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000587040641 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000587040644 JH Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c12 ZINC000587040738 JH Annotated Anodyne Cc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1Cl ZINC000587041105 JH Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c12 ZINC000587041198 JH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(I)cnc2[nH]1 ZINC000587041356 JH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(I)cnc2[nH]1 ZINC000587041358 JH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587041459 JH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587041460 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000587041568 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000587041569 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587041777 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587041782 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)cc1 ZINC000587041857 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)cc1 ZINC000587041860 JH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587042112 JH Annotated Anodyne O=S(=O)(c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1)N1CCOCC1 ZINC000587042116 JH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587042117 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042852 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042854 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587042964 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587042967 JH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C1=O ZINC000587043138 JH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C1=O ZINC000587043139 JH Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587043460 JH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587043461 JH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C1=O ZINC000587043769 JH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C1=O ZINC000587043770 JH Annotated Mild O=C1CSC[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)N1 ZINC000587043789 JH Annotated Bother O=C1CSC[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)N1 ZINC000587043790 JH Annotated Bother N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc3ccccc3cc2[nH]1 ZINC000587044976 JH Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046567 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 ZINC000587047885 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587047896 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587048117 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587048939 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587048940 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587049266 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587049268 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000587049578 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587049674 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587049967 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587049968 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000587050430 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000587050444 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587050607 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587051634 JH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587051636 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3c2)cc1 ZINC000587052005 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587054837 JH Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587054909 JH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587054910 JH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587055420 JH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587055423 JH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587055650 JH Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587055876 JH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587055879 JH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587056742 JH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587056743 JH Annotated Bother Cc1cc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061405 JH Annotated Anodyne Cc1cc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061476 JH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3nc(Br)c[nH]c-3n2)[C@H]1c1ccccc1Cl ZINC000587062491 JH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]1c1ccccc1Cl ZINC000587062599 JH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063063 JH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063311 JH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063716 JH Annotated Anodyne O=c1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064000 JH Annotated Bother COC(=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1OC ZINC000587065071 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 ZINC000587066766 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 ZINC000587067392 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070817 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070818 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1cccc(Cl)c1 ZINC000587071672 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1cccc(Cl)c1 ZINC000587071674 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587074088 JH Annotated Anodyne Cc1c(-c2nc3cc(I)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074739 JH Annotated Anodyne Cc1onc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078911 JH Annotated Bother Cc1nc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1Br ZINC000587079034 JH Annotated Bother COC(=O)c1cc(Br)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 ZINC000587079160 JH Annotated Bother Cc1onc(-c2nc3ncc(Br)c(C)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079196 JH Annotated Bother O=C(c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587079236 JH Annotated Clean Cc1onc(-c2nc3c(Br)cc(C#N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079422 JH Annotated Mild Cc1onc(-c2nc3cc(I)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079432 JH Annotated Bother Cc1onc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079581 JH Annotated Bother Cc1onc(-c2nc3c(Br)ncc(F)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079821 JH Annotated Bother C[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc(Cl)cn1 ZINC000587080114 JH Annotated Anodyne C[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc(Cl)cn1 ZINC000587080115 JH Annotated Anodyne Cc1onc(-c2nc3c(I)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080212 JH Annotated Bother Cc1onc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080573 JH Annotated Bother COC(=O)c1cc(Cl)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 ZINC000587080607 JH Annotated Bother Cc1onc(-c2nc3c(O)c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080712 JH Annotated Bother CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081952 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085083 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cnc(Cl)nc3)nc1-2 ZINC000587086183 JH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587087342 JH Annotated Mild N=c1[nH]c2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc-2c(Cl)[nH]1 ZINC000587087584 JH Annotated Anodyne NNC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087945 JH Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587088738 JH Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C(F)(F)C(F)F)nc12 ZINC000587088949 JH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(I)cnc2[nH]1 ZINC000587088978 JH Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089012 JH Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(O)nc(S)nc5[nH]4)(C3)C1)C2 ZINC000587089024 JH Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(-n6cnnn6)cc5[nH]4)(C3)C1)C2 ZINC000587089087 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587089097 JH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587089478 JH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587089781 JH Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587089892 JH Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000587090934 JH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(F)(F)F ZINC000587091054 JH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(F)(F)F ZINC000587091055 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)cc1 ZINC000587091256 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)cc1 ZINC000587091258 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000587091667 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091769 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)cc1 ZINC000587091849 JH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(F)(F)F ZINC000587091888 JH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(F)(F)F ZINC000587091889 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 ZINC000587091904 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 ZINC000587091905 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3nc(Br)c[nH]c-3n2)CC1 ZINC000587092146 JH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)nn1CC(F)(F)F ZINC000587092199 JH Annotated Bother COC(=O)c1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cn1 ZINC000587092306 JH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587092545 JH Annotated Bother COC(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2n1 ZINC000587092665 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 ZINC000587092697 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587092710 JH Annotated Bother COC(=O)c1ccnc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc12 ZINC000587092777 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(S)nc(S)nc3[nH]2)CC1 ZINC000587092789 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587093093 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587093134 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587093135 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587093434 JH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(I)cc3[nH]2)C(F)(F)F)n1 ZINC000587093726 JH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(I)cc3[nH]2)C(F)(F)F)n1 ZINC000587093729 JH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C(F)(F)F)n1 ZINC000587093753 JH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C(F)(F)F)n1 ZINC000587093755 JH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(I)cnc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587093889 JH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(I)cnc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587093895 JH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(I)cnc2[nH]1)C(F)(F)F ZINC000587093897 JH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(I)cnc2[nH]1)C(F)(F)F ZINC000587093898 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587094162 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587094163 JH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 ZINC000587094170 JH Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 ZINC000587094171 JH Annotated Bother Cc1csc([C@](O)(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 ZINC000587094427 JH Annotated Bother Cc1csc([C@@](O)(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 ZINC000587094428 JH Annotated Bother Cc1csc([C@](O)(Cc2nc3cccc(I)c3[nH]2)C(F)(F)F)n1 ZINC000587095087 JH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(I)c3[nH]2)C(F)(F)F)n1 ZINC000587095089 JH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C(F)(F)F)n1 ZINC000587095204 JH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C(F)(F)F)n1 ZINC000587095206 JH Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098298 JH Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098303 JH Annotated Anodyne Cc1ccc2c3c(cc(CCCCN4C(=O)[C@@H]5[C@@H](N=CN5C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098771 JH Annotated Anodyne Cc1ccc2c3c(cc(CCCCN4C(=O)[C@H]5[C@H](N=CN5C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098799 JH Annotated Anodyne Cc1ccc2c3c(cc(CCCCN4C(=O)[C@@H]5[C@H](N=CN5C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098802 JH Annotated Anodyne Cc1ccc2c3c(cc(CCCCN4C(=O)[C@H]5[C@@H](N=CN5C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098804 JH Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587099018 JH Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587099021 JH Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587099022 JH Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587099024 JH Annotated Anodyne CCOC(=O)c1nnn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C(=O)OCC ZINC000587099033 JH Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(S(=O)(=O)NCC(=O)O)c4)nc13)-c1ccccc1C2=O ZINC000587102415 JH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107940 JH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107942 JH Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107943 JH Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107945 JH Annotated Anodyne O=C1CCc2cc3nc([C@@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c3cc2N1 ZINC000587108377 JH Annotated Anodyne O=C1CCc2cc3nc([C@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c3cc2N1 ZINC000587108378 JH Annotated Anodyne N#Cc1nc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc-2[nH]c1C#N ZINC000587110568 JH Annotated Mild O=c1c(-c2nc3c(O)ncnc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110697 JH Annotated Anodyne Nc1ncc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2n1 ZINC000587110980 JH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587111154 JH Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587111186 JH Annotated Bother FC(F)(F)c1ccc(-c2nnn(Cc3nc4cccc(I)c4[nH]3)n2)cc1 ZINC000587111300 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587111329 JH Annotated Anodyne Nc1ncnc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587111627 JH Annotated Anodyne O=c1c(-c2nc3c(O)nc(O)nc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111757 JH Annotated Anodyne O=S(=O)(c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1)C(F)(F)F ZINC000587112150 JH Annotated Anodyne O=c1c(-c2nc3c(O)nncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112571 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587112613 JH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587112925 JH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587112928 JH Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(I)cc4[nH]3)n2)cc1 ZINC000587113341 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587113777 JH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587114136 JH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587114138 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(C(=O)OC)ccc4[nH]3)cc2)c1C(F)(F)F ZINC000587114498 JH Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587114581 JH Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587114583 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cnc(C(=O)OC)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115058 JH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(S(N)(=O)=O)c4[nH]3)nc2n1 ZINC000587115130 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)c1C(F)(F)F ZINC000587115512 JH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)nc2n1 ZINC000587115548 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1 ZINC000587116556 JH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116614 JH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(I)c2[nH]1 ZINC000587116718 JH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587117066 JH Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587117327 JH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCn3cc(Br)c(C(F)(F)F)n3)nc-2[nH]1 ZINC000587117396 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1 ZINC000587117407 JH Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587117624 JH Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587117625 JH Annotated Anodyne O=C1COc2cc3nc(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)[nH]c3cc2N1 ZINC000587117743 JH Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117917 JH Annotated Anodyne O=S(=O)(c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1)C(F)(F)F ZINC000587117948 JH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587118074 JH Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1Br ZINC000587118281 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3c2)cc1 ZINC000587118348 JH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(I)cnc3[nH]2)cc1Br ZINC000587118478 JH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(I)cc2[nH]1 ZINC000587118520 JH Annotated Bother CN1CCN(c2ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3c2)CC1 ZINC000587118530 JH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587118540 JH Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)nc1C(F)(F)F ZINC000587118593 JH Annotated Bother CC1=C(c2ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3c2)NNC(=O)C1 ZINC000587118605 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c3c2)cc1 ZINC000587118657 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118785 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119002 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119058 JH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc-2[nH]1 ZINC000587119292 JH Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119350 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587119418 JH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119475 JH Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119505 JH Annotated Bother O=S(=O)(c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1)C(F)(F)F ZINC000587119810 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120022 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120026 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587120112 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587120116 JH Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120163 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587120798 JH Annotated Bother Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587120808 JH Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(I)cc2[nH]1 ZINC000587120890 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587120909 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587120950 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587120968 JH Annotated Anodyne Nc1nc(O)c2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2n1 ZINC000587121019 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(I)c2[nH]1 ZINC000587121024 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c1 ZINC000587121047 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587121054 JH Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587121085 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587121090 JH Annotated Anodyne N=c1[nH]cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc-2[nH]1 ZINC000587121149 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587121170 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587121194 JH Annotated Bother Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587121231 JH Annotated Anodyne Oc1nc(O)c2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2n1 ZINC000587121238 JH Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587121610 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587122228 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587122231 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587122232 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587122234 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COC(F)(F)F)nc1-2 ZINC000587122643 JH Annotated Anodyne O=C(c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587122949 JH Annotated Anodyne Cc1cc(-c2nc3ncc(I)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123678 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587123727 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587123741 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587123747 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587123750 JH Annotated Anodyne O=S(=O)(c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1)N1CCOCC1 ZINC000587123865 JH Annotated Anodyne Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124245 JH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587126980 JH Annotated Bother O=S(=O)(c1ncccc1-c1nc2c(Br)ncc(Br)c2[nH]1)C(F)(F)F ZINC000587127079 JH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc21 ZINC000587127130 JH Annotated Clean O=S(=O)(c1ncccc1-c1nc2c(Cl)ncc(I)c2[nH]1)C(F)(F)F ZINC000587127362 JH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587127530 JH Annotated Bother CCOC(=O)c1cc(Br)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587127541 JH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(I)ccc2[nH]1)C(F)(F)F ZINC000587127564 JH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587127720 JH Annotated Clean Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587127777 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587127840 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)OC(F)(F)O6)nc3n2)cn1 ZINC000587128016 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)nc(C#N)c5[nH]4)nc3n2)cn1 ZINC000587128031 JH Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)nc3n2)cn1 ZINC000587128108 JH Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(F)cnc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128241 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Br)nc5[nH]4)nc3n2)cn1 ZINC000587128357 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(OCCN(C)C)cc5[nH]4)nc3n2)cn1 ZINC000587128358 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128369 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccnc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128387 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)c(C)cc5[nH]4)nc3n2)cn1 ZINC000587128454 JH Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128490 JH Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128491 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(-n6cccn6)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587128498 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cnc5[nH]4)nc3n2)cn1 ZINC000587128824 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)ncc5[nH]4)nc3n2)cn1 ZINC000587128828 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(C)cnc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128833 JH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C(N)=O)c5[nH]4)c3n2)cnn1C ZINC000587128984 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)OCCCO6)nc3n2)cn1 ZINC000587129027 JH Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1OC(F)F ZINC000587129157 JH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1OC(F)F ZINC000587129166 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)c(OC)cc5[nH]4)nc3n2)cn1 ZINC000587129419 JH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccnc(O)c5[nH]4)c3n2)cnn1C ZINC000587129439 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Br)ccnc5[nH]4)nc3n2)cn1 ZINC000587129441 JH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5[nH]c(=N)[nH]c(Cl)c-5n4)c3n2)cnn1C ZINC000587129457 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(C)=O)cc5[nH]4)nc3n2)cn1 ZINC000587129513 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc([N+](=O)[O-])cc5[nH]4)nc3n2)cn1 ZINC000587129747 JH Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(N)=O)cc5[nH]4)c3n2)cnn1C ZINC000587129840 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2c1 ZINC000587129995 JH Annotated Anodyne CCOC(=O)c1ccc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2c1 ZINC000587130378 JH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2n1 ZINC000587130420 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc([N+](=O)[O-])c5[nH]4)nc3n2)cn1 ZINC000587130449 JH Annotated Bother COC(=O)c1ccnc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c12 ZINC000587130767 JH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cn1 ZINC000587130778 JH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(O)nc(S)nc5[nH]4)c3n2)cnn1C ZINC000587130845 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc([N+](=O)[O-])c(C)cc5[nH]4)nc3n2)cn1 ZINC000587130893 JH Annotated Bother Cn1nc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130983 JH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)cc(OC)c5[nH]4)nc3n2)cn1 ZINC000587131214 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c3c2)cc1 ZINC000587131455 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 ZINC000587131467 JH Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(I)cnc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587131899 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C(F)(F)C1 ZINC000587131956 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C(F)(F)C1 ZINC000587131957 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132043 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132044 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132458 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132461 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(I)cnc3[nH]2)C(F)(F)C1 ZINC000587132790 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(I)cnc3[nH]2)C(F)(F)C1 ZINC000587132791 JH Annotated Anodyne COc1c(F)ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1N ZINC000587132877 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587133842 JH Annotated Anodyne O=S(=O)(NCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587133870 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133883 JH Annotated Mild O=S(=O)(NCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134063 JH Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134369 JH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc12 ZINC000587136293 JH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2c1 ZINC000587136389 JH Annotated Mild O=S(=O)(c1cc(Br)cc(-c2nc3cccc(Cl)c3[nH]2)c1F)N1CCOCC1 ZINC000587136695 JH Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(Cl)cc3[nH]2)c1F)N1CCOCC1 ZINC000587137023 JH Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2c1 ZINC000587139051 JH Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139309 JH Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2c1 ZINC000587139310 JH Annotated Anodyne Nc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1F ZINC000587139547 JH Annotated Anodyne Cc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1F ZINC000587139589 JH Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139671 JH Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc4ncccc4c3[nH]2)c1F)N1CCOCC1 ZINC000587139857 JH Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139862 JH Annotated Anodyne CCc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139903 JH Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139931 JH Annotated Anodyne Cc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1C ZINC000587140262 JH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2n1 ZINC000587140311 JH Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc12 ZINC000587140312 JH Annotated Anodyne Cc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1C ZINC000587140313 JH Annotated Anodyne C=CCc1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587140331 JH Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587140412 JH Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587140415 JH Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587140469 JH Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587140481 JH Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccccc4NS(=O)(=O)c4cc(F)ccc4F)nc3cc2N1 ZINC000587140514 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(CO)ccc3F)nc1-2 ZINC000587140547 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140626 JH Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2nc(Br)c[nH]c-2n1)c1cc(F)ccc1F ZINC000587140795 JH Annotated Anodyne Nc1ccc(F)c(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587141066 JH Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1)c1cc(F)ccc1F ZINC000587141419 JH Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587141790 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 ZINC000587141908 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 ZINC000587141909 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587142232 JH Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587142238 JH Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587142250 JH Annotated Anodyne COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143572 JH Annotated Anodyne N[C@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1F ZINC000587143602 JH Annotated Anodyne N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1F ZINC000587143603 JH Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F ZINC000587144293 JH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2F)c1 ZINC000587144465 JH Annotated Anodyne N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1F ZINC000587144879 JH Annotated Anodyne N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1F ZINC000587144881 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587145236 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587145237 JH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2)cc1F ZINC000587146970 JH Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587147203 JH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(F)c2)c1 ZINC000587147499 JH Annotated Anodyne O=C1C[C@@H](c2nc3ccc(I)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147637 JH Annotated Anodyne O=C1C[C@H](c2nc3ccc(I)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147638 JH Annotated Anodyne O=C1C[C@@H](c2nc3cccc(I)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148278 JH Annotated Anodyne O=C1C[C@H](c2nc3cccc(I)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148280 JH Annotated Anodyne O=C(c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587148369 JH Annotated Anodyne O=C(c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587148372 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3c2)cc1 ZINC000587148560 JH Annotated Bother O=C(O)c1cc(Br)cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587148737 JH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587148738 JH Annotated Anodyne O=C1C[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149570 JH Annotated Anodyne O=C1C[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149572 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587149645 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587149646 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587149905 JH Annotated Bother O=S(=O)(c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1)N1CCOCC1 ZINC000587151492 JH Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1)N1CCOCC1 ZINC000587151493 JH Annotated Anodyne O=C(c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587152201 JH Annotated Anodyne O=C(c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587152202 JH Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152683 JH Annotated Anodyne N#Cc1nc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2nc1C#N ZINC000587153113 JH Annotated Mild COC(=O)c1cc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2cc1OC ZINC000587153718 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 ZINC000587153803 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1OC ZINC000587154168 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154899 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154902 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154904 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154905 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587155477 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587155479 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587155484 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587155487 JH Annotated Anodyne Cn1nc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(F)c1O ZINC000587155909 JH Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156913 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157118 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157182 JH Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(S)nc(S)nc4[nH]3)o2)c1 ZINC000587157970 JH Annotated Anodyne O=C1COc2cc3[nH]c(CCc4nnc(-c5cc(F)ccc5Br)o4)nc3cc2N1 ZINC000587157982 JH Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1)N1CCOCC1 ZINC000587158187 JH Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4nc(Br)c[nH]c-4n3)o2)c1 ZINC000587158363 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159551 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587159575 JH Annotated Bother Fc1cccc(Cn2nnc(-c3nc4cc(I)cnc4[nH]3)c2Cl)c1 ZINC000587160289 JH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)nc-2[nH]1 ZINC000587161272 JH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161576 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162330 JH Annotated Anodyne O=C1CC=C(c2nc3c(Br)cnc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162885 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 ZINC000587163687 JH Annotated Anodyne O=C1CC=C(c2nc3c(I)cnc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164094 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 ZINC000587164741 JH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c21 ZINC000587164925 JH Annotated Clean NS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165443 JH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1C ZINC000587165634 JH Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165646 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587165795 JH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1C ZINC000587166034 JH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1C ZINC000587166096 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166299 JH Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1)N1CCOCC1 ZINC000587166571 JH Annotated Anodyne CC1=C(c2ccc3nc(-c4sccc4S(=O)(=O)Nc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587167280 JH Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587168464 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1)c1ccc(F)cc1 ZINC000587169616 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1)c1ccc(F)cc1 ZINC000587169617 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1 ZINC000587169666 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1 ZINC000587169667 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169675 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169676 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169695 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169696 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1OC ZINC000587169711 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1OC ZINC000587169712 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1 ZINC000587169986 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1 ZINC000587169991 JH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1OC ZINC000587170050 JH Annotated Anodyne COC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1OC ZINC000587170051 JH Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170073 JH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170074 JH Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587170103 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170218 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170219 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3c2)cc1 ZINC000587170500 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1)c1ccc(F)cc1 ZINC000587170856 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1)c1ccc(F)cc1 ZINC000587170861 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170926 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170927 JH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1)c1ccc(F)cc1 ZINC000587170944 JH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1)c1ccc(F)cc1 ZINC000587170946 JH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587171233 JH Annotated Anodyne CC1=C(c2ccc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587171235 JH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587171575 JH Annotated Bother O=[N+]([O-])c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587171576 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171614 JH Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC)ncc4[nH]2)cn3C2CC2)CC1 ZINC000587171901 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587171947 JH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587171948 JH Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4nc(Cl)c[nH]c-4n2)cn3C2CC2)CC1 ZINC000587171960 JH Annotated Anodyne COC(=O)c1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 ZINC000587172245 JH Annotated Anodyne COC(=O)c1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 ZINC000587172246 JH Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C#N)c(C#N)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172344 JH Annotated Mild COc1cncc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172380 JH Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc(OC)c4[nH]2)cn3C2CC2)CC1 ZINC000587172387 JH Annotated Anodyne COc1cncc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172489 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172527 JH Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172529 JH Annotated Bother COC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587172587 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587172588 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(CCO)cc4[nH]2)cn3C2CC2)C1 ZINC000587172636 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(CCO)cc4[nH]2)cn3C2CC2)C1 ZINC000587172637 JH Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(OC)c4[nH]2)cn3C2CC2)CC1 ZINC000587172656 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4nc(Cl)c[nH]c-4n2)cn3C2CC2)C1 ZINC000587172751 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4nc(Cl)c[nH]c-4n2)cn3C2CC2)C1 ZINC000587172752 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnc(Cl)[nH]c-4n2)cn3C2CC2)C1 ZINC000587172962 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnc(Cl)[nH]c-4n2)cn3C2CC2)C1 ZINC000587172963 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5nc(O)[nH]c5cc4[nH]2)cn3C2CC2)C1 ZINC000587172998 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5nc(O)[nH]c5cc4[nH]2)cn3C2CC2)C1 ZINC000587172999 JH Annotated Anodyne COc1nccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587173162 JH Annotated Anodyne COc1nccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587173163 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(S)nc(S)nc4[nH]2)cn3C2CC2)C1 ZINC000587173174 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(S)nc(S)nc4[nH]2)cn3C2CC2)C1 ZINC000587173175 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])cnc4[nH]2)cn3C2CC2)C1 ZINC000587173182 JH Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])cnc4[nH]2)cn3C2CC2)C1 ZINC000587173183 JH Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(CO)cc4[nH]2)cn3C2CC2)C1 ZINC000587173205 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(CO)cc4[nH]2)cn3C2CC2)C1 ZINC000587173206 JH Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 ZINC000587173408 JH Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 ZINC000587173409 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)ncnc4[nH]2)cn3C2CC2)C1 ZINC000587173458 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)ncnc4[nH]2)cn3C2CC2)C1 ZINC000587173459 JH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cnc4[nH]2)cn3C2CC2)C1 ZINC000587173483 JH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cnc4[nH]2)cn3C2CC2)C1 ZINC000587173484 JH Annotated Anodyne COc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587173494 JH Annotated Anodyne COc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587173495 JH Annotated Anodyne Nc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1N ZINC000587173505 JH Annotated Anodyne Nc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1N ZINC000587173506 JH Annotated Anodyne C[C@@]1(c2nc3c(I)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175343 JH Annotated Anodyne C[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175344 JH Annotated Anodyne COc1ncc(F)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587175840 JH Annotated Anodyne COc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1 ZINC000587176587 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(O)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176674 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C#N)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176719 JH Annotated Mild Cc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2n1 ZINC000587176768 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(O)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176772 JH Annotated Anodyne COc1cccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587176852 JH Annotated Anodyne Cc1cc2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2c(C)n1 ZINC000587176876 JH Annotated Anodyne Cc1nccc2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc12 ZINC000587176878 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccccc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176891 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(C#N)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176913 JH Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cncc(F)c3)nc1-2 ZINC000587176955 JH Annotated Anodyne Cc1cncc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587177048 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cncc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177081 JH Annotated Anodyne Cc1ccnc2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc12 ZINC000587177137 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccnc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177146 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Cl)ccnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177257 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Cl)nc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177263 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)ncc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177275 JH Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)cnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177341 JH Annotated Anodyne Cc1cnc2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2c1 ZINC000587177459 JH Annotated Anodyne COc1nccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178377 JH Annotated Anodyne COc1nccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178409 JH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587178415 JH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178467 JH Annotated Anodyne COc1ccc2nc(-c3cc(I)ccc3I)[nH]c2n1 ZINC000587178486 JH Annotated Anodyne COc1cc2nc(-c3cc(I)ccc3I)[nH]c2cn1 ZINC000587178510 JH Annotated Anodyne OCc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1 ZINC000587178574 JH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178625 JH Annotated Bother Oc1nccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178664 JH Annotated Anodyne OCCc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178728 JH Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(I)c1 ZINC000587178738 JH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178754 JH Annotated Bother Clc1ncnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178764 JH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178802 JH Annotated Bother OCCc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1 ZINC000587178806 JH Annotated Anodyne Clc1ncc2nc(-c3cc(I)ccc3I)nc-2[nH]1 ZINC000587178813 JH Annotated Anodyne Oc1nccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178861 JH Annotated Anodyne Fc1cnc2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178933 JH Annotated Anodyne COc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2n1 ZINC000587178950 JH Annotated Anodyne COc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cn1 ZINC000587179124 JH Annotated Anodyne Clc1c[nH]c2nc(-c3ccc(I)c(I)c3)nc-2n1 ZINC000587179159 JH Annotated Anodyne Clc1c[nH]c2nc(-c3cc(I)ccc3I)nc-2n1 ZINC000587179193 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2c1 ZINC000587179244 JH Annotated Anodyne COc1cncc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179297 JH Annotated Anodyne OCc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179386 JH Annotated Anodyne Clc1ncc2nc(-c3ccc(I)c(I)c3)nc-2[nH]1 ZINC000587179399 JH Annotated Anodyne Nc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1N ZINC000587179400 JH Annotated Anodyne Clc1ncnc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179419 JH Annotated Anodyne COc1cncc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179450 JH Annotated Anodyne Fc1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179471 JH Annotated Anodyne COc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(I)c1 ZINC000587179624 JH Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587179647 JH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587179688 JH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587179791 JH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(OC)c(C(=O)OC)ccc2[nH]1 ZINC000587179873 JH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(OC)c(C(=O)OC)ccc2[nH]1 ZINC000587179875 JH Annotated Anodyne COc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(I)c1 ZINC000587179893 JH Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(I)c1C(=O)O ZINC000587179943 JH Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587180069 JH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587180072 JH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587180165 JH Annotated Anodyne Cn1nc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(I)c1C(=O)O ZINC000587180191 JH Annotated Clean COc1cc(N)c(I)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587180281 JH Annotated Anodyne Cc1c(Br)cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1C ZINC000587180400 JH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587180445 JH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587180446 JH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587180494 JH Annotated Anodyne Cn1nc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(I)c1C(=O)O ZINC000587180504 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(OC)cc3I)[nH]c2c1 ZINC000587180626 JH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587180628 JH Annotated Anodyne Cn1nc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(I)c1C(=O)O ZINC000587180698 JH Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1C ZINC000587180721 JH Annotated Anodyne Cn1nc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180741 JH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587180930 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587181052 JH Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587181053 JH Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587181069 JH Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587181070 JH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cc(I)c(N)cc3OC)nc2c1 ZINC000587181313 JH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587181318 JH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587181378 JH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(OCCN(C)C)ccc2[nH]1 ZINC000587181413 JH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(OCCN(C)C)ccc2[nH]1 ZINC000587181414 JH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(=O)OC)c(OC)cc2[nH]1 ZINC000587181462 JH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(=O)OC)c(OC)cc2[nH]1 ZINC000587181464 JH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C3=C(C)CC(=O)NN3)ccc2[nH]1 ZINC000587181655 JH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(C3=C(C)CC(=O)NN3)ccc2[nH]1 ZINC000587181656 JH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000587181686 JH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000587181687 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c1 ZINC000587181713 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)n3ncc(I)c3C)nc2c1 ZINC000587181714 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587181716 JH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587181717 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587181748 JH Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587181749 JH Annotated Bother Cc1c(I)cnn1[C@H](C)c1nc2cccc(I)c2[nH]1 ZINC000587181766 JH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(I)c2[nH]1 ZINC000587181767 JH Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)n1 ZINC000587181808 JH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587181862 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587181863 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587182123 JH Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587182124 JH Annotated Mild CSc1sc(-c2nc3cnncc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182195 JH Annotated Anodyne CSc1sc(-c2nc3cncnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182323 JH Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587182331 JH Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)n1 ZINC000587182411 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(I)cc2[nH]1 ZINC000587182484 JH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(I)cc2[nH]1 ZINC000587182485 JH Annotated Anodyne CSc1sc(-c2nc3ccnc(N)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182521 JH Annotated Anodyne CSc1sc(-c2nc3ncc[nH]c-3n2)c(I)c1S(=O)(=O)C(C)C ZINC000587182580 JH Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)n1 ZINC000587182756 JH Annotated Anodyne CSc1sc(-c2nc3ccnc(O)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182760 JH Annotated Anodyne CSc1sc(-c2nc3cc(N)ncc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182811 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587182871 JH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587182881 JH Annotated Anodyne CSc1sc(-c2nc3c(N)ccnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183038 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587183099 JH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587183196 JH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587183198 JH Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)n1 ZINC000587183264 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587183289 JH Annotated Anodyne CCCOc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Br ZINC000587183442 JH Annotated Anodyne CC(C)Oc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Br ZINC000587183447 JH Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)n1 ZINC000587183449 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587183677 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587183678 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183898 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183899 JH Annotated Anodyne CC[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184067 JH Annotated Anodyne CC[C@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184068 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587184121 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587184122 JH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587184197 JH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587184198 JH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587184393 JH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587184394 JH Annotated Anodyne Cc1nc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2cc1Br ZINC000587184444 JH Annotated Anodyne Cc1nc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2cc1Br ZINC000587184445 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1I ZINC000587184530 JH Annotated Anodyne CC[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184635 JH Annotated Anodyne CC[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184636 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587184690 JH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587184810 JH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587184812 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Br)cc(Cl)cc3[nH]2)n1 ZINC000587184882 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1I ZINC000587185009 JH Annotated Anodyne CC[C@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185013 JH Annotated Anodyne CC[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185017 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Cl)cc(Br)cc3[nH]2)n1 ZINC000587185047 JH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587185185 JH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587185186 JH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587185205 JH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587185206 JH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 ZINC000587185240 JH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 ZINC000587185241 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)n1 ZINC000587185344 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)n1 ZINC000587185350 JH Annotated Anodyne CC[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1cc(I)c(C)n1 ZINC000587185471 JH Annotated Anodyne CC[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1cc(I)c(C)n1 ZINC000587185478 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2c1 ZINC000587185695 JH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2c1 ZINC000587185698 JH Annotated Anodyne Clc1ncc(I)c2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185775 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)n1 ZINC000587185892 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1I ZINC000587185954 JH Annotated Anodyne CC[C@H](c1nc2cc(I)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186065 JH Annotated Anodyne CC[C@@H](c1nc2cc(I)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186068 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1I ZINC000587186113 JH Annotated Anodyne CC[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186158 JH Annotated Anodyne CC[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186159 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1I ZINC000587186320 JH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186386 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)n1 ZINC000587186427 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1I ZINC000587186451 JH Annotated Anodyne CC[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186472 JH Annotated Anodyne CC[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186473 JH Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)n1 ZINC000587186507 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1I ZINC000587186523 JH Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1I ZINC000587186542 JH Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186793 JH Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3nccnc3I)nc12 ZINC000587186795 JH Annotated Anodyne Cc1nc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1Br ZINC000587186863 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186864 JH Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587187005 JH Annotated Anodyne N#Cc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1O ZINC000587188034 JH Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc4ncc(I)n4c3)nc1-2 ZINC000587188242 JH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc4ncc(I)n4c3)nc-2[nH]1 ZINC000587188955 JH Annotated Anodyne C#CCN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189832 JH Annotated Reactive C#CCN(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189910 JH Annotated Mild N#Cc1ccc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587190056 JH Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587191267 JH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587191269 JH Annotated Anodyne N#Cc1cc(O)cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587191992 JH Annotated Mild C#CCN(Cc1nc2c(O)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193088 JH Annotated Mild COC(=O)c1cc(Br)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 ZINC000587193202 JH Annotated Anodyne O=C(O)CCN(CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Cc1ccccc1 ZINC000587193281 JH Annotated Clean CN(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193439 JH Annotated Anodyne O=C(O)CCN(CCc1nc2c(I)cnc(Cl)c2[nH]1)Cc1ccccc1 ZINC000587193548 JH Annotated Anodyne C#CCN(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193825 JH Annotated Mild CN(CCc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193945 JH Annotated Reactive C#CCN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194001 JH Annotated Mild C#CCN(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194029 JH Annotated Mild CN(CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194049 JH Annotated Anodyne CN(CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194243 JH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587194406 JH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587194407 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587194422 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587194423 JH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C[C@H]1CCCO1 ZINC000587195234 JH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C[C@@H]1CCCO1 ZINC000587195236 JH Annotated Anodyne C=CCc1cccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c12 ZINC000587195653 JH Annotated Mild CN(C)c1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)nc1 ZINC000587195678 JH Annotated Anodyne CN(C)c1ncccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587196507 JH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197013 JH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197014 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197139 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197140 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197435 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197436 JH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c3c2)NNC(=O)C1 ZINC000587198044 JH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000587198881 JH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587198893 JH Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198932 JH Annotated Anodyne CC(C)[C@@H](c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1)N(C)C ZINC000587199005 JH Annotated Anodyne CCCCCOc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587203494 JH Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587203496 JH Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587203595 JH Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587203596 JH Annotated Anodyne C=C(NC(C)=O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587204627 JH Annotated Bother CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587205112 JH Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587205113 JH Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587205116 JH Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587205117 JH Annotated Anodyne O=C(O)CCNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587208981 JH Annotated Anodyne CS(=O)(=O)N(c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1)S(C)(=O)=O ZINC000587209163 JH Annotated Anodyne CC(=O)[C@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)CC5)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000587215235 JH Annotated Mild CC(=O)[C@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)CC5)c(O)c(C)c(O)c3[C@]2(C)C1=O ZINC000587215236 JH Annotated Mild CC(=O)[C@@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)CC5)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000587215239 JH Annotated Mild CC(=O)[C@@H]1C(=O)C=C2Oc3c(-c4cc5c6c(cccc6n4)CC5)c(O)c(C)c(O)c3[C@]2(C)C1=O ZINC000587215241 JH Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@]2(O)[C@H](O)CO ZINC000587215664 JH Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)[C@@]12C ZINC000587215858 JH Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)[C@]12C ZINC000587215859 JH Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)[C@]12C ZINC000587215860 JH Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)[C@@]12C ZINC000587215861 JH Annotated Mild c1cc2c3c(cc(-c4ccc5c(c4)OCCOCCOCCOCCOCCO5)nc3c1)CC2 ZINC000587216245 JH Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587217596 JH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587217598 JH Annotated Anodyne COC(=O)c1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587218037 JH Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587218038 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587218125 JH Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587218126 JH Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587218343 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587218348 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587218979 JH Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587218981 JH Annotated Bother COC(=O)c1ccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587219309 JH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587219311 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)nc2c1 ZINC000587220232 JH Annotated Anodyne COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587221718 JH Annotated Bother CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587221963 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587221972 JH Annotated Anodyne COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587222657 JH Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587223277 JH Annotated Bother CCOC(=O)CNc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587224228 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587224337 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587224788 JH Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587224886 JH Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587224888 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587225079 JH Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587225164 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587225251 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587225460 JH Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000587226202 JH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNC(=O)CNC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587226683 JH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587227009 JH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587227029 JH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587227031 JH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587227032 JH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587227083 JH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587227817 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(I)c3[nH]2)cc1 ZINC000587227981 JH Annotated Anodyne O=C(NCCc1nc2c(I)cnc(Cl)c2[nH]1)OCc1ccccc1 ZINC000587228242 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(I)cc3[nH]2)cc1 ZINC000587228685 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587228984 JH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587229047 JH Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCCC[C@@H]3C(=O)NCCOC)nc2c1 ZINC000587229402 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCC[C@@H]3C(=O)NCCOC)nc2c1 ZINC000587229405 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCCC[C@H]3C(=O)NCCOC)nc2c1 ZINC000587229409 JH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCC[C@H]3C(=O)NCCOC)nc2c1 ZINC000587229411 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587229418 JH Annotated Anodyne O=C(O)CNCCNCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587229466 JH Annotated Reactive CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587230622 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587231184 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587231264 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587231444 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587231458 JH Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587231592 JH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587231750 JH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587231751 JH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587231752 JH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587231753 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587231754 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587231788 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587231789 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587232344 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587232514 JH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587232557 JH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 ZINC000587232643 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 ZINC000587233872 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCC(O)CC1 ZINC000587234119 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 ZINC000587234124 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC(O)CC1 ZINC000587234394 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C4(NC(C)=O)CCC(C)CC4)[nH]c3c2)cc1 ZINC000587234524 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC(O)CC1 ZINC000587234768 JH Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCC(=O)CC1 ZINC000587234780 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234784 JH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 ZINC000587234980 JH Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)c1 ZINC000587235304 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCC(=O)CC1 ZINC000587236053 JH Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587236146 JH Annotated Bother CNC(=O)[C@@H]1C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587236147 JH Annotated Bother CNC(=O)[C@H]1C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587236148 JH Annotated Bother CNC(=O)[C@H]1C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587236149 JH Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCC(O)CC1 ZINC000587236653 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCC(O)CC1 ZINC000587236656 JH Annotated Clean CC(C)(C)OC(=O)NC1(c2nc3cccc(I)c3[nH]2)CCC(O)CC1 ZINC000587236680 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(I)cc3[nH]2)CCC(O)CC1 ZINC000587236702 JH Annotated Anodyne O=C(NC1(c2nc3cnnc(O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237041 JH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCC(O)CC1 ZINC000587237179 JH Annotated Anodyne Nc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cn1 ZINC000587237710 JH Annotated Anodyne N#Cc1nc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2nc1C#N ZINC000587237720 JH Annotated Mild Nc1nccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237859 JH Annotated Anodyne N=c1[nH]c2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc-2c(Cl)[nH]1 ZINC000587237869 JH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1OC ZINC000587238053 JH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1OC ZINC000587238054 JH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1OC ZINC000587238056 JH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1OC ZINC000587238058 JH Annotated Anodyne NNC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587238085 JH Annotated Reactive O=C(NC1(c2nc3c(O)nc(S)nc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238100 JH Annotated Anodyne O=C(NC1(c2nc3c(O)ncnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238629 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Br)c[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238659 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Br)c[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238660 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Br)c[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238661 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Br)c[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238662 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238851 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238854 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238855 JH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238857 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2cc1OC ZINC000587239175 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2cc1OC ZINC000587239176 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2cc1OC ZINC000587239177 JH Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2cc1OC ZINC000587239178 JH Annotated Anodyne CC1=C(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587239752 JH Annotated Anodyne CC1=C(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587239755 JH Annotated Anodyne CC1=C(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587239756 JH Annotated Anodyne CC1=C(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587239758 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240019 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240033 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240035 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240037 JH Annotated Anodyne CN1CCN(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)CC1 ZINC000587240339 JH Annotated Anodyne CN1CCN(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)CC1 ZINC000587240342 JH Annotated Anodyne CN1CCN(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)CC1 ZINC000587240344 JH Annotated Anodyne CN1CCN(c2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)CC1 ZINC000587240346 JH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000587240374 JH Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(O)c1 ZINC000587240417 JH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240816 JH Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240817 JH Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240818 JH Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240819 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1 ZINC000587242240 JH Annotated Anodyne NC(=O)Nc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587242594 JH Annotated Anodyne NC(=O)Nc1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000587243097 JH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587243836 JH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 ZINC000587243969 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 ZINC000587244868 JH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587245194 JH Annotated Anodyne NCc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587245939 JH Annotated Anodyne NCCOCCOCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587246049 JH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Br)cnc(Br)c3[nH]1)C2 ZINC000587246180 JH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(Br)cnc(Br)c3[nH]1)C2 ZINC000587246182 JH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(I)cnc(Cl)c3[nH]1)C2 ZINC000587246270 JH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(I)cnc(Cl)c3[nH]1)C2 ZINC000587246273 JH Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587246485 JH Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587247094 JH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]1)C2 ZINC000587247218 JH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]1)C2 ZINC000587247219 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]4(N)CCc5cc(OC)ccc5C4)[nH]c3c2)cc1 ZINC000587247701 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(N)CCc5cc(OC)ccc5C4)[nH]c3c2)cc1 ZINC000587247702 JH Annotated Anodyne N#Cc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1N ZINC000587248471 JH Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587250835 JH Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587250916 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 ZINC000587251368 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)cc1 ZINC000587252344 JH Annotated Anodyne Nc1cnc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)nc1 ZINC000587252624 JH Annotated Bother CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587255545 JH Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)=C1N ZINC000587255830 JH Annotated Bother CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587256950 JH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)CCC(=O)Nc4ccc5ccccc5c4)[nH]c3c2)NNC(=O)C1 ZINC000587258681 JH Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587259889 JH Annotated Bother N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587260387 JH Annotated Bother COC(=O)CC[C@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587260504 JH Annotated Bother COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261084 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(OC)cc([N+](=O)[O-])c4OC)[nH]c3c2)cc1 ZINC000587261211 JH Annotated Bother COc1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261214 JH Annotated Bother COCCNc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261372 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000587261390 JH Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261647 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261649 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 ZINC000587261708 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261829 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261830 JH Annotated Bother O=CC(C=O)c1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262083 JH Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587262119 JH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587262178 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587262179 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C#Cc4ccc([N+](=O)[O-])c(C)c4)[nH]c3c2)cc1 ZINC000587262422 JH Annotated Mild COc1cc(OCc2nc3c(I)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262524 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262587 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc([N+](=O)[O-])c(OC)c4)[nH]c3c2)cc1 ZINC000587262618 JH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(OC)c3)nc2c1 ZINC000587262622 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(Br)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262649 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)c(F)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262732 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(F)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262743 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587262825 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587262827 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(I)cnc2[nH]1 ZINC000587262846 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(I)cnc2[nH]1 ZINC000587262848 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4c(Cl)c(Br)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262875 JH Annotated Bother COc1cc(OCc2nc3c(Br)cnc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262903 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262916 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262942 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(F)c(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262965 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262981 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262982 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262984 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262986 JH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CC2)ccc1[N+](=O)[O-] ZINC000587263115 JH Annotated Clean NC(=O)c1cc(N2CCC(c3nc4c(Br)cnc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263252 JH Annotated Bother N#Cc1cc(Br)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 ZINC000587263299 JH Annotated Mild Cc1c(Br)ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587263535 JH Annotated Bother Cc1c(Br)ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587263536 JH Annotated Bother Cc1c(Br)ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587263537 JH Annotated Bother Cc1c(Br)ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587263538 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587263553 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587263554 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587263555 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587263556 JH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587263561 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587263562 JH Annotated Mild C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587263563 JH Annotated Mild C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587263564 JH Annotated Mild C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587263565 JH Annotated Mild C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587263700 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587263701 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587263702 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587263704 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587263755 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587263761 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263767 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263768 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263769 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263770 JH Annotated Bother Cc1cc(Br)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587263796 JH Annotated Bother Cc1cc(Br)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587263797 JH Annotated Bother Cc1cc(Br)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587263798 JH Annotated Bother Cc1cc(Br)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587263799 JH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263861 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263992 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263994 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263996 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263998 JH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(I)cnc2[nH]1 ZINC000587264187 JH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264260 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264297 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587264321 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587264323 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587264324 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587264325 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587264326 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587264381 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587264386 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587264387 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587264388 JH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264396 JH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264397 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587264528 JH Annotated Mild C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587264534 JH Annotated Mild C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587264536 JH Annotated Mild C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587264538 JH Annotated Mild Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587264540 JH Annotated Bother Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587264542 JH Annotated Bother Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587264543 JH Annotated Bother Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587264545 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587264553 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587264554 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587264555 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587264556 JH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587264706 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587264894 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587264895 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587264896 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587264897 JH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587265038 JH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265049 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265295 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265296 JH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265297 JH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265298 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587265374 JH Annotated Clean C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587265375 JH Annotated Clean C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587265376 JH Annotated Clean C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587265377 JH Annotated Clean C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587265423 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587265424 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587265425 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587265427 JH Annotated Bother Cc1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587265538 JH Annotated Bother Cc1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587265539 JH Annotated Bother Cc1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587265540 JH Annotated Bother Cc1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587265541 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587265729 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587265730 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587265733 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587265737 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587265740 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587265753 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587265757 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587265762 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587265933 JH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587265941 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587265954 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587265962 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587265964 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587265966 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587266007 JH Annotated Bother COCCOc1ccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266030 JH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587266045 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587266074 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587266075 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587266076 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587266086 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587266087 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587266088 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587266089 JH Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5C(=O)C[C@@H](C)[C@@H]5C[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587266224 JH Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5C(=O)C[C@H](C)[C@H]5C[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587266225 JH Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5C(=O)C[C@@H](C)[C@H]5C[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587266226 JH Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5C(=O)C[C@H](C)[C@@H]5C[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587266229 JH Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587266231 JH Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587266235 JH Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587266236 JH Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587266238 JH Annotated Bother COCCOc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587266495 JH Annotated Bother COCCOc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266510 JH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587266529 JH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587266953 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(I)cc2[nH]1 ZINC000587267087 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(I)cc2[nH]1 ZINC000587267090 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(I)cc2[nH]1 ZINC000587267094 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(I)cc2[nH]1 ZINC000587267096 JH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(I)c2[nH]1 ZINC000587267364 JH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(I)c2[nH]1 ZINC000587267365 JH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(I)c2[nH]1 ZINC000587267367 JH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(I)c2[nH]1 ZINC000587267370 JH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(I)cnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267550 JH Annotated Bother CC1=C(c2ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 ZINC000587267826 JH Annotated Bother Nc1ncc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267958 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587268175 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4c([N+](=O)[O-])cnn4C(C)C)[nH]c3c2)cc1 ZINC000587268477 JH Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587268544 JH Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587268706 JH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587268738 JH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000587268816 JH Annotated Bother O=C(O)c1cc(Br)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587269155 JH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000587269261 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)cc1 ZINC000587269307 JH Annotated Bother N[C@@H](CCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269361 JH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587269486 JH Annotated Bother N[C@@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269495 JH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000587269583 JH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000587269713 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587269770 JH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)nn2)c1 ZINC000587270101 JH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000587270474 JH Annotated Bother N[C@@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270503 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587270525 JH Annotated Bother CCCOc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587270578 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587270983 JH Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 ZINC000587271078 JH Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587271238 JH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 ZINC000587272088 JH Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587272729 JH Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587273096 JH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587273098 JH Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)CCBr ZINC000587273294 JH Annotated Reactive O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)CCBr ZINC000587273296 JH Annotated Reactive Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)c5c(CO)oc6cc(Br)cnc56)(C4)C2)C3)n1 ZINC000587273359 JH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587273568 JH Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587273807 JH Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)n1 ZINC000587273923 JH Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587274150 JH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587274153 JH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587274227 JH Annotated Bother O=C(c1cc([N+](=O)[O-])ccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587274441 JH Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1 ZINC000587274640 JH Annotated Bother O=C(c1ccccc1I)c1c(CO)oc2cc(Br)cnc12 ZINC000587275460 JH Annotated Anodyne O=C(c1cccc(I)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275481 JH Annotated Anodyne O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275703 JH Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000587275749 JH Annotated Anodyne O=C(CCCS(=O)(=O)c1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275775 JH Annotated Anodyne Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276326 JH Annotated Bother COc1ccc(S(=O)(=O)CCCC(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276444 JH Annotated Anodyne O=C(CCCS(=O)(=O)Cc1ccccc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276536 JH Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276585 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276588 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276589 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276590 JH Annotated Clean O=C(c1c(CO)oc2cc(Br)cnc12)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000587276686 JH Annotated Anodyne O=C(c1ccc(I)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276832 JH Annotated Anodyne CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276966 JH Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)CC1 ZINC000587276975 JH Annotated Anodyne Cc1ccc(S(=O)(=O)CCCC(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276987 JH Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000587276994 JH Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000587276995 JH Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277109 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277110 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277112 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277113 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277314 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277315 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277316 JH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277317 JH Annotated Clean NC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587319486 JH Annotated Reactive NC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587319488 JH Annotated Reactive NC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587319491 JH Annotated Reactive NC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587319494 JH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587322562 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587322565 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587322566 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587322568 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(C(=O)CBr)[C@@H]1c1ccc(F)cc1 ZINC000587322629 JH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C(=O)CBr)[C@H]1c1ccc(F)cc1 ZINC000587322635 JH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C(=O)CBr)[C@@H]1c1ccc(F)cc1 ZINC000587322637 JH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C(=O)CBr)[C@H]1c1ccc(F)cc1 ZINC000587322638 JH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587323226 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587323229 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587323231 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587323232 JH Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587323731 JH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587323732 JH Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587323733 JH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587323734 JH Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ncc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325221 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ncc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325223 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ncc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325224 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ncc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325227 JH Annotated Anodyne NC(=O)COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326753 JH Annotated Reactive NC(=O)COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326756 JH Annotated Reactive NC(=O)COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326757 JH Annotated Reactive NC(=O)COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326759 JH Annotated Reactive CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328048 JH Annotated Anodyne CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328052 JH Annotated Anodyne CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328054 JH Annotated Anodyne CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328057 JH Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(N)=O ZINC000587329984 JH Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(N)=O ZINC000587329985 JH Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(N)=O ZINC000587329986 JH Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(N)=O ZINC000587329987 JH Annotated Reactive CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587330485 JH Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587330487 JH Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587330488 JH Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587330490 JH Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587331377 JH Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587331382 JH Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587331388 JH Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587331392 JH Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331534 JH Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331540 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587332657 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587332662 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587332664 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587332665 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332718 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332729 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332733 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332735 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333247 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333250 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333253 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333256 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333257 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333259 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333261 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333264 JH Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587333516 JH Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587333528 JH Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587333540 JH Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587333544 JH Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333773 JH Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333778 JH Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333779 JH Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333780 JH Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587334039 JH Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587334040 JH Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587334043 JH Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587334046 JH Annotated Anodyne Nc1ccc(O)c2c1C1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(N)ccc(O)c1C2=O ZINC000587334576 JH Annotated Anodyne Nc1ccc(O)c2c1C1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(N)ccc(O)c1C2=O ZINC000587334581 JH Annotated Anodyne C[C@@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334626 JH Annotated Mild C[C@@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334632 JH Annotated Mild C[C@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334633 JH Annotated Mild C[C@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334636 JH Annotated Mild O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334980 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334983 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334984 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334986 JH Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336096 JH Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336097 JH Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336098 JH Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336099 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336396 JH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587336402 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336406 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336410 JH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587336413 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336415 JH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587336419 JH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587336427 JH Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587336636 JH Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587336646 JH Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587336651 JH Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587336657 JH Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587337622 JH Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587337623 JH Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587337624 JH Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587337625 JH Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337661 JH Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337664 JH Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337666 JH Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337668 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCCCCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587337918 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCCCCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587337926 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCCCCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587337943 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCCCCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587337949 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338568 JH Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338576 JH Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338579 JH Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338581 JH Annotated Mild Nc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338827 JH Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338828 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338839 JH Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338840 JH Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338841 JH Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338842 JH Annotated Bother COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N=O ZINC000587338981 JH Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N=O ZINC000587338982 JH Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N=O ZINC000587338983 JH Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N=O ZINC000587338986 JH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339922 JH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339928 JH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339930 JH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339932 JH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340387 JH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340389 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340392 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340394 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340396 JH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340398 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340400 JH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340401 JH Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341073 JH Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341085 JH Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341089 JH Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341092 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341096 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341105 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341106 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341107 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341160 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341165 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341170 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341176 JH Annotated Anodyne C[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587341226 JH Annotated Reactive C[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587341230 JH Annotated Reactive C[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587341233 JH Annotated Reactive C[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)NN ZINC000587341234 JH Annotated Reactive CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341530 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341534 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341537 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341542 JH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2CC(=O)O ZINC000587341721 JH Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2CC(=O)O ZINC000587341724 JH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2CC(=O)O ZINC000587341726 JH Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2CC(=O)O ZINC000587341728 JH Annotated Anodyne O=C(O)CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342178 JH Annotated Anodyne O=C(O)CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342181 JH Annotated Anodyne O=C(O)CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342183 JH Annotated Anodyne O=C(O)CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342186 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342216 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342217 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342219 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342221 JH Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342411 JH Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342412 JH Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342413 JH Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342414 JH Annotated Anodyne NC[C@@]1(c2ncn(Cc3ccccc3)c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342439 JH Annotated Anodyne NC[C@@]1(c2ncn(Cc3ccccc3)c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342440 JH Annotated Anodyne NC[C@]1(c2ncn(Cc3ccccc3)c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342441 JH Annotated Anodyne NC[C@]1(c2ncn(Cc3ccccc3)c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342442 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342666 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342668 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342671 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342672 JH Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342823 JH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342824 JH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342825 JH Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342827 JH Annotated Anodyne C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342973 JH Annotated Anodyne C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342974 JH Annotated Anodyne C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342975 JH Annotated Anodyne C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342976 JH Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587343029 JH Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587343030 JH Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587343031 JH Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587343032 JH Annotated Anodyne CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343616 JH Annotated Bother CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343621 JH Annotated Bother CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343622 JH Annotated Bother CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343626 JH Annotated Bother COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343824 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343829 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343833 JH Annotated Anodyne CN(C)/C=C/[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343837 JH Annotated Bother COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343838 JH Annotated Anodyne CN(C)/C=C/[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343841 JH Annotated Bother CN(C)/C=C\[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343842 JH Annotated Bother CN(C)/C=C\[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343845 JH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCCCCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587344285 JH Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCCCCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587344286 JH Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCCCCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587344287 JH Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCCCCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587344288 JH Annotated Mild CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587344558 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587344561 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587344564 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587344567 JH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344970 JH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344973 JH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344978 JH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344980 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345010 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345018 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345022 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345025 JH Annotated Anodyne Cn1ncc2c(N3CCC4(CC3)Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)ncnc21 ZINC000587345446 JH Annotated Anodyne Cn1ncc2c(N3CCC4(CC3)Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)ncnc21 ZINC000587345452 JH Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587345672 JH Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587345673 JH Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587345674 JH Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587345675 JH Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346676 JH Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346677 JH Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346681 JH Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346683 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346942 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346943 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346944 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346945 JH Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347177 JH Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347183 JH Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347186 JH Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347187 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587347274 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587347275 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587347278 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587347281 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347347 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347348 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347460 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347467 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347468 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347470 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347471 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347473 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347475 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347477 JH Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N3CCC2 ZINC000587347656 JH Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N3CCC2 ZINC000587347659 JH Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@]1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)C(=O)N3CCC2 ZINC000587347661 JH Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@@]1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)C(=O)N3CCC2 ZINC000587347664 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347711 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347714 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348504 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348506 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349157 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349158 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350566 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350567 JH Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351784 JH Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351787 JH Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351790 JH Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351793 JH Annotated Anodyne COc1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587352404 JH Annotated Anodyne COc1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587352412 JH Annotated Anodyne COc1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587352414 JH Annotated Anodyne COc1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587352415 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354524 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354526 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354527 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354530 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354916 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354918 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354924 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354926 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355194 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355226 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355229 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355234 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355587 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355588 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355591 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355593 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356453 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356456 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356457 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356461 JH Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)O1 ZINC000587356466 JH Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)O1 ZINC000587356468 JH Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)O1 ZINC000587356471 JH Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)O1 ZINC000587356474 JH Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2O1 ZINC000587358697 JH Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2O1 ZINC000587358703 JH Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2O1 ZINC000587358705 JH Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2O1 ZINC000587358708 JH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359950 JH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359954 JH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359957 JH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359959 JH Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360262 JH Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360267 JH Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360270 JH Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360273 JH Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360871 JH Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360874 JH Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360876 JH Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360882 JH Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587361575 JH Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587361576 JH Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587361577 JH Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587361578 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587361628 JH Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587361629 JH Annotated Unstable O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587361630 JH Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587361631 JH Annotated Unstable COC(=O)c1nnn(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C(=O)OC ZINC000587362026 JH Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)cc1 ZINC000587368029 JH Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)cc1 ZINC000587368031 JH Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)cc1 ZINC000587368033 JH Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)cc1 ZINC000587368034 JH Annotated Anodyne O=C(CCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000587368323 JH Annotated Anodyne O=C(O)CS[C@H](O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369140 JH Annotated Anodyne O=C(O)CS[C@H](O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369141 JH Annotated Anodyne O=C(O)CS[C@H](O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369142 JH Annotated Anodyne O=C(O)CS[C@H](O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369143 JH Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369219 JH Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369220 JH Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369221 JH Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369222 JH Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587369280 JH Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587369281 JH Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587369282 JH Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587369283 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587369346 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587369347 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587369348 JH Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587369349 JH Annotated Anodyne Cc1cc(I)cc(-c2ccc3c(O)nc(O)nc3n2)c1NC(=O)C(F)(F)F ZINC000587369447 JH Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587369544 JH Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587369545 JH Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369548 JH Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369549 JH Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369550 JH Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369551 JH Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369858 JH Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369859 JH Annotated Anodyne COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369860 JH Annotated Anodyne COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369861 JH Annotated Anodyne C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369880 JH Annotated Anodyne C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369881 JH Annotated Anodyne C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369882 JH Annotated Anodyne C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369883 JH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369910 JH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369911 JH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369912 JH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369913 JH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369914 JH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369915 JH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369916 JH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369917 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3nn(C)cc3Br)cc1)O2 ZINC000587370209 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3nn(C)cc3Br)cc1)O2 ZINC000587370213 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587370434 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587370436 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370869 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370870 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370872 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370874 JH Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371150 JH Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371152 JH Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371154 JH Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371155 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](C)N1C(=O)CCC1=O)O2 ZINC000587371176 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](C)N1C(=O)CCC1=O)O2 ZINC000587371180 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](C)N1C(=O)CCC1=O)O2 ZINC000587371183 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](C)N1C(=O)CCC1=O)O2 ZINC000587371186 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CCCN1C(=O)c3ccccc3C1=O)O2 ZINC000587371496 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CCCN1C(=O)c3ccccc3C1=O)O2 ZINC000587371497 JH Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372766 JH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C=C[C@@]1(Br)[C@@H]1C=C(Br)C(=O)[C@H]21 ZINC000587372774 JH Annotated Mild CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372775 JH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C=C[C@@]1(Br)[C@@H]1C=C(Br)C(=O)[C@@H]21 ZINC000587372786 JH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C=C[C@@]1(Br)[C@H]1C=C(Br)C(=O)[C@@H]21 ZINC000587372792 JH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C=C[C@@]1(Br)[C@H]1C=C(Br)C(=O)[C@H]21 ZINC000587372798 JH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)ccc(Br)c21 ZINC000587372803 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)ccc(Br)c21 ZINC000587372808 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](C)NC(=O)CCC(=O)O)O2 ZINC000587372811 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](C)NC(=O)CCC(=O)O)O2 ZINC000587372829 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](C)NC(=O)CCC(=O)O)O2 ZINC000587372831 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](C)NC(=O)CCC(=O)O)O2 ZINC000587372833 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br ZINC000587373847 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br ZINC000587373852 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br ZINC000587373857 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br ZINC000587373860 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Br)c(Br)cc21 ZINC000587374034 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Br)c(Br)cc21 ZINC000587374036 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cc(Br)cc21 ZINC000587374358 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cc(Br)cc21 ZINC000587374361 JH Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374413 JH Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374418 JH Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374420 JH Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374422 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@@]1(C)CC(=O)c3cc(C)cc(N)c3O1)/C(=C\Cl)N2 ZINC000587374625 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@@]1(C)CC(=O)c3cc(C)cc(N)c3O1)/C(=C/Cl)N2 ZINC000587374629 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)CC(=O)c3cc(C)cc(N)c3O1)/C(=C/Cl)N2 ZINC000587374633 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)CC(=O)c3cc(C)cc(N)c3O1)/C(=C\Cl)N2 ZINC000587374636 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3SCC2(CO)CO)[C@H]1c1ccc(F)cc1 ZINC000587374676 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3SCC2(CO)CO)[C@@H]1c1ccc(F)cc1 ZINC000587374682 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3SCC2(CO)CO)[C@@H]1c1ccc(F)cc1 ZINC000587374688 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3SCC2(CO)CO)[C@H]1c1ccc(F)cc1 ZINC000587374691 JH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375632 JH Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375645 JH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(=O)N(C)C ZINC000587376100 JH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(=O)N(C)C ZINC000587376104 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCOCC3)c(Br)c1)O2 ZINC000587376211 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCOCC3)c(Br)c1)O2 ZINC000587376215 JH Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376569 JH Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376614 JH Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376616 JH Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376618 JH Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376739 JH Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376743 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)s2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587377225 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)s2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587377231 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)s2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587377233 JH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)s2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587377235 JH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(=O)N(C)C ZINC000587378630 JH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(=O)N(C)C ZINC000587378631 JH Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378643 JH Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378646 JH Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378650 JH Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378653 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587378871 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587378874 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587378877 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587378879 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587379214 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587379222 JH Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380172 JH Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380173 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c1=O)O2 ZINC000587384183 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c1=O)O2 ZINC000587384188 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)O2 ZINC000587384712 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)O2 ZINC000587384713 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(O)ccc2Oc2c(CO)ccc(NCCN(C)C)c21 ZINC000587385122 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(O)ccc2Oc2c(CO)ccc(NCCN(C)C)c21 ZINC000587385126 JH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1I ZINC000587385259 JH Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1I ZINC000587385260 JH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)cnn1[C@@H]1CCCCO1)O2 ZINC000587385385 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)cnn1[C@@H]1CCCCO1)O2 ZINC000587385390 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)cnn1[C@H]1CCCCO1)O2 ZINC000587385392 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)cnn1[C@H]1CCCCO1)O2 ZINC000587385397 JH Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385613 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385614 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)c(O)c(Br)n1)O2 ZINC000587385887 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)c(O)c(Br)n1)O2 ZINC000587385892 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386216 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386224 JH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386327 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386329 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(I)cc1)O2 ZINC000587386678 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(I)cc1)O2 ZINC000587386680 JH Annotated Anodyne COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(OCC(=O)N(C)C)c1 ZINC000587386868 JH Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(OCC(=O)N(C)C)c1 ZINC000587386869 JH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387400 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387402 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(I)cc1)O2 ZINC000587387461 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(I)cc1)O2 ZINC000587387464 JH Annotated Anodyne CCOC(=O)C1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(I)ccc2O1 ZINC000587387491 JH Annotated Anodyne CCOC(=O)C1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(I)ccc2O1 ZINC000587387492 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)CI)cc1)O2 ZINC000587387620 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)CI)cc1)O2 ZINC000587387624 JH Annotated Reactive CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388135 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388136 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388137 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388138 JH Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1)C(=O)OCC ZINC000587388540 JH Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1)C(=O)OCC ZINC000587388541 JH Annotated Anodyne COc1cc2c(c(OC)c1OC)C1=CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C(=O)C=C1[C@@H](N)CC2 ZINC000587388873 JH Annotated Mild COc1cc2c(c(OC)c1OC)C1=CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C(=O)C=C1[C@@H](N)CC2 ZINC000587388875 JH Annotated Mild CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587389276 JH Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587389277 JH Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389464 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@H](C)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389469 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389470 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389472 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(=O)ON3C(=O)CCC3=O)cc1)O2 ZINC000587390005 JH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(=O)ON3C(=O)CCC3=O)cc1)O2 ZINC000587390006 JH Annotated Mild CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])CC1 ZINC000587391333 JH Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])CC1 ZINC000587391334 JH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1[N+](=O)[O-])O2 ZINC000587391377 JH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1[N+](=O)[O-])O2 ZINC000587391378 JH Annotated Bother CCOC(=O)c1cn(C[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)OCC)n1 ZINC000587391459 JH Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)OCC)n1 ZINC000587391473 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587392225 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587392239 JH Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392446 JH Annotated Anodyne COc1cc2ccccc2cc1[C@@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392448 JH Annotated Anodyne COc1cc2ccccc2cc1[C@@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392450 JH Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392452 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(c4ccccc4)CC3)nc3ccccn3c1=O)O2 ZINC000587393977 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(c4ccccc4)CC3)nc3ccccn3c1=O)O2 ZINC000587394074 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c1=O)O2 ZINC000587394390 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c1=O)O2 ZINC000587394391 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587395146 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587395147 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c1=O)O2 ZINC000587395588 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c1=O)O2 ZINC000587395589 JH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397456 JH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397459 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1c(=O)c(=O)n(C)c3ccccc31)(c1ccc3c(c1)CCC3)O2 ZINC000587399617 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1c(=O)c(=O)n(C)c3ccccc31)(c1ccc3c(c1)CCC3)O2 ZINC000587399618 JH Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34CC(=O)c3cc(C)cc(N)c3O4)OC2=O)cc1 ZINC000587401217 JH Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34CC(=O)c3cc(C)cc(N)c3O4)OC2=O)cc1 ZINC000587401220 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401854 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401855 JH Annotated Anodyne COc1cccc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587404922 JH Annotated Anodyne COc1cccc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587404925 JH Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1)C(=O)C[C@](C)(O)C3 ZINC000587405548 JH Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21CC(=O)c2cc(C)cc(N)c2O1)C(=O)C[C@](C)(O)C3 ZINC000587405551 JH Annotated Anodyne COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407376 JH Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407377 JH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)O2 ZINC000587407677 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)O2 ZINC000587407678 JH Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407983 JH Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407985 JH Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407988 JH Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407990 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc(Br)cc3)CC1)O2 ZINC000587408017 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc1)O2 ZINC000587408084 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)cc1)O2 ZINC000587408085 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408094 JH Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408095 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(=O)O)cc1)(c1cc(C(=O)O)ccc1C(=O)O)O2 ZINC000587408121 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(=O)O)cc1)(c1cc(C(=O)O)ccc1C(=O)O)O2 ZINC000587408122 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o1)O2 ZINC000587408291 JH Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408295 JH Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408301 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o1)O2 ZINC000587408305 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 ZINC000587408306 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 ZINC000587408314 JH Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409160 JH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409164 JH 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)c2cc(C)cc(N)c2O1)C4(C)C ZINC000587409191 JH 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)c2cc(C)cc(N)c2O1)C4(C)C ZINC000587409193 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)O2 ZINC000587409438 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)O2 ZINC000587409439 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587409623 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587409625 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](O)[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587409630 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](O)[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587409632 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c1C)O2 ZINC000587409637 JH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c1C)O2 ZINC000587409640 JH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc1)O2 ZINC000587409692 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc1)O2 ZINC000587409693 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)O2 ZINC000587410361 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)O2 ZINC000587410362 JH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587410543 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587410544 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587410545 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1C[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587410546 JH Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410765 JH Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410768 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C2=C(Oc3cc(O)c(C)c(O)c31)[C@H](O)Oc1ccccc12 ZINC000587410945 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C2=C(Oc3cc(O)c(C)c(O)c31)[C@H](O)Oc1ccccc12 ZINC000587410954 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C2=C(Oc3cc(O)c(C)c(O)c31)[C@@H](O)Oc1ccccc12 ZINC000587410955 JH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C2=C(Oc3cc(O)c(C)c(O)c31)[C@@H](O)Oc1ccccc12 ZINC000587410956 JH Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587411600 JH Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587411601 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587411839 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587411840 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587411841 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587411842 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCOCC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587412001 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCOCC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587412013 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412264 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412269 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412275 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412279 JH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(O)cc1)O2 ZINC000587413601 JH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000587413602 JH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(O)cc1)O2 ZINC000587413604 JH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000587413607 JH Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587413690 JH Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587413693 JH Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587413695 JH Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587413697 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413731 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413732 JH Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413792 JH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413793 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587413919 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587413922 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587413924 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587413927 JH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)cc1)O2 ZINC000587414033 JH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)cc1)O2 ZINC000587414036 JH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)cc1)O2 ZINC000587414038 JH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)cc1)O2 ZINC000587414040 JH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCC(=O)N(C)C ZINC000587414348 JH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCC(=O)N(C)C ZINC000587414363 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(Br)(Br)CBr)[C@@H](C2)C3=O ZINC000587415622 JH Annotated Reactive COc1cc2c3c(c1)O[C@H](C(Br)(Br)CBr)[C@@H](C2)C3=O ZINC000587415623 JH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(CCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587415776 JH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(CCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587415777 JH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Br)c(Br)cc41)[C@@H](C2)C3=O ZINC000587417391 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Br)c(Br)cc41)[C@@H](C2)C3=O ZINC000587417393 JH Annotated Anodyne CCN1N=C(Br)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc3c(cc21)OCO3 ZINC000587417579 JH Annotated Anodyne CCN1N=C(Br)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc3c(cc21)OCO3 ZINC000587417581 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4Oc4nc(N)c(C#N)cc41)[C@@H](C2)C3=O ZINC000587417852 JH Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4Oc4nc(N)c(C#N)cc41)[C@@H](C2)C3=O ZINC000587417863 JH Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@H]4C=C[C@@]1(Br)[C@@H]1C=C(Br)C(=O)[C@H]41)[C@@H](C2)C3=O ZINC000587418179 JH Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@H]4C=C[C@@]1(Br)[C@@H]1C=C(Br)C(=O)[C@@H]41)[C@@H](C2)C3=O ZINC000587418182 JH Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@H]4C=C[C@@]1(Br)[C@H]1C=C(Br)C(=O)[C@H]41)[C@@H](C2)C3=O ZINC000587418184 JH Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@H]4C=C[C@@]1(Br)[C@H]1C=C(Br)C(=O)[C@@H]41)[C@@H](C2)C3=O ZINC000587418185 JH Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O ZINC000587418288 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O ZINC000587418293 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O ZINC000587418295 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O ZINC000587418297 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4nn(C)cc4Br)cc1)[C@@H](C2)C3=O ZINC000587418409 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4nn(C)cc4Br)cc1)[C@@H](C2)C3=O ZINC000587418413 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)[C@@H](C2)C3=O ZINC000587418756 JH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)[C@@H](C2)C3=O ZINC000587418775 JH Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587419104 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587419107 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C(O)(O)C(F)(F)F)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587419435 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C(O)(O)C(F)(F)F)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587419445 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587419743 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587419744 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4cc(Br)c([N+](=O)[O-])n4)o1)[C@@H](C2)C3=O ZINC000587420506 JH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Cn4cc(Br)c([N+](=O)[O-])n4)o1)[C@@H](C2)C3=O ZINC000587420514 JH Annotated Bother CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420583 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420587 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(=O)NCCO)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587421198 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(=O)NCCO)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587421200 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cc(Cl)c([N+](=O)[O-])n4)c1)[C@@H](C2)C3=O ZINC000587422999 JH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cc(Cl)c([N+](=O)[O-])n4)c1)[C@@H](C2)C3=O ZINC000587423001 JH Annotated Bother COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587423070 JH Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587423072 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587423397 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587423398 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4cc(OC)c(OC)cc4N/C1=C\Cl)[C@@H](C2)C3=O ZINC000587424382 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4cc(OC)c(OC)cc4N/C1=C/Cl)[C@@H](C2)C3=O ZINC000587424387 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4cc(OC)c(OC)cc4N/C1=C/Cl)[C@@H](C2)C3=O ZINC000587424391 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4cc(OC)c(OC)cc4N/C1=C\Cl)[C@@H](C2)C3=O ZINC000587424395 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424613 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424614 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587424861 JH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587424862 JH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587424863 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587424864 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O ZINC000587425262 JH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O ZINC000587425278 JH Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)CI)cc1)[C@@H](C2)C3=O ZINC000587426314 JH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)CI)cc1)[C@@H](C2)C3=O ZINC000587426318 JH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(I)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587426648 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587426650 JH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426737 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426740 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426788 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426790 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)[C@@H](C2)C3=O ZINC000587427037 JH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)[C@@H](C2)C3=O ZINC000587427038 JH Annotated Reactive COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587427051 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587427054 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587427227 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587427230 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)cnn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587427445 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)cnn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587427449 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)cnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587427451 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)cnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587427455 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c4ccnc-4[nH]c(I)c1F)[C@@H](C2)C3=O ZINC000587427617 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c4ccnc-4[nH]c(I)c1F)[C@@H](C2)C3=O ZINC000587427619 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587427709 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587427711 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427886 JH Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427887 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C#N)c(=O)n(C4CC4)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587427916 JH Annotated Mild COc1cc2c3c(c1)O[C@](c1cc(C#N)c(=O)n(C4CC4)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587427919 JH Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4cc(O)ccc4Oc4c(CO)ccc(NCCN(C)C)c41)[C@@H](C2)C3=O ZINC000587428618 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(O)ccc4Oc4c(CO)ccc(NCCN(C)C)c41)[C@@H](C2)C3=O ZINC000587428619 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCc4ccc(F)cc4)cc1)[C@@H](C2)C3=O ZINC000587428839 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428896 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428897 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428898 JH Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428899 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCc4ccc(F)cc4)cc1)[C@@H](C2)C3=O ZINC000587428997 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429089 JH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429091 JH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(I)c1O ZINC000587429391 JH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(I)c1O ZINC000587429392 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(=O)O)c([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587429420 JH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc(I)c(OC)nc1C)[C@@H](C2)C3=O ZINC000587429423 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(I)c(OC)nc1C)[C@@H](C2)C3=O ZINC000587429424 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(=O)O)c([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587429427 JH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(I)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429634 JH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(I)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429645 JH Annotated Bother COc1cc2c3c(c1)OC1(c4cccc([N+](=O)[O-])c4C(=O)c4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587429760 JH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(I)c(O)c(Br)n1)[C@@H](C2)C3=O ZINC000587430166 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(O)c(Br)n1)[C@@H](C2)C3=O ZINC000587430173 JH Annotated Anodyne C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587430254 JH Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587430260 JH Annotated Mild CCOC(=O)c1cn(C[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(=O)OCC)n1 ZINC000587430548 JH Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(=O)OCC)n1 ZINC000587430553 JH Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC(=O)N(C)C)c1 ZINC000587431019 JH Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC(=O)N(C)C)c1 ZINC000587431021 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc([N+](=O)[O-])c4C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587431307 JH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4cccc([N+](=O)[O-])c4C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587431310 JH Annotated Bother CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]2C1 ZINC000587431837 JH Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]2C1 ZINC000587431838 JH Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@@H]2C1 ZINC000587431839 JH Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@@H]2C1 ZINC000587431840 JH Annotated Anodyne COc1cc2c3c(c1)OC1(c4c(cccc4[N+](=O)[O-])C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587432260 JH Annotated Bother CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587432663 JH Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587432664 JH Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])CC1 ZINC000587432728 JH Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])CC1 ZINC000587432731 JH Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc(C(=O)O)c4[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432869 JH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc(C(=O)O)c4[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432871 JH Annotated Bother COc1cc2c3c(c1)O[C@](CN1C(=O)c4ccccc4C1=O)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587433074 JH Annotated Bother COc1cc2c3c(c1)O[C@@](CN1C(=O)c4ccccc4C1=O)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587433075 JH Annotated Bother COc1cc2c3c(c1)O[C@@](c1cnn(-c4cccc(C(=O)O)c4)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587433236 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnn(-c4cccc(C(=O)O)c4)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587433238 JH Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433261 JH Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433262 JH Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)C(=O)OCC ZINC000587433277 JH Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)C(=O)OCC ZINC000587433278 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCn4nc(C)c([N+](=O)[O-])c4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587434052 JH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCn4nc(C)c([N+](=O)[O-])c4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587434053 JH Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587434512 JH Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587434513 JH Annotated Bother COc1cc2c3c(c1)O[C@H]([C@H]1CN(Cc4ccccc4)CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434814 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CN(Cc4ccccc4)CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434815 JH Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434828 JH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434829 JH Annotated Anodyne CCOC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434830 JH Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434831 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(=O)ON4C(=O)CCC4=O)cc1)[C@@H](C2)C3=O ZINC000587435363 JH Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(=O)ON4C(=O)CCC4=O)cc1)[C@@H](C2)C3=O ZINC000587435365 JH Annotated Mild COc1cc2c3c(c1)O[C@@](Cn1c(=O)c(=O)n(C)c4ccccc41)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587436045 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1c(=O)c(=O)n(C)c4ccccc41)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587436046 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CC(=O)Nc4ccc(C)cc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587436257 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CC(=O)Nc4ccc(C)cc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587436258 JH Annotated Anodyne COC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2C(=O)OC(C)(C)C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587436918 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1[nH]cnc1C(=O)Nc1ccccn1)[C@@H](C2)C3=O ZINC000587437081 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1[nH]cnc1C(=O)Nc1ccccn1)[C@@H](C2)C3=O ZINC000587437090 JH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCN(c5ccccc5)CC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587437653 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCN(c5ccccc5)CC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587437655 JH Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439091 JH Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439092 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN1C(=O)c4ccccc4C1=O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587439421 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN1C(=O)c4ccccc4C1=O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587439422 JH Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439659 JH Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439660 JH Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439665 JH Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439670 JH Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587439840 JH Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587439843 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4ccccc4cc1OC)([C@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587440659 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4ccccc4cc1OC)([C@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587440671 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4ccccc4cc1OC)([C@@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587440677 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4ccccc4cc1OC)([C@@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587440688 JH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443231 JH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443232 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443347 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443348 JH Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443909 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)N1C(=O)OC(C)(C)C ZINC000587443910 JH Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443911 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)N1C(=O)OC(C)(C)C ZINC000587443912 JH Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445296 JH Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445297 JH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N1CCCCC1 ZINC000587445875 JH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N1CCCCC1 ZINC000587445877 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447429 JH Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447433 JH Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O ZINC000587447526 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O ZINC000587447527 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587447716 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587447717 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587447718 JH Annotated Clean COc1cc2c3c(c1)O[C@@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587447719 JH Annotated Clean COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587447728 JH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587447729 JH Annotated Reactive COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587447929 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587447932 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587447933 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587447934 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(OC)c4C(=O)c4ccc5c(c41)C(=O)C[C@](C)(O)C5)[C@@H](C2)C3=O ZINC000587448557 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(OC)c4C(=O)c4ccc5c(c41)C(=O)C[C@](C)(O)C5)[C@@H](C2)C3=O ZINC000587448558 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O ZINC000587448742 JH Annotated Unstable COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O ZINC000587448744 JH Annotated Unstable COc1cc2c3c(c1)O[C@@](CCl)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448899 JH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448900 JH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587448943 JH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587448944 JH Annotated Bother COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587449441 JH Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587449449 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O ZINC000587450073 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O ZINC000587450074 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c1C)[C@@H](C2)C3=O ZINC000587450163 JH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c1C)[C@@H](C2)C3=O ZINC000587450164 JH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCS(=O)(=O)C4)[C@@H](C2)C3=O ZINC000587450444 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCS(=O)(=O)C4)[C@@H](C2)C3=O ZINC000587450445 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](c1ccccc1)[C@H](O)C(C)=O)[C@@H](C2)C3=O ZINC000587450706 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](c1ccccc1)[C@@H](O)C(C)=O)[C@@H](C2)C3=O ZINC000587450717 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](c1ccccc1)[C@H](O)C(C)=O)[C@@H](C2)C3=O ZINC000587450718 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](c1ccccc1)[C@@H](O)C(C)=O)[C@@H](C2)C3=O ZINC000587450721 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](O)[C@@H](c1ccccc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587451551 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587451552 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587451553 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](O)[C@@H](c1ccccc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587451554 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)([C@@H](O)c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587451569 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)([C@@H](O)c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587451570 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)([C@H](O)c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587451571 JH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)([C@H](O)c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587451572 JH Annotated Anodyne COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452311 JH Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452312 JH Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(cc(OC)c(OC)c4O)O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452557 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(cc(OC)c(OC)c4O)O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452558 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(cc(OC)c(OC)c4O)O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452559 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(cc(OC)c(OC)c4O)O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452560 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc5c(c4C(=O)c4cccc(OC)c41)C(=O)C[C@](C)(O)C5)[C@@H](C2)C3=O ZINC000587452933 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc5c(c4C(=O)c4cccc(OC)c41)C(=O)C[C@](C)(O)C5)[C@@H](C2)C3=O ZINC000587452939 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4cc(O)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587453004 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4cc(O)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587453008 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1C[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587453563 JH Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587453576 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1C[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587453584 JH Annotated Anodyne CCOC(=O)N1CCN([C@@H](C)[C@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587453586 JH Annotated Anodyne CCOC(=O)N1CCN([C@@H](C)[C@@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587453589 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1C[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587453590 JH Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587453593 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1C[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587453596 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)C(=O)C(=O)OC)CC2=O ZINC000587453954 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)C(=O)C(=O)OC)CC2=O ZINC000587453959 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)C(=O)C(=O)OC)CC2=O ZINC000587453961 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)C(=O)C(=O)OC)CC2=O ZINC000587453964 JH Annotated Reactive COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454334 JH Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454337 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455165 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455166 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455167 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455168 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587455439 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587455440 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587455441 JH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587455442 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C4=C(Oc5cc(O)c(C)c(O)c51)[C@H](O)Oc1ccccc14)[C@@H](C2)C3=O ZINC000587455685 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C4=C(Oc5cc(O)c(C)c(O)c51)[C@H](O)Oc1ccccc14)[C@@H](C2)C3=O ZINC000587455688 JH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C4=C(Oc5cc(O)c(C)c(O)c51)[C@@H](O)Oc1ccccc14)[C@@H](C2)C3=O ZINC000587455689 JH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C4=C(Oc5cc(O)c(C)c(O)c51)[C@@H](O)Oc1ccccc14)[C@@H](C2)C3=O ZINC000587455693 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC(N)=O)c(OC)c1)CC2=O ZINC000587455805 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC(N)=O)c(OC)c1)CC2=O ZINC000587455806 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587456250 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587456251 JH Annotated Reactive COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456340 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456341 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456342 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456343 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587456794 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587456797 JH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587456885 JH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587456887 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCNCC1)(c1ccc(Br)cc1)CC2=O ZINC000587457095 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCNCC1)(c1ccc(Br)cc1)CC2=O ZINC000587457097 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCN(C)C)c2ccc(Br)cc21 ZINC000587457477 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCN(C)C)c2ccc(Br)cc21 ZINC000587457478 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCOC)c2ccc(Br)cc21 ZINC000587458090 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCOC)c2ccc(Br)cc21 ZINC000587458091 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCOC)c2cc(Br)ccc21 ZINC000587458881 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCOC)c2cc(Br)ccc21 ZINC000587458885 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2cccc(Cl)c2)N=C1C(=O)OC ZINC000587459381 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2cccc(Cl)c2)N=C1C(=O)OC ZINC000587459383 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ncon2)c2ccc(Br)cc21 ZINC000587459895 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ncon2)c2ccc(Br)cc21 ZINC000587459912 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2cccc(C(F)(F)F)c2)N=C1C(=O)O ZINC000587464215 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2cccc(C(F)(F)F)c2)N=C1C(=O)O ZINC000587464216 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(CCOC)c1)(c1cc(F)ccc1O)CC2=O ZINC000587466778 JH Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(CCOC)c1)(c1cc(F)ccc1O)CC2=O ZINC000587466796 JH Annotated Mild CCCc1c(O)ccc2c1O[C@](Cn1cnc(C(=O)OC)c1C(=O)OC)(c1ccc(F)cc1)CC2=O ZINC000587467270 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cnc(C(=O)OC)c1C(=O)OC)(c1ccc(F)cc1)CC2=O ZINC000587467272 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])CC2=O ZINC000587468961 JH Annotated Bother CCCc1c(O)ccc2c1O[C@@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])CC2=O ZINC000587468966 JH Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(Cc1nc(=NC(=O)c3ccc(F)cc3)s[nH]1)CC2=O ZINC000587469446 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1nc(=NC(=O)c3ccc(F)cc3)s[nH]1)CC2=O ZINC000587469450 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(C(=O)OC)cc1I)CC2=O ZINC000587469693 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(C(=O)OC)cc1I)CC2=O ZINC000587469702 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc([N+](=O)[O-])c21 ZINC000587469805 JH Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc([N+](=O)[O-])c21 ZINC000587469806 JH Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])cc(C(=O)O)c(N)c21 ZINC000587470847 JH Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])cc(C(=O)O)c(N)c21 ZINC000587470849 JH Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(F)cc2)N=C1C(=O)OCC ZINC000587473189 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccc(F)cc2)N=C1C(=O)OCC ZINC000587473191 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3ccccc3N/C1=C\N1CCOCC1)CC2=O ZINC000587473898 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3ccccc3N/C1=C/N1CCOCC1)CC2=O ZINC000587473900 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3ccccc3N/C1=C/N1CCOCC1)CC2=O ZINC000587473901 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3ccccc3N/C1=C\N1CCOCC1)CC2=O ZINC000587473902 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCCN1CCN(C)CC1)CC2=O ZINC000587474265 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCCN1CCN(C)CC1)CC2=O ZINC000587474266 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC(=O)NCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587475171 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC(=O)NCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587475172 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCOCC3)c(OCC)c1)CC2=O ZINC000587475440 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCOCC3)c(OCC)c1)CC2=O ZINC000587475442 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(C)=O)CC2)Oc2c1ccc(O)c2O ZINC000587475547 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(C)=O)CC2)Oc2c1ccc(O)c2O ZINC000587475548 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587475764 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587475765 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587475766 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 ZINC000587475767 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C(=O)OC)CC2=O ZINC000587475888 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C(=O)OC)CC2=O ZINC000587475895 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C(=O)OC)CC2=O ZINC000587475897 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C(=O)OC)CC2=O ZINC000587475899 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cnn(-c3ccccc3)c1C)CC2=O ZINC000587476224 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cnn(-c3ccccc3)c1C)CC2=O ZINC000587476225 JH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C2CC3(C(=O)OCC)CC1CC(C(=O)OCC)(C2)C3=O ZINC000587476630 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587477233 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587477236 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587477238 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587477239 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)[C@H](C(=O)OCc2ccccc2)C1 ZINC000587478194 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)[C@H](C(=O)OCc2ccccc2)C1 ZINC000587478220 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C(=O)[C@@H]1C(=O)OCC)CC2=O ZINC000587478225 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C(=O)[C@H]1C(=O)OCC)CC2=O ZINC000587478233 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C(=O)[C@@H]1C(=O)OCC)CC2=O ZINC000587478237 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C(=O)[C@H]1C(=O)OCC)CC2=O ZINC000587478244 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587478386 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587478394 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587478402 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587478408 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1O ZINC000587478441 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1O ZINC000587478451 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O ZINC000587478462 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O ZINC000587478471 JH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C2(C(=O)OCC)CC3CC1(C(=O)OCC)CC(C2)C3=O ZINC000587478624 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000587478886 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000587478888 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCn1c(=O)c3c(ncn3CCC)n(C)c1=O)CC2=O ZINC000587478940 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCCCn1c(=O)c3c(ncn3CCC)n(C)c1=O)CC2=O ZINC000587478944 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587478945 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587478948 JH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000587479098 JH Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc3c(c1)C(=O)OC3=O)(c1ccc3c(c1)C(=O)OC3=O)CC2=O ZINC000587479526 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O ZINC000587479681 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O ZINC000587479702 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21 ZINC000587480882 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21 ZINC000587480890 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)OCC ZINC000587480968 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)OCC ZINC000587480972 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)OCC ZINC000587480974 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)OCC ZINC000587480975 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc1)CC2=O ZINC000587481311 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NC[C@H]3CCCO3)cc1)CC2=O ZINC000587481316 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NC[C@H]3CCCO3)cc1)CC2=O ZINC000587481317 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc1)CC2=O ZINC000587481318 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc1)CC2=O ZINC000587481512 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587481912 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587481913 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587481914 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587481915 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2C(=O)c2cc(C(=O)O)cc(O)c21 ZINC000587482122 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cccc2C(=O)c2cc(C(=O)O)cc(O)c21 ZINC000587482126 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc1)CC2=O ZINC000587482236 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)CC2=O ZINC000587482311 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)CC2=O ZINC000587482383 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@H](C(=O)OCC)C[C@@H]3C1)CC2=O ZINC000587482734 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@@H](C(=O)OCC)C[C@@H]3C1)CC2=O ZINC000587482736 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@@H](C(=O)OCC)C[C@H]3C1)CC2=O ZINC000587482741 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(CC)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587483169 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(CC)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587483175 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@H](C(=O)OCC)C[C@H]3C1)CC2=O ZINC000587483350 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(S(N)(=O)=O)c1)CC2=O ZINC000587483912 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(S(N)(=O)=O)c1)CC2=O ZINC000587483920 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(CCOC)c1)(c1ccccc1O)CC2=O ZINC000587483932 JH Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(CCOC)c1)(c1ccccc1O)CC2=O ZINC000587483943 JH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587484288 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587484291 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587484293 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587484296 JH Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c1=O)CC2=O ZINC000587484320 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)CC2=O ZINC000587484323 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)CC2=O ZINC000587484324 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)CC2=O ZINC000587484325 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]31)CC2=O ZINC000587484505 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]31)CC2=O ZINC000587484514 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc1)CC2=O ZINC000587485041 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc1)CC2=O ZINC000587485042 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc1)CC2=O ZINC000587485044 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc1)CC2=O ZINC000587485047 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)CC2=O ZINC000587485070 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)CC2=O ZINC000587485072 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(CC)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587485190 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(CC)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587485192 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(O)cc2O[C@]1(O)Cc1ccc(O)cc1 ZINC000587485200 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1 ZINC000587485202 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(O)cc2O[C@]1(O)Cc1ccc(O)cc1 ZINC000587485204 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1 ZINC000587485206 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587485271 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587485274 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587485279 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587485283 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H]1NC(=O)NC(C)=C1C(=O)OC)CC2=O ZINC000587485694 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H]1NC(=O)NC(C)=C1C(=O)OC)CC2=O ZINC000587485696 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H]1NC(=O)NC(C)=C1C(=O)OC)CC2=O ZINC000587485698 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H]1NC(=O)NC(C)=C1C(=O)OC)CC2=O ZINC000587485700 JH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC(C(=O)O)C[C@H]1CN(C(=O)c1ccccc1)C2 ZINC000587486842 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000587486987 JH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000587486991 JH Annotated Clean CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O ZINC000587487052 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O ZINC000587487102 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)CC2=O ZINC000587487230 JH Annotated Unstable CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)CC2=O ZINC000587487235 JH Annotated Unstable CCCc1c(O)ccc2c1O[C@H](c1c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587487275 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587487282 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587487292 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587487300 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1)CC2=O ZINC000587487330 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1)CC2=O ZINC000587487336 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)CC2=O ZINC000587488957 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)CC2=O ZINC000587488961 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(CS(=O)(=O)c1ccccc1)CC2=O ZINC000587489687 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(CS(=O)(=O)c1ccccc1)CC2=O ZINC000587489691 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)CC2=O ZINC000587489694 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)S(C)(=O)=O)CC2=O ZINC000587489719 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)CC2=O ZINC000587489722 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)S(C)(=O)=O)CC2=O ZINC000587489724 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(S(=O)(=O)O)c2N ZINC000587490286 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(S(=O)(=O)O)c2N ZINC000587490303 JH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC000587490505 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC=C(NNS(=O)(=O)c3ccc(C)cc3)C1)CC2=O ZINC000587490675 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC=C(NNS(=O)(=O)c3ccc(C)cc3)C1)CC2=O ZINC000587490678 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)N3CCC(C(=O)O)CC3)c1)CC2=O ZINC000587490897 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)N3CCC(C(=O)O)CC3)c1)CC2=O ZINC000587490899 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1N1CCCCC1)CC2=O ZINC000587493026 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1N1CCCCC1)CC2=O ZINC000587493029 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1N1CCCCC1)CC2=O ZINC000587493030 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1N1CCCCC1)CC2=O ZINC000587493031 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(S(=O)(=O)O)c(N)c21 ZINC000587495089 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(S(=O)(=O)O)c(N)c21 ZINC000587495093 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)CC2=O ZINC000587496353 JH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)CC2=O ZINC000587496354 JH Annotated Reactive COC(=O)C(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497459 JH Annotated Reactive COC(=O)C(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497461 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497463 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497464 JH Annotated Reactive CN(C)C(=O)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497756 JH Annotated Anodyne CN(C)C(=O)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497760 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCSCC3)nc3ccccn3c1=O)CC2=O ZINC000587498090 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCSCC3)nc3ccccn3c1=O)CC2=O ZINC000587498093 JH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(N)=O ZINC000587499659 JH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(N)=O ZINC000587499660 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCSCC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587500048 JH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCSCC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587500052 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587500075 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587500078 JH Annotated Anodyne O=C1C[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587500576 JH Annotated Reactive O=C1C[C@](CBr)(CN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587500580 JH Annotated Reactive CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587506788 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587506791 JH Annotated Anodyne COCCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587507221 JH Annotated Mild COCCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587507223 JH Annotated Mild O=C1C[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587512237 JH Annotated Bother O=C1C[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587512239 JH Annotated Bother COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCN1CCN(C)CC1 ZINC000587512389 JH Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCN1CCN(C)CC1 ZINC000587512398 JH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCOCC1 ZINC000587512792 JH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCOCC1 ZINC000587512793 JH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCOCC1 ZINC000587513279 JH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCOCC1 ZINC000587513283 JH Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513483 JH Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513484 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513885 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513886 JH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCN1CCN(C)CC1 ZINC000587515550 JH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCN1CCN(C)CC1 ZINC000587515551 JH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516516 JH Annotated Anodyne CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516521 JH Annotated Anodyne CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516523 JH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516525 JH Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCC[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)c(=O)n2C ZINC000587517012 JH Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCC[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)c(=O)n2C ZINC000587517013 JH Annotated Anodyne CCOC(=O)C[C@@]1(COCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517688 JH Annotated Anodyne CCOC(=O)C[C@]1(COCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517689 JH Annotated Anodyne COCCn1cc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587518152 JH Annotated Mild COCCn1cc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587518153 JH Annotated Mild C[C@@]1(CN2C(=O)c3ccccc3N/C2=C\N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518223 JH Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3N/C2=C/N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518224 JH Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C\N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518225 JH Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C/N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518226 JH Annotated Anodyne O=C1C[C@H](c2cc(CN3CCOCC3)c(O)c(CN3CCOCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587518564 JH Annotated Clean O=C1C[C@@H](c2cc(CN3CCOCC3)c(O)c(CN3CCOCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587518565 JH Annotated Clean CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C ZINC000587518580 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C ZINC000587518581 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C ZINC000587518582 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C ZINC000587518583 JH Annotated Anodyne CCOC(=O)C12CC3CC(C(=O)OCC)(CC(C1)C3=O)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524309 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526347 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526357 JH Annotated Anodyne COC(=O)C1=C(C)NC(=O)N[C@@H]1[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526381 JH Annotated Anodyne COC(=O)C1=C(C)NC(=O)N[C@@H]1[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526390 JH Annotated Anodyne COC(=O)C1=C(C)NC(=O)N[C@H]1[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526394 JH Annotated Anodyne COC(=O)C1=C(C)NC(=O)N[C@H]1[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526398 JH Annotated Anodyne CCOC(=O)C12CC3CC(C(=O)OCC)(CC(C1)C31CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587526528 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526956 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526991 JH Annotated Anodyne CCN1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587527778 JH Annotated Anodyne CCN1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587527779 JH Annotated Anodyne CCN1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587528047 JH Annotated Anodyne CCN1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587528048 JH Annotated Anodyne CN(CCCC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529529 JH Annotated Anodyne CN(CCCC(=O)O)S(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529534 JH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(O)cc(O)cc1O[C@]2(O)Cc1ccc(O)cc1 ZINC000587530211 JH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(O)cc(O)cc1O[C@]2(O)Cc1ccc(O)cc1 ZINC000587530215 JH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(O)cc(O)cc1O[C@@]2(O)Cc1ccc(O)cc1 ZINC000587530219 JH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(O)cc(O)cc1O[C@@]2(O)Cc1ccc(O)cc1 ZINC000587530223 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530277 JH Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530279 JH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000587530714 JH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000587530717 JH Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587531041 JH Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587531042 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587531043 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587531045 JH Annotated Anodyne CS(=O)(=O)C[C@]1(c2cncc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531073 JH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cncc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531087 JH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1O[C@H](c1cc(O)c(O)c(O)c1)[C@H]2O ZINC000587531552 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1O[C@H](c1cc(O)c(O)c(O)c1)[C@H]2O ZINC000587531569 JH Annotated Clean C[C@]1(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531645 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531646 JH Annotated Anodyne C[C@@]1(c2ccc(Br)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531709 JH Annotated Anodyne C[C@]1(c2ccc(Br)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531710 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531746 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531759 JH Annotated Anodyne Nc1c(S(=O)(=O)O)ccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587531958 JH Annotated Anodyne Nc1c(S(=O)(=O)O)ccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587531979 JH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532048 JH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532050 JH Annotated Anodyne O=C1CC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587532399 JH Annotated Bother C[C@@]1(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532817 JH Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532819 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532822 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532823 JH Annotated Anodyne CN(C)CCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533165 JH Annotated Anodyne CN(C)CCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533199 JH Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587533251 JH Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587533253 JH Annotated Reactive CS(=O)(=O)Nc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587533609 JH Annotated Reactive CS(=O)(=O)Nc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587533616 JH Annotated Reactive O=C1C[C@@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 ZINC000587534015 JH Annotated Clean O=C1C[C@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 ZINC000587534020 JH Annotated Clean CS(=O)(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534189 JH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534200 JH Annotated Reactive Nc1c(S(=O)(=O)O)ccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534467 JH Annotated Anodyne Nc1c(S(=O)(=O)O)ccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534469 JH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)cc1O)Oc1cc(O)cc(O)c12 ZINC000587534486 JH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)cc1O)Oc1cc(O)cc(O)c12 ZINC000587534488 JH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)cc1O)Oc1cc(O)cc(O)c12 ZINC000587534490 JH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)cc1O)Oc1cc(O)cc(O)c12 ZINC000587534497 JH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534614 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534630 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534635 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534638 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1cc(O)c(O)c(O)c1 ZINC000587534680 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1cc(O)c(O)c(O)c1 ZINC000587534686 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1cc(O)c(O)c(O)c1 ZINC000587534689 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1cc(O)c(O)c(O)c1 ZINC000587534694 JH Annotated Clean O=C1C[C@]2(CC3=C4c5ccc(O)c(O)c5OC[C@]4(O)CC3=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587534858 JH Annotated Mild O=C1C[C@]2(CC3=C4c5ccc(O)c(O)c5OC[C@@]4(O)CC3=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587534859 JH Annotated Mild O=C1C[C@@]2(CC3=C4c5ccc(O)c(O)c5OC[C@]4(O)CC3=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587534860 JH Annotated Mild O=C1C[C@@]2(CC3=C4c5ccc(O)c(O)c5OC[C@@]4(O)CC3=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587534861 JH Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534979 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534982 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534983 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1cc(O)cc(O)c12 ZINC000587534984 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587535436 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587535439 JH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587535444 JH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1cc(O)c(O)c(O)c1)Oc1cc(O)ccc12 ZINC000587535447 JH Annotated Clean C#CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538425 JH Annotated Mild C#CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538431 JH Annotated Mild C#CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538434 JH Annotated Mild C#CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538437 JH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(Br)cc1O ZINC000587538691 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(Br)cc1O ZINC000587538694 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(Br)cc1O ZINC000587538696 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(Br)cc1O ZINC000587538699 JH Annotated Anodyne O=C(CBr)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538892 JH Annotated Reactive O=C(CBr)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538897 JH Annotated Reactive O=C(CBr)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538899 JH Annotated Reactive O=C(CBr)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538900 JH Annotated Reactive COc1ccc(Br)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539143 JH Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539147 JH Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539148 JH Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539151 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CN1C(=O)c2ccccc2C1=O ZINC000587539195 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CN1C(=O)c2ccccc2C1=O ZINC000587539196 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CN1C(=O)c2ccccc2C1=O ZINC000587539198 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CN1C(=O)c2ccccc2C1=O ZINC000587539200 JH Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587539201 JH Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587539207 JH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587539209 JH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587539214 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ncc(Br)cn1)CC2 ZINC000587539863 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ncc(Br)cn1)CC2 ZINC000587539865 JH Annotated Anodyne COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539904 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539913 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539914 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539915 JH Annotated Reactive COC(=O)c1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587540329 JH Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587540330 JH Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587540331 JH Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587540332 JH Annotated Anodyne Cn1nnnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540643 JH Annotated Anodyne Cn1nnnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540644 JH Annotated Anodyne Cn1nnnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540645 JH Annotated Anodyne Cn1nnnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540646 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(CCO)CC2)cc1Cl ZINC000587541183 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(CCO)CC2)cc1Cl ZINC000587541184 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(CCO)CC2)cc1Cl ZINC000587541185 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(CCO)CC2)cc1Cl ZINC000587541186 JH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC(N)=O ZINC000587541486 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC(N)=O ZINC000587541492 JH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC(N)=O ZINC000587541494 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC(N)=O ZINC000587541495 JH Annotated Anodyne Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587542090 JH Annotated Reactive Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587542091 JH Annotated Reactive Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587542092 JH Annotated Reactive Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587542093 JH Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543288 JH Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543293 JH Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543297 JH Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543300 JH Annotated Reactive COc1cc(Br)c2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543794 JH Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543795 JH Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543796 JH Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543797 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1CCNCC1)c1ccc(Br)cc1 ZINC000587544370 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1CCNCC1)c1ccc(Br)cc1 ZINC000587544371 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1CCNCC1)c1ccc(Br)cc1 ZINC000587544372 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1CCNCC1)c1ccc(Br)cc1 ZINC000587544373 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000587544502 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000587544511 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000587544514 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000587544516 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587545130 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587545131 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587545132 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587545133 JH Annotated Anodyne N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545643 JH Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545649 JH Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545650 JH Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545651 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2N1 ZINC000587545914 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2N1 ZINC000587545915 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2N1 ZINC000587545916 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2N1 ZINC000587545917 JH Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Br)C1 ZINC000587546661 JH Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Br)C1 ZINC000587546680 JH Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Br)C1 ZINC000587546683 JH Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Br)C1 ZINC000587546684 JH Annotated Reactive O=C(O)CCC(=O)NC[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546944 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546950 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546953 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546955 JH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587547306 JH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587547310 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547311 JH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587547312 JH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587547313 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547318 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547320 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547322 JH Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547707 JH Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547719 JH Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547721 JH Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547723 JH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547762 JH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547763 JH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547764 JH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547765 JH Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548210 JH Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548211 JH Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548213 JH Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548215 JH Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587549874 JH Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587549877 JH Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587549879 JH Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587549881 JH Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550773 JH Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550775 JH Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550778 JH Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550780 JH Annotated Anodyne O=C(N[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000587553048 JH Annotated Anodyne O=C(N[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000587553049 JH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553489 JH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553497 JH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553498 JH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553501 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554423 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554440 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554442 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554445 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555283 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555287 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555288 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555291 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556111 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556122 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556124 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556126 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556404 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556412 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556414 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556416 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557138 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557139 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557140 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557141 JH Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587561115 JH Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587561118 JH Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]4(C)[C@H]3CC[C@@]21C ZINC000587561121 JH Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000587561123 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4Cc5cc6c(O)nc(O)nc6nc5[C@@]4(C)CC[C@@H]32)C1 ZINC000587561423 JH Annotated Mild CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587562827 JH Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4nc(O)nc(O)c4cc3CCCC)[C@H]1C2 ZINC000587563868 JH Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4nc(O)nc(O)c4cc3CCCC)[C@H]1C2 ZINC000587563871 JH Annotated Mild CCOc1ccc(CCNc2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)cc1OCC ZINC000587564501 JH Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587565944 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 ZINC000587566441 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566670 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566674 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566676 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566678 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(I)c12 ZINC000587566708 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(I)c12 ZINC000587566713 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(I)c12 ZINC000587566716 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(I)c12 ZINC000587566718 JH Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587567261 JH Annotated Anodyne Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587567262 JH Annotated Anodyne Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587567263 JH Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587567264 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(I)ccc12 ZINC000587567537 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(I)ccc12 ZINC000587567538 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(I)ccc12 ZINC000587567539 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(I)ccc12 ZINC000587567540 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567692 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567693 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567694 JH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567695 JH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569590 JH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569591 JH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569592 JH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569593 JH Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569873 JH Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569874 JH Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569875 JH Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569876 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569940 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569961 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569965 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569968 JH Annotated Anodyne Nc1ncc(I)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570229 JH Annotated Anodyne Nc1ncc(I)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570230 JH Annotated Anodyne Nc1ncc(I)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570231 JH Annotated Anodyne Nc1ncc(I)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570232 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000587570653 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000587570654 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(I)cc12 ZINC000587570655 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(I)cc12 ZINC000587570656 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(I)cccc12 ZINC000587571310 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(I)cccc12 ZINC000587571311 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(I)cccc12 ZINC000587571312 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(I)cccc12 ZINC000587571313 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571498 JH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571501 JH Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571502 JH Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571503 JH Annotated Mild CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571714 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571715 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571716 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571717 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(I)cc1 ZINC000587571916 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(I)cc1 ZINC000587571921 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(I)cc1 ZINC000587571923 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(I)cc1 ZINC000587571925 JH Annotated Anodyne Cn1ncc(I)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571969 JH Annotated Anodyne Cn1ncc(I)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571970 JH Annotated Anodyne Cn1ncc(I)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571971 JH Annotated Anodyne Cn1ncc(I)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571972 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(I)c1 ZINC000587571977 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(I)c1 ZINC000587571978 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(I)c1 ZINC000587571979 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(I)c1 ZINC000587571980 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572631 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572632 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572633 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572634 JH Annotated Anodyne Cn1cc(I)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587572786 JH Annotated Anodyne Cn1cc(I)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587572788 JH Annotated Anodyne Cn1cc(I)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587572790 JH Annotated Anodyne Cn1cc(I)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587572792 JH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572845 JH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572847 JH Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572848 JH Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572851 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587573400 JH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587573403 JH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587573406 JH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587573407 JH Annotated Bother CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573860 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573863 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573864 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573866 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573890 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573891 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573892 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573893 JH Annotated Anodyne CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587575303 JH Annotated Bother CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587575304 JH Annotated Bother CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587575305 JH Annotated Bother CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587575306 JH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000587576161 JH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000587576170 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O[C@H](C)C(=O)O ZINC000587576230 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O[C@H](C)C(=O)O ZINC000587576231 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O[C@@H](C)C(=O)O ZINC000587576233 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O[C@@H](C)C(=O)O ZINC000587576236 JH Annotated Bother C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577167 JH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577173 JH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577175 JH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577177 JH Annotated Anodyne O=C(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC[C@H]1CCCO1 ZINC000587577589 JH Annotated Anodyne O=C(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC[C@@H]1CCCO1 ZINC000587577593 JH Annotated Anodyne O=C(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC[C@H]1CCCO1 ZINC000587577598 JH Annotated Anodyne O=C(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC[C@@H]1CCCO1 ZINC000587577602 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C=[N+]=[N-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578350 JH Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C=[N+]=[N-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578354 JH Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C=[N+]=[N-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578356 JH Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C=[N+]=[N-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578358 JH Annotated Clean COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578463 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578472 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578475 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578480 JH Annotated Anodyne COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578780 JH Annotated Bother COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578787 JH Annotated Bother COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578788 JH Annotated Bother COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578789 JH Annotated Bother COC(=O)C(=NNc1ccccc1OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579534 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579538 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579542 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579544 JH Annotated Mild O=C(O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587579868 JH Annotated Anodyne O=C(O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587579869 JH Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)NC[C@H]1CCCO1 ZINC000587580148 JH Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)NC[C@@H]1CCCO1 ZINC000587580149 JH Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)NC[C@@H]1CCCO1 ZINC000587580150 JH Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)NC[C@H]1CCCO1 ZINC000587580151 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580280 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580281 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580282 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580283 JH Annotated Anodyne Cn1cc(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587580291 JH Annotated Anodyne Cn1cc(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587580294 JH Annotated Anodyne Cn1cc(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587580296 JH Annotated Anodyne Cn1cc(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587580298 JH Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580317 JH Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580318 JH Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580319 JH Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580321 JH Annotated Anodyne N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580383 JH Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580390 JH Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580392 JH Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580394 JH Annotated Mild CCOC(=O)c1cnn(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587580403 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587580412 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587580414 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587580415 JH Annotated Anodyne Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580432 JH Annotated Anodyne Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580433 JH Annotated Anodyne Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580435 JH Annotated Anodyne Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580437 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580519 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580522 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580523 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580524 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580859 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580861 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580864 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580866 JH Annotated Anodyne NC(=O)Cc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N ZINC000587581035 JH Annotated Anodyne NC(=O)Cc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N ZINC000587581040 JH Annotated Anodyne NC(=O)Cc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N ZINC000587581041 JH Annotated Anodyne NC(=O)Cc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N ZINC000587581042 JH Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581553 JH Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581554 JH Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581555 JH Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581556 JH Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581818 JH Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581819 JH Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581820 JH Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581821 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582094 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582095 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582096 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582097 JH Annotated Anodyne C[C@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582154 JH Annotated Anodyne C[C@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582155 JH Annotated Anodyne C[C@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582156 JH Annotated Anodyne C[C@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582157 JH Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582496 JH Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582497 JH Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582498 JH Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582499 JH Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582658 JH Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582659 JH Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582660 JH Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582661 JH Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587582666 JH Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587582667 JH Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587582668 JH Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587582669 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582682 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582683 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582684 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582685 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587582938 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587582939 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587582940 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587582941 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583098 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583099 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583100 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583101 JH Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583106 JH Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583107 JH Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583108 JH Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583109 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583136 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583137 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583138 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583139 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583203 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583205 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583207 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583209 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587583324 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587583325 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587583326 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@@H]2[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587583327 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583342 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583343 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583344 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583345 JH Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583525 JH Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583526 JH Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583527 JH Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583528 JH Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583531 JH Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583533 JH Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583579 JH Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583580 JH Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583581 JH Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583582 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584078 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584079 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584080 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584081 JH Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587584104 JH Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587584108 JH Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587584109 JH Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587584110 JH Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000587584221 JH Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000587584223 JH Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000587584224 JH Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000587584225 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584389 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584390 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584391 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584392 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584625 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584626 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584627 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584628 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584637 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584638 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584639 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584640 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584649 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584650 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584651 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584652 JH Annotated Anodyne O=C(O)C1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584792 JH Annotated Anodyne O=C(O)C1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584793 JH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCCN1CCOCC1 ZINC000587585010 JH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCCN1CCOCC1 ZINC000587585011 JH Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCCN1CCOCC1 ZINC000587585012 JH Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCCN1CCOCC1 ZINC000587585013 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585082 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585083 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585084 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585085 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585262 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585263 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585264 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585266 JH Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585294 JH Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585295 JH Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585296 JH Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585297 JH Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585651 JH Annotated Anodyne CCN(CC)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585654 JH Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585657 JH Annotated Anodyne CCN(CC)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585659 JH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586242 JH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586244 JH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586245 JH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586246 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587586513 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587586517 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587586520 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587586524 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586792 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586795 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586797 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586799 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586801 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586803 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586805 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586807 JH Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587586824 JH Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587586825 JH Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587586826 JH Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587586827 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C)OC ZINC000587587140 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C)OC ZINC000587587143 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C)OC ZINC000587587144 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C)OC ZINC000587587146 JH Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587262 JH Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587266 JH Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587678 JH Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587679 JH Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587680 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](C(=O)O)N(C(=O)OCc1ccccc1)C2 ZINC000587587684 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](C(=O)O)N(C(=O)OCc1ccccc1)C2 ZINC000587587687 JH Annotated Anodyne O=C(O)[C@H]1C[C@]2(CN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587690 JH Annotated Anodyne O=C(O)[C@H]1C[C@@]2(CN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587692 JH Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587693 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589737 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589738 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589739 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589740 JH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590061 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590062 JH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590063 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590064 JH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590065 JH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590066 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590067 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590068 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000587590906 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000587590907 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000587590908 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000587590909 JH Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590922 JH Annotated Anodyne C[C@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590923 JH Annotated Anodyne C[C@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590924 JH Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590925 JH Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591179 JH Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591197 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592592 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592615 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592618 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592620 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592771 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592772 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592773 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592774 JH Annotated Anodyne CN1CCN(c2ccc([C@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593080 JH Annotated Mild CN1CCN(c2ccc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593085 JH Annotated Mild CN1CCN(c2ccc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593087 JH Annotated Mild CN1CCN(c2ccc([C@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593089 JH Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593197 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593198 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593199 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593200 JH Annotated Anodyne CC1(C)C(=O)NC2=C1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc12 ZINC000587593387 JH Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc12 ZINC000587593388 JH Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc12 ZINC000587593389 JH Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc12 ZINC000587593390 JH Annotated Mild CCOC(=O)C1(C(=O)OCC)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593451 JH Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593452 JH Annotated Anodyne COc1c2c(c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c1OCO3)CCN(C)C2 ZINC000587593580 JH Annotated Anodyne COc1c2c(c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c1OCO3)CCN(C)C2 ZINC000587593581 JH Annotated Anodyne COc1c2c(c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c1OCO3)CCN(C)C2 ZINC000587593582 JH Annotated Anodyne COc1c2c(c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c1OCO3)CCN(C)C2 ZINC000587593585 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593591 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593600 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593603 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593607 JH Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)CC1 ZINC000587594147 JH Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)CC1 ZINC000587594149 JH Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)CC1 ZINC000587594150 JH Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)CC1 ZINC000587594151 JH Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594199 JH Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594202 JH Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594205 JH Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594208 JH Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594507 JH Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594512 JH Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594515 JH Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594518 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594834 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594835 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594836 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594838 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595190 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595191 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595192 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595193 JH Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595334 JH Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595336 JH Annotated Anodyne COc1cc(CC(=O)O)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595338 JH Annotated Anodyne COc1cc(CC(=O)O)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595340 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O[C@H](C)C(=O)O ZINC000587595380 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587595385 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O[C@H](C)C(=O)O ZINC000587595387 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587595389 JH Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595558 JH Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595559 JH Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595561 JH Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595562 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596563 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596565 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596567 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596569 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@]2(CCNC2)C1 ZINC000587596648 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@]2(CCNC2)C1 ZINC000587596650 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@]2(CCNC2)C1 ZINC000587596652 JH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@]2(CCNC2)C1 ZINC000587596654 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597383 JH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597386 JH Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597696 JH Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597721 JH Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597723 JH Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597725 JH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCC(=O)O ZINC000587597753 JH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCC(=O)O ZINC000587597754 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCC(=O)O ZINC000587597755 JH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCC(=O)O ZINC000587597756 JH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587598030 JH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587598035 JH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587598039 JH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587598043 JH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587598077 JH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587598080 JH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587598083 JH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587598085 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587598203 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587598204 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587598205 JH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587598206 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598665 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598666 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598667 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598668 JH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCCN1CCN(C)CC1 ZINC000587598681 JH Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCCN1CCN(C)CC1 ZINC000587598682 JH Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCCN1CCN(C)CC1 ZINC000587598683 JH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCCN1CCN(C)CC1 ZINC000587598684 JH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599476 JH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599478 JH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599480 JH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599481 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599630 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599631 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599632 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599633 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599891 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599892 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599893 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599894 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601341 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601342 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601344 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601346 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601853 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601855 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601857 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601859 JH Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605259 JH Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605266 JH Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605268 JH Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605270 JH Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605275 JH Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605276 JH Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605277 JH Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605278 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587605289 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587605290 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587605291 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587605292 JH Annotated Anodyne C=CCNS(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605367 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605373 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605375 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605377 JH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605832 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605843 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605846 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605848 JH Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cc(CO)cc21 ZINC000587605949 JH Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cc(CO)cc21 ZINC000587605950 JH Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cc(CO)cc21 ZINC000587605951 JH Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cc(CO)cc21 ZINC000587605952 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587605961 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587605962 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587605963 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587605964 JH Annotated Anodyne CS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587606047 JH Annotated Reactive CS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587606048 JH Annotated Reactive CS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587606049 JH Annotated Reactive CS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587606050 JH Annotated Reactive Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587606098 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587606099 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587606100 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587606101 JH Annotated Anodyne O=C1c2c(O)cccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CO)cc(O)c21 ZINC000587606299 JH Annotated Anodyne O=C1c2c(O)cccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CO)cc(O)c21 ZINC000587606302 JH Annotated Anodyne O=C1c2c(O)cccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CO)cc(O)c21 ZINC000587606305 JH Annotated Anodyne O=C1c2c(O)cccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CO)cc(O)c21 ZINC000587606306 JH Annotated Anodyne NS(=O)(=O)c1cc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587606323 JH Annotated Anodyne NS(=O)(=O)c1cc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587606328 JH Annotated Anodyne NS(=O)(=O)c1cc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587606329 JH Annotated Anodyne NS(=O)(=O)c1cc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587606330 JH Annotated Anodyne C[C@]1(c2ccc(Br)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606691 JH Annotated Anodyne C[C@@]1(c2ccc(Br)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606693 JH Annotated Anodyne C[C@@]1(c2ccc(Br)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606694 JH Annotated Anodyne C[C@]1(c2ccc(Br)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606696 JH Annotated Anodyne O=C1c2c(ccc(O)c2O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587606745 JH Annotated Clean O=C1c2c(ccc(O)c2O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587606746 JH Annotated Clean O=C1c2c(ccc(O)c2O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587606747 JH Annotated Clean O=C1c2c(ccc(O)c2O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587606748 JH Annotated Clean CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606891 JH Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606892 JH Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606893 JH Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606894 JH Annotated Reactive [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606919 JH Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606920 JH Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606921 JH Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606922 JH Annotated Unstable Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606965 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]3C2)cc1 ZINC000587606966 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]3C2)cc1 ZINC000587606967 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606968 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000587607116 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000587607126 JH Annotated Anodyne [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607424 JH Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607426 JH Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607429 JH Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607432 JH Annotated Unstable CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607545 JH Annotated Reactive CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607548 JH Annotated Reactive CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607549 JH Annotated Reactive CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607550 JH Annotated Reactive CN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587607558 JH Annotated Reactive CN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587607560 JH Annotated Reactive CN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587607562 JH Annotated Reactive CN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587607563 JH Annotated Reactive CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607752 JH Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607756 JH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607758 JH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607760 JH Annotated Anodyne O=C1c2ccc(O)c(O)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608017 JH Annotated Clean O=C1c2ccc(O)c(O)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608020 JH Annotated Clean O=C1c2ccc(O)c(O)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608025 JH Annotated Clean O=C1c2ccc(O)c(O)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc(O)c21 ZINC000587608028 JH Annotated Clean Cc1ccc(S(=O)(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587608380 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587608385 JH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C[S@@](=O)CC(=O)O ZINC000587608458 JH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C[S@](=O)CC(=O)O ZINC000587608459 JH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C[S@](=O)CC(=O)O ZINC000587608460 JH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C[S@@](=O)CC(=O)O ZINC000587608461 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CN(S(=O)(=O)c3ccccc3)C1)C2 ZINC000587608658 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC1(CN(S(=O)(=O)c3ccccc3)C1)C2 ZINC000587608664 JH Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)c(O)cc(O)c21 ZINC000587608881 JH Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)c(O)cc(O)c21 ZINC000587608887 JH Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)c(O)cc(O)c21 ZINC000587608888 JH Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)c(O)cc(O)c21 ZINC000587608889 JH Annotated Clean C=CCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608988 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608990 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608992 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608993 JH Annotated Mild NS(=O)(=O)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609293 JH Annotated Anodyne NS(=O)(=O)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609299 JH Annotated Anodyne NS(=O)(=O)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609301 JH Annotated Anodyne NS(=O)(=O)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609302 JH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CS(C)(=O)=O ZINC000587609332 JH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CS(C)(=O)=O ZINC000587609340 JH Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CS(C)(=O)=O ZINC000587609343 JH Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CS(C)(=O)=O ZINC000587609345 JH Annotated Anodyne CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609395 JH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609401 JH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609402 JH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609404 JH Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cc(O)c(O)c21 ZINC000587609648 JH Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cc(O)c(O)c21 ZINC000587609649 JH Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cc(O)c(O)c21 ZINC000587609650 JH Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cc(O)c(O)c21 ZINC000587609651 JH Annotated Clean CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609993 JH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609998 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O ZINC000587610080 JH Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O ZINC000587610083 JH Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O ZINC000587610084 JH Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O ZINC000587610086 JH Annotated Clean CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610196 JH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610199 JH Annotated Reactive C[C@]1(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610357 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610361 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610362 JH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610365 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610464 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610465 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610466 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610468 JH Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611026 JH Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611027 JH Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611028 JH Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611029 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CS(=O)(=O)c1ccccc1 ZINC000587611172 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CS(=O)(=O)c1ccccc1 ZINC000587611173 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CS(=O)(=O)c1ccccc1 ZINC000587611174 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CS(=O)(=O)c1ccccc1 ZINC000587611176 JH Annotated Reactive O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587612035 JH Annotated Anodyne O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587612039 JH Annotated Anodyne O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587612042 JH Annotated Anodyne O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587612044 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612204 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612205 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612206 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612207 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCO2 ZINC000587612516 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCO2 ZINC000587612517 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCO2 ZINC000587612518 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCO2 ZINC000587612519 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613319 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613321 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613322 JH Annotated Anodyne O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613323 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614650 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614651 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614652 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614653 JH Annotated Anodyne C[C@@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614830 JH Annotated Anodyne C[C@@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614831 JH Annotated Anodyne C[C@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614832 JH Annotated Anodyne C[C@]1(c2cccc(N3CCCS3(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614833 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 ZINC000587614877 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 ZINC000587614878 JH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 ZINC000587614879 JH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 ZINC000587614880 JH Annotated Reactive C[C@@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615142 JH Annotated Anodyne C[C@@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615143 JH Annotated Anodyne C[C@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615144 JH Annotated Anodyne C[C@]1(c2ccc(N3CCCS3(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615145 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587615887 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587615888 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587615889 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587615890 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616007 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616010 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616012 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616014 JH Annotated Anodyne O=C(O)CCNC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616214 JH Annotated Anodyne O=C(O)CCNC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616215 JH Annotated Anodyne O=C(O)CCNC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616216 JH Annotated Anodyne O=C(O)CCNC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616217 JH Annotated Anodyne Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616342 JH Annotated Reactive Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616343 JH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616344 JH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616345 JH Annotated Reactive CC1(C)OC(=O)C([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O1 ZINC000587616467 JH Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O1 ZINC000587616468 JH Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O1 ZINC000587616469 JH Annotated Anodyne CC1(C)OC(=O)C([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O1 ZINC000587616470 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617193 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617194 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617196 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617197 JH Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617200 JH Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617201 JH Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617204 JH Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617205 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(NC(=O)[C@H](C)Cl)c2c1 ZINC000587617282 JH Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(NC(=O)[C@@H](C)Cl)c2c1 ZINC000587617288 JH Annotated Reactive CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)CCl ZINC000587618192 JH Annotated Reactive CCOC(=O)Cc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618483 JH Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(=O)C(F)(F)F)c(C)c2c1 ZINC000587618493 JH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCSCC2)nc2ccccn2c1=O ZINC000587618711 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCSCC2)nc2ccccn2c1=O ZINC000587618712 JH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCSCC2)nc2ccccn2c1=O ZINC000587618713 JH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCSCC2)nc2ccccn2c1=O ZINC000587618714 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3(Cl)CC3)c(-n3cncn3)c2c1 ZINC000587618817 JH Annotated Bother CCOC(=O)c1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618841 JH Annotated Reactive COC(=O)[C@@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587618867 JH Annotated Reactive COC(=O)[C@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587618870 JH Annotated Reactive CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)C(F)F ZINC000587619194 JH Annotated Bother CCOC(=O)C(=O)c1c(C(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619239 JH Annotated Bother CCOC(=O)c1c(-c2cnccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620202 JH Annotated Bother CCOC(=O)[C@@H](F)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587620314 JH Annotated Bother CCOC(=O)[C@H](F)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587620319 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]ccc3=N)c(C)c2c1 ZINC000587620336 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-n3cncn3)c2c1 ZINC000587620502 JH Annotated Bother CNC(=O)c1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620532 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cccnc3)c2c1 ZINC000587620741 JH Annotated Bother COC(=O)c1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620754 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3C)c(C)c2c1 ZINC000587620782 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncnn3C)c(C(C)C)c2c1 ZINC000587620877 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)on3)c(C#N)c2c1 ZINC000587620888 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCOCC3)c(C#N)c2c1 ZINC000587620917 JH Annotated Mild COc1cc(-c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)ncn1 ZINC000587620931 JH Annotated Bother CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)cn1 ZINC000587620971 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccncc3)c(CC(=O)O)c2c1 ZINC000587620984 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C)c2c1 ZINC000587621012 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ncccc3C(=O)O)c2c1 ZINC000587621015 JH Annotated Bother C=Cc1c(CNC(=O)OCC)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621069 JH Annotated Bother COC(=O)c1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)cn1C ZINC000587621093 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccnc3)c2c1 ZINC000587621116 JH Annotated Bother CCc1nccn1-c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621121 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc[nH]3)c(CC(=O)O)c2c1 ZINC000587621128 JH Annotated Bother COC(=O)c1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621159 JH Annotated Bother CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)c(C)n1 ZINC000587621164 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccncc3)c2c1 ZINC000587621166 JH Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C[C@@H](C)[N+](=O)[O-] ZINC000587621184 JH Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C[C@H](C)[N+](=O)[O-] ZINC000587621185 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(OC)c2c1 ZINC000587621215 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(C)nn(C)c3C)c(C#N)c2c1 ZINC000587621253 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc([N+](=O)[O-])cc3C)c2c1 ZINC000587621259 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC[C@@H](C)[N+](=O)[O-])c(C)c2c1 ZINC000587621268 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC[C@H](C)[N+](=O)[O-])c(C)c2c1 ZINC000587621269 JH Annotated Bother CCN(CC)C(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621307 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccco3)c2c1 ZINC000587621325 JH Annotated Bother COC(=O)c1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)c[nH]1 ZINC000587621454 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C)cc3C)c2c1 ZINC000587621468 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(N)c3)c(CC(=O)O)c2c1 ZINC000587621503 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nnc4ccccc43)c2c1 ZINC000587621509 JH Annotated Bother COC(=O)c1c(-c2ccncc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621560 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(N)cc3)c(CC(=O)O)c2c1 ZINC000587621608 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cn3ccnc3C)c2c1 ZINC000587621620 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccccn3)c2c1 ZINC000587621632 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(CC(=O)O)c2c1 ZINC000587621698 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H]3CCCOC3)c(C#N)c2c1 ZINC000587621714 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H]3CCCOC3)c(C#N)c2c1 ZINC000587621715 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3nccc(C)n3)c2c1 ZINC000587621734 JH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cnc(C)c3C)c2c1 ZINC000587621783 JH Annotated Bother COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1C(=O)OC ZINC000587622513 JH Annotated Anodyne CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623182 JH Annotated Anodyne CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623190 JH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000587623207 JH Annotated Anodyne Cc1c(C(=O)c2c(-c3cnn(C)c3C)[nH]c3c2c(Br)cc2n[nH]cc23)cnn1C ZINC000587623292 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623362 JH Annotated Anodyne CC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1C(=O)c2ccccc2C1=O ZINC000587623495 JH Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)c2ccccc2C1=O ZINC000587623501 JH Annotated Anodyne COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623515 JH Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623529 JH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623668 JH Annotated Clean COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587623805 JH Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000587623850 JH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC ZINC000587626915 JH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC ZINC000587627391 JH Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)OC ZINC000587627748 JH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC ZINC000587631689 JH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC ZINC000587631955 JH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC ZINC000587632167 JH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC ZINC000587632369 JH Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2cccc(F)c12 ZINC000587635373 JH Annotated Anodyne CCCCCCc1[nH]c2cc(F)ccc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587635383 JH Annotated Anodyne CCCCCCc1[nH]c2cccc(F)c2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587635747 JH Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2cc(F)ccc12 ZINC000587636119 JH 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(=O)O)cccc2c1O ZINC000587637315 JH Annotated Mild COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)C(C)(C)C1 ZINC000587650628 JH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCC1OCCO1 ZINC000587650909 JH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCC1OCCO1 ZINC000587650911 JH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651043 JH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651044 JH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651045 JH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651046 JH Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587651227 JH Annotated Anodyne Cc1cc(-c2ccc(Cl)cc2)nc2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)nn12 ZINC000587651296 JH Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1cc(C(F)(F)F)n(C)n1 ZINC000587651303 JH Annotated Anodyne O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651358 JH Annotated Bother O=C(c1ccn(COc2ccc(Br)cc2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651544 JH Annotated Anodyne O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651667 JH Annotated Bother O=C(C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651904 JH Annotated Anodyne O=C(C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651907 JH Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1cc(C(F)(F)F)nn1C ZINC000587652005 JH Annotated Anodyne O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652091 JH Annotated Anodyne O=C(COc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O)Nc1ccccc1F ZINC000587652154 JH Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Br ZINC000587653107 JH Annotated Anodyne Cc1nn(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Br ZINC000587653146 JH Annotated Anodyne Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587653212 JH Annotated Bother Cn1nc(Br)c2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ncnc21 ZINC000587653583 JH Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc(-c3cnn(C)c3C)nc21 ZINC000587653604 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587653664 JH Annotated Bother Cc1c(Br)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C ZINC000587653762 JH Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654154 JH Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654156 JH Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654158 JH Annotated Anodyne Cc1c(Br)cnn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654305 JH Annotated Anodyne NNc1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Cl)c(N)c1Cl ZINC000587654598 JH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000587654665 JH Annotated Bother CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1 ZINC000587655156 JH Annotated Anodyne O=C(Cn1cc(C(F)(F)F)ccc1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655343 JH Annotated Anodyne COC(=O)c1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1C(F)(F)F ZINC000587655351 JH Annotated Anodyne O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655356 JH Annotated Bother O=C(c1cc(I)c[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655363 JH Annotated Anodyne Nc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1-c1ccc(F)cc1 ZINC000587655555 JH Annotated Anodyne C[C@](Cc1ccc(O)c(O)c1)(C(=O)O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655799 JH Annotated Clean Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587655826 JH Annotated Bother Cc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587655835 JH Annotated Bother CC(C)(C)OC(=O)N1CCN(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587655895 JH Annotated Anodyne O=C(Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656019 JH Annotated Anodyne O=C(c1ccn(Cn2cc(Cl)cn2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656022 JH Annotated Anodyne COCCc1noc(-c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2)n1 ZINC000587656111 JH Annotated Anodyne O=C(CN1CCN(Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656643 JH Annotated Anodyne Cn1nc(Br)c2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ncnc21 ZINC000587656654 JH Annotated Anodyne O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656692 JH Annotated Bother Cc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587656705 JH Annotated Bother O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656975 JH Annotated Bother Cc1cc(C)n(Cn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)n1 ZINC000587657080 JH Annotated Anodyne O=C1N[C@@H]2[C@H](CCCCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)SC[C@@H]2N1 ZINC000587657202 JH Annotated Anodyne O=C(c1cc(N2CCOCC2)ccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657285 JH Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657413 JH Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657414 JH Annotated Bother O=C1C=CC(=O)N1c1ccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657517 JH Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587657518 JH Annotated Anodyne Nc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1Cc1ccccc1 ZINC000587657540 JH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)Nc2ccccn2)cn1 ZINC000587657682 JH Annotated Anodyne O=C(c1ccn(Cn2cc(Br)cn2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657769 JH Annotated Anodyne O=C(Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657834 JH Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587657987 JH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587657991 JH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000587658005 JH Annotated Anodyne O=C(Cc1csc(N2CCOCC2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658045 JH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587658055 JH Annotated Anodyne Cc1ccc(-n2ccc(=O)c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587658260 JH Annotated Anodyne O=C(c1cccc(I)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658316 JH Annotated Anodyne O=C(c1cc(I)c[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658359 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587658398 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587658413 JH Annotated Anodyne O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658805 JH Annotated Anodyne O=C(c1nc(-c2cn(-c3cccc(F)c3)nn2)no1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658878 JH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587658916 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2oc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587658926 JH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587659178 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587660347 JH Annotated Anodyne CCn1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(=O)c2ccc(C)nc21 ZINC000587660595 JH Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587661028 JH Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587661030 JH Annotated Anodyne O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661133 JH Annotated Bother CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661136 JH Annotated Bother CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661412 JH Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661414 JH Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)CC2=O)cc1 ZINC000587661559 JH Annotated Anodyne COc1ccc(N2C[C@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)CC2=O)cc1 ZINC000587661560 JH Annotated Anodyne O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587661595 JH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587661647 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2oc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1 ZINC000587661703 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1 ZINC000587661705 JH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587661759 JH Annotated Anodyne O=C1N[C@@H]2[C@H](CCCCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)SC[C@@H]2N1 ZINC000587661883 JH Annotated Anodyne Cc1ccc(-n2ccc(=O)c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587662086 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587662693 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663179 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587663202 JH Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663398 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cnc(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663438 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cnnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663450 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663454 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CS(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663816 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncc(NC(C)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664125 JH Annotated Anodyne CCOc1oc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc1C ZINC000587664181 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664326 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(Cl)nc4[nH]cnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664441 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587664819 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nnc(O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664857 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664922 JH Annotated Anodyne CCOC(=O)c1cnc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc1C ZINC000587665059 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](N)Cc3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665122 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN(C)C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665180 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)c(C)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665257 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Cl)c(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665269 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](N)Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665481 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587665588 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665706 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Br)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665727 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCC(=O)NC)c(=O)c3ccccc23)c(O)c1 ZINC000587665755 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Cl)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665759 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(Cl)cc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587665776 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665788 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(N(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666019 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666067 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(Cl)c([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666403 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666430 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666442 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-n4ccnc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666483 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3C(=O)COc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587666494 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666578 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666876 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666917 JH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(S)n3N)c(=O)c3ccccc23)c(O)c1 ZINC000587666950 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N4CCOCC4)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667003 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccn(C)n4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667016 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667103 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667105 JH Annotated Bother CCc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c1=O)CC2 ZINC000587667106 JH Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c1=O)CC2 ZINC000587667108 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667124 JH Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccc(CS(=O)(=O)NC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667133 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667136 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667154 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667193 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667194 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CCN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667211 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3C[C@H](C)O[C@@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667217 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3C[C@@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667218 JH Annotated Anodyne CCC(CC)NC(=O)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667354 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnc4n[nH]c(C)c4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667442 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667468 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(c4ncccn4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667512 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(C)(=O)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667532 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnn3C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587667548 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(F)c(F)c(N)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667577 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(C)=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667643 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(C)=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667644 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(c4ncccn4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667657 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(c4ncccn4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667658 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-n4cccn4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667660 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667662 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667663 JH Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nnnn3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667666 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCCCCC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667674 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667704 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667705 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cn3nnc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667731 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587667815 JH Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)CNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667843 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667870 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(C5CC5)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667871 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667877 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3ncc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667894 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]c4c3CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587667926 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4nccn4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667946 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667948 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(N)cc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667951 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]c(C)c(C(=O)NC)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667958 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(O)c(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668002 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C(=O)N4CCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668089 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668101 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)Cn3cc(Cl)c([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC ZINC000587668190 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668299 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668389 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668391 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)Cn3nnc(-c4ccccc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668455 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-n4cnnn4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668580 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668602 JH Annotated Bother CCOc1ccc(-c2nn(-c3ncc(F)c(N4CCOCC4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668609 JH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(CS(=O)(=O)NC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668669 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)NC(CC)CC)c(=O)c3ccccc23)cc1OCC ZINC000587668741 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668917 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668950 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668955 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cncc(NC(C)=O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668957 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668959 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669220 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCN3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669235 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCCN(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587669242 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3[nH]c(C)c(C(=O)NC)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669259 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCCCCC3=O)c(=O)c3ccccc23)cc1OCC ZINC000587669267 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(C)c(=O)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669280 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669334 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669350 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=S)NCc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669366 JH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(Br)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587669453 JH Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(Cl)cc3C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587669487 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc(N)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669639 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(CC)n4C3)c(=O)c3ccccc23)cc1OCC ZINC000587669647 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(CC)n4C3)c(=O)c3ccccc23)cc1OCC ZINC000587669650 JH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-n4ccnc4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587669722 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587669743 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN(C(C)=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669759 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(C)=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669760 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669877 JH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CNC(=O)c3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587669901 JH Annotated Anodyne COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669955 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669961 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669963 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669964 JH Annotated Reactive CCOc1ccc(-c2nn(-c3nc(N)nc(-c4ccccn4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669999 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670000 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cc(O)nc(S)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670015 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(Cl)cnn3C)c(=O)c3ccccc23)cc1OCC ZINC000587670044 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(C)(=O)=O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670269 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587670409 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670420 JH Annotated Bother CCOc1ccc(-c2nn(-c3nnc(NN)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670433 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](N)Cc3ccc(O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670497 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)Nc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587670655 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)Nc3ccc(OC)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587670845 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(C)n4C3)c(=O)c3ccccc23)cc1OCC ZINC000587670850 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(C)n4C3)c(=O)c3ccccc23)cc1OCC ZINC000587670854 JH Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(C(=O)N4CCCC4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670926 JH Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)NC2=N1 ZINC000587670929 JH Annotated Anodyne CCOc1ccc(-c2nn(-c3nnnn3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670936 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC ZINC000587670937 JH Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3csc(N)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671022 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3C(=O)COc4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587671118 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671208 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NC(=O)C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587671284 JH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNC(=O)c3cccs3)c(=O)c3ccccc23)cc1OCC ZINC000587671348 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587671457 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NC[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587671486 JH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NC[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587671488 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587671926 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587671927 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587671928 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587671929 JH Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587672048 JH Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587672051 JH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587672053 JH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587672054 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672309 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672311 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672313 JH Annotated Reactive COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672315 JH Annotated Reactive CCOc1ccc(-c2nn(C(=O)CNC(=O)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672424 JH Annotated Anodyne CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587672517 JH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587672519 JH Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587672521 JH Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587672522 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587672642 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587672643 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587672644 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587672646 JH Annotated Reactive CCOc1ccc(-c2nn(C(=O)CNC(=O)c3ccco3)c(=O)c3ccccc23)cc1OCC ZINC000587672748 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(=O)CBr)N1 ZINC000587672833 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(=O)CBr)N1 ZINC000587672834 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(=O)CBr)N1 ZINC000587672835 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(=O)CBr)N1 ZINC000587672836 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673087 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673088 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673089 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673090 JH Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587673279 JH Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587673283 JH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587673329 JH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587673330 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673401 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673402 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673403 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 ZINC000587673404 JH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587673797 JH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587673798 JH Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587673799 JH Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587673800 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(=O)CBr)N1 ZINC000587673953 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(=O)CBr)N1 ZINC000587673954 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(=O)CBr)N1 ZINC000587673955 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(=O)CBr)N1 ZINC000587673956 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587674187 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587674188 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587674189 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 ZINC000587674190 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587674191 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587674192 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587674193 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(c2ccccc2)N1 ZINC000587674194 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Br)C1 ZINC000587677486 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Br)C1 ZINC000587677494 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Br)C1 ZINC000587677495 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](Br)C1 ZINC000587677496 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587678322 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587678324 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587678326 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587678328 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587680348 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587680352 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587680353 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587680354 JH Annotated Clean CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](Br)C1 ZINC000587682090 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Br)C1 ZINC000587682092 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Br)C1 ZINC000587682094 JH Annotated Reactive CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Br)C1 ZINC000587682096 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587682213 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587682232 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587682235 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587682237 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587682248 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587682249 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587682250 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 ZINC000587682251 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587682538 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587682570 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587682573 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587682576 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587683166 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587683168 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587683169 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Br)cc2O)N1 ZINC000587683172 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587683188 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587683190 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587683193 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587683195 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587683897 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587683898 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587683899 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000587683900 JH Annotated Anodyne CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2N1 ZINC000587684712 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2N1 ZINC000587684715 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]2N1 ZINC000587684717 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]2N1 ZINC000587684720 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587684978 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587684980 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587684982 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587684984 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2N1 ZINC000587686422 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2N1 ZINC000587686423 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]2N1 ZINC000587686424 JH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]2N1 ZINC000587686425 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587688532 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587688533 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587688534 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(C(=O)O)cc12 ZINC000587688535 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(N)=O ZINC000587691121 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(N)=O ZINC000587691122 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(N)=O ZINC000587691123 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(N)=O ZINC000587691124 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587691262 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587691273 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587691275 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587691277 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587692153 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587692154 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587692155 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587692156 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587694536 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587694541 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587694543 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587694545 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(N)=O ZINC000587694717 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(N)=O ZINC000587694718 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(N)=O ZINC000587694719 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(N)=O ZINC000587694720 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587696378 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587696379 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587696382 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(-c3ccc(Cl)cc3)c2N)N1 ZINC000587696384 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587698861 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587698863 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587698865 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(CCO)CC3)cc2Cl)N1 ZINC000587698868 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587699893 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587699894 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587699895 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnnn3C)c(Cl)c2)N1 ZINC000587699896 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587700837 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587700841 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587700842 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587700844 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587700919 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587700924 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587700926 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587700927 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587702769 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587702772 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587703048 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587703050 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703595 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703596 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703597 JH Annotated Anodyne COC(=O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703598 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587703760 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587703762 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587703764 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(-c3cccnc3Cl)c(=O)nc2O)N1 ZINC000587703766 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587705201 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587705202 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587705203 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(c3cccc(Cl)c3)N=C2C(=O)O)N1 ZINC000587705204 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)C(F)(F)F)/C2=C\N(C)C)N1 ZINC000587708868 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)C(F)(F)F)/C2=C/N(C)C)N1 ZINC000587708869 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)C(F)(F)F)/C2=C/N(C)C)N1 ZINC000587708870 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)C(F)(F)F)/C2=C\N(C)C)N1 ZINC000587708871 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)C(F)(F)F)/C2=C/N(C)C)N1 ZINC000587709066 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)C(F)(F)F)/C2=C\N(C)C)N1 ZINC000587709067 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)C(F)(F)F)/C2=C/N(C)C)N1 ZINC000587709068 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)C(F)(F)F)/C2=C\N(C)C)N1 ZINC000587709069 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587709086 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587709087 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587709088 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587709089 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587709300 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587709301 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587709302 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587709303 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587710868 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587710869 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587710870 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@](O)(c2nccn2C)C(F)(F)F)N1 ZINC000587710871 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587711676 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587711677 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587711678 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587711679 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587712238 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587712239 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587712240 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587712241 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587713179 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587713182 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587713184 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(C(F)(F)F)nc2)N1 ZINC000587713187 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717436 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717453 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717459 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717464 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718316 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718319 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718322 JH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718324 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721048 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721053 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721055 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721058 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721934 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721935 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721936 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721937 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721982 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721983 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721984 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721985 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723628 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723629 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723630 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723631 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723757 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723763 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723765 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723767 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724396 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724397 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724398 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724399 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587725452 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587725453 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587725454 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587725455 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725672 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725673 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725674 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725675 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726069 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726071 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726072 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726073 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726138 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726139 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726140 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726141 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729242 JH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729252 JH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729254 JH Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729257 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587729346 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587729347 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587729348 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587729349 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587729400 JH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587729417 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587729420 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587729423 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587730097 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587730100 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587730103 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587730106 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587730437 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587730452 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587730455 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587730458 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ncn2C)N1 ZINC000587730620 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ncn2C)N1 ZINC000587730621 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ncn2C)N1 ZINC000587730622 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ncn2C)N1 ZINC000587730623 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731046 JH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731051 JH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731052 JH Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731054 JH Annotated Mild COC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587731864 JH Annotated Anodyne COC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587731865 JH Annotated Anodyne COC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587731866 JH Annotated Anodyne COC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587731867 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587731999 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732001 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732003 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732005 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)cnc2N)N1 ZINC000587732025 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)cnc2N)N1 ZINC000587732029 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)cnc2N)N1 ZINC000587732030 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)cnc2N)N1 ZINC000587732032 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587732034 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587732036 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587732039 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(I)ccc12 ZINC000587732041 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587732114 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587732115 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587732116 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(I)cc12 ZINC000587732119 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732694 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732697 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732700 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(I)c12 ZINC000587732703 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ncn2C)N1 ZINC000587732765 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ncn2C)N1 ZINC000587732769 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ncn2C)N1 ZINC000587732772 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ncn2C)N1 ZINC000587732775 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587732970 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587732971 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587732972 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C)c2)(c2cc(F)ccc2O)N1 ZINC000587732973 JH Annotated Mild CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733777 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733780 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733782 JH Annotated Anodyne CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733784 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nn(C)cc2I)N1 ZINC000587733801 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nn(C)cc2I)N1 ZINC000587733821 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nn(C)cc2I)N1 ZINC000587733824 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nn(C)cc2I)N1 ZINC000587733826 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587733998 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587734000 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587734125 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587734128 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)cnc2N)N1 ZINC000587734288 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)cnc2N)N1 ZINC000587734289 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)cnc2N)N1 ZINC000587734290 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)cnc2N)N1 ZINC000587734291 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nn(C)cc2I)N1 ZINC000587735421 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nn(C)cc2I)N1 ZINC000587735424 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nn(C)cc2I)N1 ZINC000587735427 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nn(C)cc2I)N1 ZINC000587735430 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587736087 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587736089 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587736090 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(I)cccc12 ZINC000587736092 JH Annotated Anodyne COC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587737326 JH Annotated Anodyne COC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587737328 JH Annotated Anodyne COC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587737331 JH Annotated Anodyne COC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(F)cc1 ZINC000587737333 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(I)cc2)N1 ZINC000587737387 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(I)cc2)N1 ZINC000587737397 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(I)cc2)N1 ZINC000587737400 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(I)cc2)N1 ZINC000587737402 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)cnn2C)N1 ZINC000587737509 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)cnn2C)N1 ZINC000587737511 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)cnn2C)N1 ZINC000587737513 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)cnn2C)N1 ZINC000587737514 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c(I)c2)N1 ZINC000587737966 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c(I)c2)N1 ZINC000587737967 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c(I)c2)N1 ZINC000587737968 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c(I)c2)N1 ZINC000587737969 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)cnn2C)N1 ZINC000587737992 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)cnn2C)N1 ZINC000587737993 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)cnn2C)N1 ZINC000587737994 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)cnn2C)N1 ZINC000587737995 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(I)cnn2C)N1 ZINC000587738078 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(I)cnn2C)N1 ZINC000587738079 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(I)cnn2C)N1 ZINC000587738080 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(I)cnn2C)N1 ZINC000587738081 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(I)cnn2C)N1 ZINC000587738248 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(I)cnn2C)N1 ZINC000587738249 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(I)cnn2C)N1 ZINC000587738250 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(I)cnn2C)N1 ZINC000587738251 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(I)cc2)N1 ZINC000587738711 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(I)cc2)N1 ZINC000587738712 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(I)cc2)N1 ZINC000587738713 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(I)cc2)N1 ZINC000587738714 JH Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739399 JH Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739400 JH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739401 JH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739403 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739423 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739424 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)NC(=O)CCC(=O)O)N1 ZINC000587739425 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)NC(=O)CCC(=O)O)N1 ZINC000587739426 JH Annotated Anodyne CC(=O)Nc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740046 JH Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740050 JH Annotated Clean CC(=O)Nc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740052 JH Annotated Clean CC(=O)Nc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740054 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c(I)c2)N1 ZINC000587740111 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c(I)c2)N1 ZINC000587740112 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c(I)c2)N1 ZINC000587740113 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c(I)c2)N1 ZINC000587740114 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)NC[C@H]2CCCO2)N1 ZINC000587741587 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)NC[C@@H]2CCCO2)N1 ZINC000587741589 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)NC[C@H]2CCCO2)N1 ZINC000587741633 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)NC[C@@H]2CCCO2)N1 ZINC000587741636 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)NC[C@H]2CCCO2)N1 ZINC000587742724 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)NC[C@@H]2CCCO2)N1 ZINC000587742725 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)NC[C@H]2CCCO2)N1 ZINC000587742727 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)NC[C@@H]2CCCO2)N1 ZINC000587742728 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587743238 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587743240 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587743242 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587743244 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587744389 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587744390 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587744391 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587744392 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587744758 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587744760 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587744763 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587744766 JH Annotated Clean COC(=O)[C@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744851 JH Annotated Bother COC(=O)[C@@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744853 JH Annotated Bother COC(=O)[C@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744854 JH Annotated Bother COC(=O)[C@@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744856 JH Annotated Bother COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744924 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744925 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744926 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744927 JH Annotated Mild COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O[C@@H](C)C(=O)O ZINC000587745174 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O[C@H](C)C(=O)O ZINC000587745181 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O[C@@H](C)C(=O)O ZINC000587745183 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O[C@H](C)C(=O)O ZINC000587745185 JH Annotated Bother C[C@@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745360 JH Annotated Mild C[C@@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745361 JH Annotated Mild C[C@@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745362 JH Annotated Mild C[C@@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745363 JH Annotated Mild CC(=O)Nc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745541 JH Annotated Clean CC(=O)Nc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745545 JH Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745549 JH Annotated Clean CC(=O)Nc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745552 JH Annotated Clean COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746058 JH Annotated Bother COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746061 JH Annotated Bother COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746062 JH Annotated Bother COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746063 JH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587746502 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587746504 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587746505 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587746506 JH Annotated Anodyne C[C@@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746525 JH Annotated Mild C[C@@H](CO)NC/C=C1\C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746526 JH Annotated Mild C[C@@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746527 JH Annotated Mild C[C@@H](CO)NC/C=C1/C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746528 JH Annotated Mild CC(=O)Nc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587746658 JH Annotated Clean CC(=O)Nc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587746659 JH Annotated Clean CC(=O)Nc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587746660 JH Annotated Clean CC(=O)Nc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587746661 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587746716 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587746717 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587746718 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587746719 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(N)ccc(O)c1C(=O)c1c(O)ccc(N)c12 ZINC000587747419 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(N)ccc(O)c1C(=O)c1c(O)ccc(N)c12 ZINC000587747426 JH Annotated Anodyne CC(=O)Nc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587747437 JH Annotated Clean CC(=O)Nc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587747438 JH Annotated Clean CC(=O)Nc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587747440 JH Annotated Clean CC(=O)Nc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587747442 JH Annotated Clean COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587747505 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587747506 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587747507 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587747508 JH Annotated Bother COC(=O)[C@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747611 JH Annotated Bother COC(=O)[C@@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747612 JH Annotated Bother COC(=O)[C@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747614 JH Annotated Bother COC(=O)[C@@]1(CC(=O)c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747616 JH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587747657 JH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587747659 JH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587747661 JH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587747663 JH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587747727 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587747729 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587747731 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])N1 ZINC000587747733 JH Annotated Mild COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587747734 JH Annotated Bother COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587747736 JH Annotated Bother COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587747738 JH Annotated Bother COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587747740 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O[C@@H](C)C(=O)O ZINC000587747896 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O[C@H](C)C(=O)O ZINC000587747898 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O[C@@H](C)C(=O)O ZINC000587747900 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O[C@H](C)C(=O)O ZINC000587747902 JH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(N)ccc(O)c1C(=O)c1c(O)ccc(N)c12 ZINC000587747924 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(N)ccc(O)c1C(=O)c1c(O)ccc(N)c12 ZINC000587747935 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748018 JH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748019 JH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748020 JH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748021 JH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(O)ccc(N)c1C(=O)c1c(N)ccc(O)c12 ZINC000587748037 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(O)ccc(N)c1C(=O)c1c(N)ccc(O)c12 ZINC000587748040 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(O)ccc(N)c1C(=O)c1c(N)ccc(O)c12 ZINC000587748117 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(O)ccc(N)c1C(=O)c1c(N)ccc(O)c12 ZINC000587748120 JH Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587748158 JH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587748159 JH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587748160 JH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587748161 JH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748280 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748282 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748284 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1 ZINC000587748286 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748554 JH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748556 JH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748557 JH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 ZINC000587748559 JH Annotated Bother Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCN1CCOCC1 ZINC000587748634 JH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCN1CCOCC1 ZINC000587748635 JH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCN1CCOCC1 ZINC000587748636 JH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCN1CCOCC1 ZINC000587748637 JH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCN1CCOCC1 ZINC000587748654 JH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCN1CCOCC1 ZINC000587748655 JH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCN1CCOCC1 ZINC000587748656 JH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCN1CCOCC1 ZINC000587748657 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587748747 JH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587748748 JH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587748750 JH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587748752 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587748762 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587748763 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587748765 JH Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587748767 JH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587749079 JH Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587749081 JH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587749082 JH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587749083 JH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749098 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749102 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749105 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749108 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587749434 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587749436 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587749439 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2cccc(C(=O)O)c2[N+](=O)[O-])N1 ZINC000587749442 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750259 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750260 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750261 JH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750262 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751895 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751896 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751897 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751898 JH Annotated Anodyne C/C(NCCCO)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752673 JH Annotated Mild C/C(NCCCO)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752675 JH Annotated Mild C/C(NCCCO)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752678 JH Annotated Mild C/C(NCCCO)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752681 JH Annotated Mild CCn1nc(C)c(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587753552 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587753559 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587753561 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587753563 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCNC(C)=O ZINC000587753665 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCNC(C)=O ZINC000587753679 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCNC(C)=O ZINC000587753682 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCNC(C)=O ZINC000587753685 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753768 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753777 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753779 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753781 JH Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753900 JH Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753901 JH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753903 JH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753905 JH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587754078 JH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587754082 JH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587754087 JH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587754090 JH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754145 JH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754146 JH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754148 JH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754149 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754158 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754166 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754168 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754170 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754885 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754886 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754887 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754888 JH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587755100 JH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587755101 JH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587755102 JH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587755103 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755143 JH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755144 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)NC(=O)CCC(=O)O)N1 ZINC000587755145 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)NC(=O)CCC(=O)O)N1 ZINC000587755146 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755348 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755349 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755350 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755352 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755653 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755654 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755655 JH Annotated Anodyne CCn1nc(C)c(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755656 JH Annotated Anodyne COC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755841 JH Annotated Anodyne COC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755842 JH Annotated Anodyne COC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755843 JH Annotated Anodyne COC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755844 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756040 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756042 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756044 JH Annotated Anodyne Cc1nn(C)cc1C(=O)[C@H](C)[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756045 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756258 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756259 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756260 JH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756261 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756710 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756712 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756714 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756717 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757179 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757184 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757186 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757189 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)N1 ZINC000587757671 JH Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757672 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)N1 ZINC000587757673 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)N1 ZINC000587757674 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)N1 ZINC000587757675 JH Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757677 JH Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757678 JH Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757679 JH Annotated Anodyne C/C(NCCCO)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757900 JH Annotated Mild C/C(NCCCO)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757907 JH Annotated Mild C/C(NCCCO)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757912 JH Annotated Mild C/C(NCCCO)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587757914 JH Annotated Mild COC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758449 JH Annotated Anodyne COC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758451 JH Annotated Anodyne COC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758453 JH Annotated Anodyne COC(=O)C[C@]1(CNC(=O)OCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758455 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCNC(C)=O ZINC000587758471 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCNC(C)=O ZINC000587758473 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCNC(C)=O ZINC000587758474 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCNC(C)=O ZINC000587758476 JH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758579 JH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758580 JH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758582 JH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758584 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758668 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758669 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758670 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758671 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758706 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758707 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758708 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758709 JH Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758836 JH Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758839 JH Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758842 JH Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758845 JH Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758892 JH Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758896 JH Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758901 JH Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758906 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759138 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759139 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759140 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759141 JH Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587759342 JH Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587759343 JH Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587759344 JH Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587759345 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759406 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759408 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759409 JH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759412 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587759552 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587759553 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587759554 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587759555 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)N1 ZINC000587759604 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)N1 ZINC000587759605 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)N1 ZINC000587759606 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)N1 ZINC000587759607 JH Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759878 JH Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759879 JH Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759880 JH Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759881 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759971 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759972 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759973 JH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759975 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760154 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760155 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760156 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760157 JH Annotated Anodyne CC(=O)C[C@@]1(CCN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760188 JH Annotated Anodyne CC(=O)C[C@]1(CCN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760189 JH Annotated Anodyne CC(=O)C[C@@]1(CCN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760190 JH Annotated Anodyne CC(=O)C[C@]1(CCN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760191 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760218 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760219 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760220 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760221 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587760234 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587760235 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587760236 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587760237 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760331 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760332 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760333 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760334 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760438 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760439 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760440 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760441 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760442 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760443 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760444 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760445 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760550 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760551 JH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760553 JH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760555 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760582 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760590 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760591 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760592 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760632 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760633 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760634 JH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760635 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760815 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760816 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760817 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760818 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587760839 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587760840 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587760841 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587760842 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760847 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760848 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760849 JH Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760850 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760855 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760856 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760857 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760858 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587760891 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587760892 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587760893 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587760894 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761043 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761044 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761045 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761046 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761063 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761064 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761065 JH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761066 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761238 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761241 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761242 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761243 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587761269 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587761271 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587761273 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587761274 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761314 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761316 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761318 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761320 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587761597 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587761598 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587761599 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587761600 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761603 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761604 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761605 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761606 JH Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587762080 JH Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587762081 JH Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587762082 JH Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587762083 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587762236 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587762237 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587762238 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587762239 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762300 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762301 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762302 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762303 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762500 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762501 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762503 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762505 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587762840 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587762842 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587762844 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)N1 ZINC000587762846 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762952 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762953 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762954 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762955 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763252 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763253 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763254 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763255 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763338 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763339 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763340 JH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763341 JH Annotated Anodyne CC(=O)C[C@@]1(CCN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763398 JH Annotated Anodyne CC(=O)C[C@]1(CCN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763399 JH Annotated Anodyne CC(=O)C[C@@]1(CCN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763400 JH Annotated Anodyne CC(=O)C[C@]1(CCN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763401 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763460 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@@]2(c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763462 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763464 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@@]2(c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763466 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763624 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763625 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763626 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763627 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@@]2(c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763736 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763737 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@@]2(c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763738 JH Annotated Anodyne Cc1c(C(=O)[C@H](C)[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763739 JH Annotated Anodyne Cc1c(C(=O)C[C@@]2(c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763788 JH Annotated Anodyne Cc1c(C(=O)C[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763789 JH Annotated Anodyne Cc1c(C(=O)C[C@@]2(c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763790 JH Annotated Anodyne Cc1c(C(=O)C[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763791 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764046 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764047 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764048 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764049 JH Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCN(C)CC1 ZINC000587764374 JH Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCN(C)CC1 ZINC000587764375 JH Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCN(C)CC1 ZINC000587764377 JH Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCN(C)CC1 ZINC000587764379 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCN(C)CC1 ZINC000587764408 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCN(C)CC1 ZINC000587764410 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCN(C)CC1 ZINC000587764413 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCN(C)CC1 ZINC000587764415 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCN(C)CC1 ZINC000587764596 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCN(C)CC1 ZINC000587764598 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCN(C)CC1 ZINC000587764599 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCN(C)CC1 ZINC000587764601 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587764699 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587764701 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587764703 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587764704 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764721 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764722 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764723 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764724 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764859 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764860 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764861 JH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764862 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587764916 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587764918 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587764920 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587764921 JH Annotated Clean CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765140 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765141 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765142 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765143 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587765322 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587765336 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587765337 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587765339 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)N1 ZINC000587765472 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)O)N1 ZINC000587765473 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)O)N1 ZINC000587765474 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)N1 ZINC000587765475 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)N1 ZINC000587765514 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)O)N1 ZINC000587765515 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)O)N1 ZINC000587765516 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)N1 ZINC000587765517 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587766182 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587766184 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587766186 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587766189 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587766424 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587766427 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587766429 JH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587766431 JH Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCN(C)CC1 ZINC000587766464 JH Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCN(C)CC1 ZINC000587766466 JH Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCN(C)CC1 ZINC000587766467 JH Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCN(C)CC1 ZINC000587766469 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587766536 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587766540 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587766543 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587766546 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766613 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766616 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766618 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766621 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766648 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766649 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766650 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766652 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766687 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766691 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766692 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766693 JH Annotated Anodyne Cc1c(C(=O)C[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587766807 JH Annotated Anodyne Cc1c(C(=O)C[C@@]2(c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587766810 JH Annotated Anodyne Cc1c(C(=O)C[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587766811 JH Annotated Anodyne Cc1c(C(=O)C[C@@]2(c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587766813 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587767036 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587767040 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587767043 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587767046 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587767099 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587767102 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587767103 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(CCO)CC3)cc2)N1 ZINC000587767105 JH Annotated Clean COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767130 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767133 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767135 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767137 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767139 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767140 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767141 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767142 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587767192 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587767194 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767196 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767198 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767201 JH Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767202 JH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767396 JH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767399 JH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767403 JH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767406 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767626 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767628 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767630 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767632 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767710 JH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767713 JH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767717 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767720 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767723 JH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767726 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767728 JH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767730 JH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767849 JH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767855 JH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767859 JH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767863 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768495 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768497 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768499 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768503 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768508 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768510 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768515 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768518 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587768582 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587768583 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587768586 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587768587 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768609 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768610 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768612 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768613 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587768876 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587768877 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587768878 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587768879 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769074 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769075 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769076 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769077 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769082 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769083 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769084 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769085 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769300 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769302 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769303 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769304 JH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587769312 JH Annotated Clean COc1cc(CN2CCOCC2)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587769316 JH Annotated Clean COc1cc(CN2CCOCC2)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587769318 JH Annotated Clean COc1cc(CN2CCOCC2)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587769320 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587769341 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587769343 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587769345 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587769347 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769397 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769399 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769400 JH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769403 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1COC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587769515 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1COC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587769517 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1COC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587769518 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1COC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587769519 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769566 JH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769567 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769568 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769569 JH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769570 JH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769571 JH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769572 JH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769573 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769814 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769815 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769817 JH Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769818 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587769872 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587769877 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)N1 ZINC000587769882 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587769886 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587770300 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587770303 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587770306 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3c2c(=O)n(C)c2ccccc32)N1 ZINC000587770309 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770661 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770664 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770666 JH Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587770669 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770767 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770768 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770769 JH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770770 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770849 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770850 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770851 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770852 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770853 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770854 JH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770855 JH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770856 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770896 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770899 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770901 JH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770904 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587771162 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587771164 JH Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCOCC1 ZINC000587771242 JH Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCOCC1 ZINC000587771245 JH Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCOCC1 ZINC000587771249 JH Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCOCC1 ZINC000587771253 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587771425 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587771427 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587771428 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587771429 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587771667 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587771669 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587771673 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)N1 ZINC000587771675 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771745 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771746 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771749 JH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771751 JH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCN1CCOCC1 ZINC000587771845 JH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCN1CCOCC1 ZINC000587771846 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCN1CCOCC1 ZINC000587771847 JH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCN1CCOCC1 ZINC000587771848 JH Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCOCC1 ZINC000587771862 JH Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCOCC1 ZINC000587771864 JH Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCOCC1 ZINC000587771865 JH Annotated Clean COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCOCC1 ZINC000587771866 JH Annotated Clean COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCOCC1 ZINC000587771908 JH Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCOCC1 ZINC000587771910 JH Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCOCC1 ZINC000587771911 JH Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCOCC1 ZINC000587771912 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587772153 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587772155 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587772157 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N2CCC(O)CC2)N1 ZINC000587772159 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772242 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772243 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772245 JH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772247 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587772356 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587772359 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587772361 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587772363 JH Annotated Mild CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772641 JH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772642 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772643 JH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772644 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587772801 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587772803 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587772806 JH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587772809 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587772810 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587772812 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587772815 JH Annotated Anodyne CCN1C=C(C(=O)OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587772817 JH Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCOCC1 ZINC000587773001 JH Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCOCC1 ZINC000587773003 JH Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCOCC1 ZINC000587773007 JH Annotated Clean COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCOCC1 ZINC000587773008 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773371 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773372 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773373 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773374 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773378 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773379 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773380 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)N1 ZINC000587773381 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587773797 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587773980 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587773981 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587773982 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587774076 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587774077 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587774078 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCN1CCOCC1 ZINC000587774079 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774081 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774088 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774091 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774093 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587774432 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587774433 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587774434 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCN1CCOCC1 ZINC000587774435 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587774452 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587774453 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587774454 JH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587774455 JH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCN1CCOCC1 ZINC000587774464 JH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCN1CCOCC1 ZINC000587774465 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCN1CCOCC1 ZINC000587774466 JH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCN1CCOCC1 ZINC000587774467 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@]23CCNC3)N1 ZINC000587774820 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@]23CCNC3)N1 ZINC000587774821 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@]23CCNC3)N1 ZINC000587774822 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@]23CCNC3)N1 ZINC000587774823 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587774900 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587774901 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587774902 JH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587774903 JH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587775471 JH Annotated Clean COc1cc(CN2CCOCC2)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587775472 JH Annotated Clean COc1cc(CN2CCOCC2)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587775474 JH Annotated Clean COc1cc(CN2CCOCC2)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587775476 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587776630 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587776632 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587776634 JH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)N1 ZINC000587776637 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@]23CCNC3)N1 ZINC000587776652 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@]23CCNC3)N1 ZINC000587776654 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@]23CCNC3)N1 ZINC000587776655 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@]23CCNC3)N1 ZINC000587776656 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587782511 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587785315 JH Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587785317 JH Annotated Clean COc1ccc(C=O)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587785661 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587786001 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587786150 JH Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587786157 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587786221 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(OC)nc2[nH]1 ZINC000587786828 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587786895 JH Annotated Anodyne COC(=O)c1cc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2cn1 ZINC000587787024 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587787115 JH Annotated Anodyne COc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1O ZINC000587787135 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587787702 JH Annotated Anodyne COC(=O)c1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2n1 ZINC000587788173 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587788236 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC)ncc2[nH]1 ZINC000587788266 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587788269 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cncc(OC)c2[nH]1 ZINC000587788321 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccnc(OC)c2[nH]1 ZINC000587788330 JH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587788332 JH Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587788342 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)N1 ZINC000587788849 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)N1 ZINC000587788852 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)N1 ZINC000587788853 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)N1 ZINC000587788854 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C)OC ZINC000587788915 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(=O)O ZINC000587788923 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(=O)O ZINC000587788924 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C)OC ZINC000587788925 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(=O)O ZINC000587788926 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C)OC ZINC000587788927 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(=O)O ZINC000587788928 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C)OC ZINC000587788929 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587788951 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587788960 JH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587788965 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587788967 JH Annotated Mild COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C)OC ZINC000587789763 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C)OC ZINC000587789766 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C)OC ZINC000587789768 JH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C)OC ZINC000587789770 JH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789974 JH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789978 JH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789980 JH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789982 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587790845 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587790847 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587790850 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587790852 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587790871 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587790872 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587790873 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587790874 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3)N1 ZINC000587791097 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3)N1 ZINC000587791098 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792055 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792061 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792065 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792068 JH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4c(C=O)ccc(OC)c4OC)nc3c2)cc1 ZINC000587792452 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1 ZINC000587792467 JH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793169 JH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793170 JH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793172 JH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793174 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)N1 ZINC000587793600 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)N1 ZINC000587793601 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)N1 ZINC000587793602 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)N1 ZINC000587793603 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793966 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793968 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793971 JH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793973 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3)N1 ZINC000587793984 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3)N1 ZINC000587793991 JH Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587794605 JH Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587794609 JH Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587794611 JH Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587794614 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794928 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794929 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794930 JH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794931 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587794932 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587794933 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587794934 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587794935 JH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(=O)O ZINC000587796940 JH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(=O)O ZINC000587796942 JH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(=O)O ZINC000587796943 JH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(=O)O ZINC000587796944 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587797313 JH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587797316 JH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587797319 JH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C1=C(NC(=O)C1(C)C)c1ccccc12 ZINC000587797322 JH Annotated Mild C[C@H]1C[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587797415 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587797424 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587797426 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587797429 JH Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587799382 JH Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587799383 JH Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587799384 JH Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587799385 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587799872 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587799874 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587799878 JH Annotated Anodyne C[C@H]1C[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000587799880 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801903 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801904 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801905 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801906 JH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802603 JH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802604 JH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802605 JH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802606 JH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802667 JH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802668 JH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802669 JH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802670 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803700 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803701 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803703 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803705 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(OC)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804148 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(OC)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804150 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(OC)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804153 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(OC)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804155 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804561 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804571 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804575 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804578 JH Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804852 JH Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804853 JH Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804854 JH Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804855 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804944 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804945 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804946 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804947 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805217 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805218 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805219 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805220 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805221 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805222 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805224 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805229 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805665 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805666 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805667 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805668 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805687 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805690 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805692 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805695 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805794 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805795 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805797 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805799 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806324 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806325 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806326 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806327 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806568 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806570 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806571 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806572 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806615 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806618 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806619 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806621 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806623 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806625 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806627 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806629 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807098 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807102 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807104 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807106 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807293 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807294 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807295 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807296 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808410 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808412 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808414 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808416 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808603 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808606 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808610 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808613 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(OC)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808808 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(OC)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808810 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(OC)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808813 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(OC)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808816 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808910 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808911 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808912 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808913 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808922 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808923 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808924 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808925 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809184 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809185 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809187 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809188 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809224 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809225 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809227 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809229 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809297 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809300 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809302 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809304 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809347 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809351 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809353 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809354 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809451 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809455 JH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809457 JH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809461 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809492 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809496 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809500 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809503 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809847 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809848 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809849 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809851 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809929 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809931 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809933 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809936 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809937 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809940 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809943 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809945 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810037 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810041 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810043 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810047 JH Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810065 JH Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810072 JH Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810074 JH Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810078 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810336 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810337 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810338 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810339 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810844 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810845 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810846 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810847 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810852 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810853 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810854 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810855 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810967 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810969 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810971 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810973 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811602 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811603 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811605 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811607 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811863 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811867 JH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811871 JH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811874 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812255 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812258 JH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812259 JH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812261 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812271 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812272 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812273 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812274 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812358 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812362 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812364 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812366 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587820858 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587820860 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587820861 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587820862 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587823224 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587823225 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587823226 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(O)c(O)c(O)c2)(c2ccc(O)c(O)c2O)N1 ZINC000587823227 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587824959 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587824960 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587824961 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587824962 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587824987 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587824988 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587824989 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587824990 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587828315 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587828318 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587828320 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587828322 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587829182 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587829185 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587829188 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587829190 JH Annotated Clean CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832453 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832463 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832465 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832466 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587832581 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587832609 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587832612 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587832615 JH Annotated Clean CCOC(=O)COc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587832730 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587832731 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587832732 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587832733 JH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833115 JH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833122 JH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833125 JH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833128 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833452 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833477 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833479 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833482 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587833518 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587833522 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587833524 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587833526 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587833573 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587833574 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587833575 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587833576 JH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834321 JH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834323 JH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834326 JH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834328 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587834605 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587834607 JH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587834610 JH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587834613 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587834775 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587834776 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587834777 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCCC2)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587834778 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587835223 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587835225 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587835227 JH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587835229 JH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835238 JH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835240 JH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835243 JH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835244 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835555 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835556 JH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835557 JH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835558 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835863 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835864 JH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835865 JH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835866 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587835984 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587835987 JH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587835990 JH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587835992 JH Annotated Clean CCOC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836835 JH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836836 JH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836837 JH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836838 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587837411 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587837412 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587837413 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587837414 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587837965 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587837974 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]3C2)cc1 ZINC000587837977 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]3C2)cc1 ZINC000587837979 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838024 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838028 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838029 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838030 JH Annotated Anodyne C=CCNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838070 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838071 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838073 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838074 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)N1 ZINC000587838086 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)N1 ZINC000587838091 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587838327 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587838328 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587838329 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587838330 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587838335 JH Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587838336 JH Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587838337 JH Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587838338 JH Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838613 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838614 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838615 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587838616 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587838721 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587838722 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587838723 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)N1 ZINC000587838724 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587839736 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587839739 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587839741 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587839742 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587839800 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587839802 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587839804 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(S(N)(=O)=O)c2)N1 ZINC000587839805 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587839910 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587839911 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587839913 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587839914 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587840398 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587840400 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587840401 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 ZINC000587840402 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587840404 JH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587840406 JH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840474 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840475 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840476 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840477 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840622 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840623 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840624 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840625 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3cccs3)CC2)N1 ZINC000587840686 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3cccs3)CC2)N1 ZINC000587840687 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587840715 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587840716 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587840717 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 ZINC000587840718 JH Annotated Reactive C=CCNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840874 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840875 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840876 JH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840877 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587840890 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587840891 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587840892 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587840893 JH Annotated Mild Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841056 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]3C2)cc1 ZINC000587841058 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]3C2)cc1 ZINC000587841060 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841062 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587841118 JH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587841119 JH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841128 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841129 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841130 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841131 JH Annotated Reactive Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587841415 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587841416 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587841417 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587841418 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841543 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841544 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841545 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)N1 ZINC000587841547 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C[S@](=O)CC(=O)O ZINC000587841578 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C[S@@](=O)CC(=O)O ZINC000587841579 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C[S@@](=O)CC(=O)O ZINC000587841580 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C[S@](=O)CC(=O)O ZINC000587841581 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587841608 JH Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587841609 JH Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587841610 JH Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 ZINC000587841611 JH Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587841924 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587841926 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587841927 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587841928 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841936 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841937 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841938 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 ZINC000587841940 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)N1 ZINC000587841988 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)N1 ZINC000587841990 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3cccs3)CC2)N1 ZINC000587842001 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(=O)(=O)c3cccs3)CC2)N1 ZINC000587842003 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842600 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842606 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842608 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842611 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587842616 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587842621 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587842622 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587842623 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842652 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842653 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842654 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCCCN(C)C)cc2)N1 ZINC000587842655 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587842696 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587842698 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842898 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842899 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842900 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842901 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C[S@](=O)CC(=O)O ZINC000587842971 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C[S@@](=O)CC(=O)O ZINC000587842972 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C[S@@](=O)CC(=O)O ZINC000587842974 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C[S@](=O)CC(=O)O ZINC000587842976 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587843284 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587843285 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587843286 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587843287 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587843326 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587843327 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N1 ZINC000587843328 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)N1 ZINC000587843329 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587843392 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587843393 JH Annotated Anodyne C=CCNS(=O)(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587843491 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587843494 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587843497 JH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587843498 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587844046 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587844047 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587844048 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587844049 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844163 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844164 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844165 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844166 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587844386 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587844387 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587844388 JH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587844389 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587844454 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587844455 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587844456 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587844457 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587845488 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587845489 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587845490 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587845491 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587845760 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587845762 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587845764 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCS3(=O)=O)cc2)N1 ZINC000587845766 JH Annotated Anodyne CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)O)C1=O ZINC000587845857 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)O)C1=O ZINC000587845858 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)O)C1=O ZINC000587845861 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)O)C1=O ZINC000587845864 JH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846490 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846508 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846509 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587846510 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587846572 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587846575 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587846864 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587846865 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587846866 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587846867 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587846941 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587846942 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587846995 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587846997 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587846999 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCCS3(=O)=O)c2)N1 ZINC000587847001 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587847874 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587847875 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587847876 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)NCCC(=O)O)(c2cccs2)N1 ZINC000587847877 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848224 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848225 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848226 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848228 JH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848289 JH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848293 JH Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848296 JH Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848300 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587848349 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587848351 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587848352 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)s2)(C(O)O)N1 ZINC000587848353 JH Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CS(C)(=O)=O ZINC000587848799 JH Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CS(C)(=O)=O ZINC000587848810 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CS(C)(=O)=O ZINC000587848812 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CS(C)(=O)=O ZINC000587848814 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587849442 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587849443 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587849444 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cncc(Br)c2)N1 ZINC000587849445 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849564 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849565 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849566 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849567 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587849710 JH Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587849711 JH Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587849712 JH Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587849713 JH Annotated Unstable CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849746 JH Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849747 JH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849748 JH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849749 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587849770 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587849771 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587849772 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 ZINC000587849773 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587850108 JH Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587850111 JH Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587850114 JH Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl ZINC000587850116 JH Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850119 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850267 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850269 JH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850271 JH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587850886 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587850887 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587850988 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587850989 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851044 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851045 JH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851046 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851047 JH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851048 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851049 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851050 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851051 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587851073 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587851074 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587851075 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](c2nc3ccccc3[nH]2)S(C)(=O)=O)N1 ZINC000587851076 JH Annotated Anodyne CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587851497 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587851498 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587851499 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587851500 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)O)C1=O ZINC000587851507 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)O)C1=O ZINC000587851509 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)O)C1=O ZINC000587851511 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)O)C1=O ZINC000587851512 JH Annotated Mild CCOc1nc(N2CCOCC2)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851706 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851707 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851708 JH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851709 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851959 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851960 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851961 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2c[nH]c3ccccc23)N1 ZINC000587851962 JH Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CS(C)(=O)=O ZINC000587851965 JH Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CS(C)(=O)=O ZINC000587851966 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CS(C)(=O)=O ZINC000587851967 JH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CS(C)(=O)=O ZINC000587851968 JH Annotated Anodyne CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852310 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852311 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852312 JH Annotated Mild CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852313 JH Annotated Mild Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852318 JH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852319 JH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852320 JH Annotated Reactive Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852321 JH Annotated Reactive Cc1nc(NCCCC(=O)O)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852415 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852418 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852419 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852420 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852425 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852428 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852430 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852431 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587852454 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587852457 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587852458 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587852459 JH Annotated Anodyne Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853107 JH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853108 JH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853109 JH Annotated Reactive Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853111 JH Annotated Reactive Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853149 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853150 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853151 JH Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853152 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587855846 JH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587855849 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587855851 JH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587855854 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857076 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857079 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857082 JH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857086 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857139 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857144 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857148 JH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857151 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858046 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858049 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858051 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587858052 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858053 JH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587858054 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587858057 JH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCSCC3)nc3ccccn3c2=O)N1 ZINC000587858060 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000587858863 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587859336 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587859337 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587859338 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587859341 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN(c2ncccn2)CC1 ZINC000587859453 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000587859770 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000587859772 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCN1C(=O)CN(C)C1=O ZINC000587859779 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000587859838 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC000587859845 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC000587859861 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CS(=O)(=O)Cn1cc(Cl)cn1 ZINC000587860135 JH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000587860559 JH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2cc(Cl)cn2)n1 ZINC000587860671 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2cc(Br)cn2)n1 ZINC000587860976 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(NN)c(Cl)c(N)c1Cl ZINC000587861453 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000587861463 JH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(I)cnn1C ZINC000587861874 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1n[nH]cc1I ZINC000587862180 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)cc1I ZINC000587862458 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000587862701 JH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000587862746 JH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000587863016 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587863166 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000587863225 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000587863279 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000587863342 JH Annotated Anodyne COCCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc(=O)c2c(C)cc(C)nc21 ZINC000587863347 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587863350 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587863351 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc1 ZINC000587863363 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587863469 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000587863644 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000587863689 JH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1c(O)nc2ccccc2c1=O ZINC000587864005 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl ZINC000587864194 JH Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000587864408 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(I)cnn1C ZINC000587864578 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)cc1I ZINC000587864847 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1n[nH]cc1I ZINC000587865087 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1 ZINC000587865771 JH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1 ZINC000587865772 JH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc([N+](=O)[O-])c(OC)n1 ZINC000587865984 JH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CS(=O)(=O)Cn1cc(Cl)cn1 ZINC000587866054 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000587866057 JH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000587866208 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C[S@](=O)Cn1cc(Cl)cn1 ZINC000587866277 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C[S@@](=O)Cn1cc(Cl)cn1 ZINC000587866278 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000587866399 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1cc(Br)cn1 ZINC000587866400 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc(Br)c(C)n1 ZINC000587866409 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000587866775 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCSSCCC(=O)NN ZINC000587866907 JH Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C)c(Br)c1C ZINC000587867069 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(N2CCOCC2)n1 ZINC000587867098 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1c(O)nc2ccccc2c1=O ZINC000587867186 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]nc(Br)c1Br ZINC000587867311 JH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCN1C(=O)CN(C)C1=O ZINC000587867339 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1ncc(Br)c1C ZINC000587867444 JH Annotated Anodyne COc1cc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc(OC)c1OC ZINC000587867718 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000587867876 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000587867877 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587867906 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587867907 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(I)n1 ZINC000587867942 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 ZINC000587868025 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587868170 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587868175 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(I)c[nH]1 ZINC000587868199 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000587868233 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc(C)c1I ZINC000587868275 JH Annotated Anodyne COc1ccc(OCn2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1 ZINC000587868415 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000587868507 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000587868894 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000587868976 JH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000587869094 JH Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)CC2=O)cc1 ZINC000587869099 JH Annotated Anodyne COc1ccc(N2C[C@H](C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)CC2=O)cc1 ZINC000587869100 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2c(c1)NC1=CCCN1C2=O ZINC000587869173 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccn(Cc2ccccc2)c1=O ZINC000587869189 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c([N+](=O)[O-])c1 ZINC000587869196 JH Annotated Bother CCn1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(=O)c2ccc(C)nc21 ZINC000587869277 JH Annotated Anodyne COCCCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc2c1=O ZINC000587869325 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccsc2c(=O)n1CCN1CCCC1 ZINC000587869361 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C(C)C)c(=O)c2ccccc12 ZINC000587869380 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1 ZINC000587869400 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587869446 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)/C=C1/NC(=O)c2c(sc(C)c2C)N1 ZINC000587869538 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)/C=C1\NC(=O)c2c(sc(C)c2C)N1 ZINC000587869540 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000587869603 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000587869605 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869644 JH Annotated Bother CCN(CC)S(=O)(=O)c1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587869662 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000587869727 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 ZINC000587869776 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 ZINC000587869778 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000587869900 JH Annotated Anodyne COc1ccc(CCNC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC ZINC000587869911 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587870039 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587870049 JH Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2ccccc2c1=O ZINC000587870134 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSCC(=O)Nc1ccccc1 ZINC000587870182 JH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 ZINC000587870197 JH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 ZINC000587871058 JH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000587871570 JH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000587871962 JH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC ZINC000587872620 JH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000587872641 JH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccsc2c(=O)n1CCN1CCCC1 ZINC000587872918 JH Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)c(C)c1Br ZINC000587873239 JH Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)c(OCC)c1C#N ZINC000587874543 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C(=O)CBr)c1 ZINC000587874551 JH Annotated Reactive CCOC(=O)c1nn(C(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)c(OCC)c1C#N ZINC000587874558 JH Annotated Mild COc1cc2c(cc1OC)[C@@H](CC(=O)n1nc3cc1oc1ccc(F)cc31)N(S(C)(=O)=O)CC2 ZINC000587874726 JH Annotated Anodyne COc1cc2c(cc1OC)[C@H](CC(=O)n1nc3cc1oc1ccc(F)cc31)N(S(C)(=O)=O)CC2 ZINC000587874727 JH Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)c(OCC)c1C#N ZINC000587874843 JH Annotated Mild O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875178 JH Annotated Bother Nc1cccc(S(=O)(=O)Nc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)c1 ZINC000587875400 JH Annotated Anodyne CCOC(=O)c1nn(C(=O)[C@H](C)Oc2ccc(Br)cc2Cl)c(OCC)c1C#N ZINC000587876187 JH Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)c(OCC)c1C#N ZINC000587876189 JH Annotated Mild O=S(=O)(c1ccc(Cl)c(NC(=S)n2nc3cc2oc2ccc(F)cc32)c1)N1CCOCC1 ZINC000587876372 JH Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccc(COc3ccc(Br)cc3)o2)c(OCC)c1C#N ZINC000587876495 JH Annotated Mild CCOC(=O)c1nn(C(=O)COc2ccc(C(C)C)cc2Br)c(OCC)c1C#N ZINC000587876612 JH Annotated Mild Cc1cc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2C[C@@H]2CCCO2)nn1C ZINC000587876693 JH Annotated Anodyne Cc1cc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2C[C@H]2CCCO2)nn1C ZINC000587876694 JH Annotated Anodyne CCOC(=O)c1[nH]c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C ZINC000587876948 JH Annotated Mild CC(C)(C)OC(=O)N1CCN(CCN2CCC(C(=O)n3nc4cc3oc3ccc(F)cc43)CC2)CC1 ZINC000587877031 JH Annotated Anodyne COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c(O)c1Br ZINC000587877061 JH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(Br)c1C(=O)O ZINC000587877101 JH Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)cc1OC ZINC000587877250 JH Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877256 JH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1[N+](=O)[O-] ZINC000587877284 JH Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1C(=O)O ZINC000587877298 JH Annotated Mild N#CCOc1c(Br)cc(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877311 JH Annotated Mild CNCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC[C@@H]1CCCO1 ZINC000587877338 JH Annotated Mild CNCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC[C@H]1CCCO1 ZINC000587877339 JH Annotated Mild Nc1c(Br)cc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877353 JH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1C(=O)O ZINC000587877380 JH Annotated Mild CCOC(=O)COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)cc1C=O ZINC000587877421 JH Annotated Mild COC(=O)c1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877431 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(Br)c1O ZINC000587877503 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CCO)cc(Br)c1O ZINC000587877504 JH Annotated Mild COC(=O)Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587877620 JH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N ZINC000587877634 JH Annotated Mild COc1cc([N+](=O)[O-])c(NC(C)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877685 JH Annotated Mild COC(=O)c1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877708 JH Annotated Mild Nc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)O ZINC000587877717 JH Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC)c([N+](=O)[O-])c1 ZINC000587877789 JH Annotated Mild Nc1c(Br)cc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877934 JH Annotated Mild O=C(O)Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587877990 JH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c(C=O)c1O ZINC000587878017 JH Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587878079 JH Annotated Mild Cc1cc(OCC(=O)NN)c(C(C)C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878237 JH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(Br)cc1C(=O)O ZINC000587878296 JH Annotated Mild COc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)c1O ZINC000587878360 JH Annotated Mild N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1N1CCC(CO)CC1 ZINC000587878365 JH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2nnc(CCC(=O)O)o2)c1 ZINC000587878608 JH Annotated Mild COC(=O)CCc1ccc(C(=O)OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878640 JH Annotated Mild CCN(CC)CCNC(=O)c1cc(OC)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878744 JH Annotated Mild O=C(O)CCc1nc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000587878984 JH Annotated Mild CCOC(=O)C(Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)OCC ZINC000587879100 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(C(=O)O)c1Br)OCCO2 ZINC000587879317 JH Annotated Mild COC(=O)CC(CC(=O)OC)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879374 JH Annotated Mild CC1(C)OC(=O)C(=CNc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)O1 ZINC000587879385 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cc2c(c1C(=O)O)OCCO2 ZINC000587879474 JH Annotated Mild CCOC(=O)c1nn(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1C#N ZINC000587879623 JH Annotated Mild CC(C)[C@H](NC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879706 JH Annotated Mild CC(C)[C@@H](NC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879707 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1N1CCC(O)CC1 ZINC000587879915 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NC(=O)CCl ZINC000587879957 JH Annotated Reactive CCOC(=O)c1[nH]nc(OCC(C)C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880348 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(OC2CCCCC2)n[nH]c1C(=O)O ZINC000587880522 JH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)N1CCC(=O)CC1 ZINC000587880526 JH Annotated Mild CCCCOc1n[nH]c(C(=O)OCC)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880562 JH Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)N1CCOCC1 ZINC000587880696 JH Annotated Mild COC(=O)C(C)(C)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587880768 JH Annotated Mild O=C(O)CCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587880774 JH Annotated Mild CCOC(=O)CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880841 JH Annotated Mild COC(=O)C(C)(C)N(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880981 JH Annotated Mild COC(=O)[C@@H](N=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881084 JH Annotated Mild COC(=O)[C@H](N=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881085 JH Annotated Mild CC(C)(Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])C(=O)O ZINC000587881179 JH Annotated Mild CC(C)(Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-])C(=O)O ZINC000587881247 JH Annotated Mild COC(=O)C(C)(C)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881282 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1 ZINC000587881284 JH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2cc(C(=O)O)nn2)c(Cl)c1 ZINC000587881308 JH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)CN(C)C(=O)CCl ZINC000587881359 JH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-n2cc(C(=O)O)ccc2=O)c1 ZINC000587881866 JH Annotated Mild CCCc1c(C(=O)O)nnn1Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881992 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCn2ccc(C(=O)O)n2)c1 ZINC000587882011 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCC2(C(=O)O)CCOCC2)c1 ZINC000587882147 JH Annotated Mild CCOC(=O)c1nn(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c(N)c1C#N ZINC000587882212 JH Annotated Mild C=C1NC(=O)c2cnn(-c3cccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3)c2N1 ZINC000587882267 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C2=C[C@H](c3cccnc3)NN2)c1 ZINC000587882458 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C2=C[C@@H](c3cccnc3)NN2)c1 ZINC000587882459 JH Annotated Mild CC12COC(Cc3cccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3)(OC1)OC2 ZINC000587882513 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)c2c[nH]c(C(=O)O)c2)c1 ZINC000587882531 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(N2CCNCC2)c1 ZINC000587882550 JH Annotated Mild C=CN1CC[C@@H](C(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1=O ZINC000587882562 JH Annotated Mild C=CN1CC[C@H](C(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1=O ZINC000587882563 JH Annotated Mild CCOC(=O)C[C@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587882753 JH Annotated Mild CCOC(=O)C[C@@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587882754 JH Annotated Mild CCOC(=O)c1nnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883370 JH Annotated Mild CCOC(=O)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)no1 ZINC000587883648 JH Annotated Mild CCOC(=O)c1nnn(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C ZINC000587883873 JH Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2oc1=O ZINC000587884048 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@H]2CC[C@@H](C(=O)O)NC2)cc1 ZINC000587884080 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(c1ccccn1)=NCC(=O)N2 ZINC000587884234 JH Annotated Mild COC(=O)CN1C(=O)C(C)(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884243 JH Annotated Mild NCCN[C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccccn1 ZINC000587884388 JH Annotated Mild NCCN[C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccccn1 ZINC000587884389 JH Annotated Mild CC(C)[C@H](NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884567 JH Annotated Mild CC(C)[C@@H](NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884568 JH Annotated Mild N#Cc1cc2c(=O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3oc2nc1N ZINC000587884692 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)CC1(CCNCC1)O2 ZINC000587884893 JH Annotated Mild O=C(O)CC/C=C1/NC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2N1 ZINC000587884963 JH Annotated Mild O=C(O)CC/C=C1\NC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2N1 ZINC000587884964 JH Annotated Mild COC(=O)c1ccc(OC)c(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587885080 JH Annotated Mild Cc1c([C@H](C)O)nnn1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885149 JH Annotated Mild O=C(O)CCc1coc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587885152 JH Annotated Mild Cc1c([C@@H](C)O)nnn1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885156 JH Annotated Mild CCOC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000587885196 JH Annotated Mild CCC[C@H](NC(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587885212 JH Annotated Mild CCC[C@@H](NC(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587885213 JH Annotated Mild CCOC(=O)Cn1c(O)cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587885227 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(Cc2cccc(C(=O)O)c2)nc1[N+](=O)[O-] ZINC000587885231 JH Annotated Mild COc1ccc(C=O)cc1Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885270 JH Annotated Mild CC(C)(C)OC(=O)N1CC(n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)C1 ZINC000587885587 JH Annotated Mild CN(CCc1ccccn1)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO ZINC000587885659 JH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N1CCCCC1 ZINC000587885671 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(Cc2ccc(C(=O)O)cc2)nc1[N+](=O)[O-] ZINC000587885861 JH Annotated Mild CCOC(=O)c1nn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c(N)c1C#N ZINC000587885881 JH Annotated Mild CCOc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587885914 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCn2ccc(C(=O)O)n2)cc1 ZINC000587885916 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn([C@H]2CCOC3(CCOCC3)C2)c1 ZINC000587885942 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000587885944 JH Annotated Mild CC1(C)OC(=O)C(=CNc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C(=O)O1 ZINC000587885951 JH Annotated Mild COC(=O)c1cccc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587885999 JH Annotated Mild COc1cc2oc(=O)c(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886014 JH Annotated Mild CN(CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)CCl ZINC000587886035 JH Annotated Reactive CC(=O)Oc1cc2cnn(C(C)=O)c2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886101 JH Annotated Mild CCOC(=O)C(=O)c1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886192 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1NC(=O)CCl)OCCO2 ZINC000587886227 JH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1 ZINC000587886419 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1Br)NC(=O)C2=O ZINC000587886435 JH Annotated Mild COC(=O)c1ccn(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587886498 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000587886733 JH Annotated Mild CCOC(=O)c1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000587886897 JH Annotated Mild CCOC(=O)c1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587887023 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2ncc(C(=O)O)c2C2CC2)nc1 ZINC000587887177 JH Annotated Mild COc1ccc(CNc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887434 JH Annotated Mild COC(=O)c1c(Br)cncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887464 JH Annotated Mild COC(=O)c1cnn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1C1CC1 ZINC000587887589 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Oc2ccc(C(=O)O)cc2)nc1 ZINC000587887635 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(c1)C(=O)C(=O)N2 ZINC000587887864 JH Annotated Mild Nc1c(Br)cc2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)NC(=O)CC2 ZINC000587887865 JH Annotated Mild COC(=O)c1cc(=O)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc(C)c2[nH]1 ZINC000587887884 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(OCCNCCO)ccc2ccccc12 ZINC000587887919 JH Annotated Mild O=CCOc1ccc(C(=O)c2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587887939 JH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc[nH]c2c1Br ZINC000587887982 JH Annotated Mild CCOC(=O)C1CCN(c2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587888005 JH Annotated Mild COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2n1CC#N ZINC000587888032 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c(C(=O)N(CCO)Cc2ccccc2)c1 ZINC000587888088 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c2c1C(=O)C(=O)N2 ZINC000587888099 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2c1NC(=O)C2=O ZINC000587888117 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(cnn2Cc2cccnc2)c1 ZINC000587888175 JH Annotated Mild CCOC(=O)c1cnc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnn2c1Cl ZINC000587888196 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c2c1NC(=O)C2=O ZINC000587888410 JH Annotated Mild CCOC(COc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)OCC ZINC000587888425 JH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)[nH]c2c1OC ZINC000587888446 JH Annotated Mild CCOC(=O)c1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2c1=O ZINC000587888478 JH Annotated Mild CCCn1nnc2cc(C(=O)OC)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888670 JH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c(c1Br)NC(=O)CC2 ZINC000587888739 JH Annotated Mild COC(=O)C[C@H]1CC(=O)Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888799 JH Annotated Mild COC(=O)C[C@@H]1CC(=O)Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888800 JH Annotated Mild COC(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc3c(c2[nH]1)OCO3 ZINC000587889104 JH Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2nc1O ZINC000587889156 JH Annotated Mild COC(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OC)c(OC)c2[nH]1 ZINC000587889243 JH Annotated Mild COC(=O)c1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587889316 JH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587889333 JH Annotated Mild CC(C)(C)C(=O)Nc1cc(C(=O)O)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889499 JH Annotated Mild CC(C)(C)OC(=O)N1CCn2cnc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1 ZINC000587889594 JH Annotated Mild COC(=O)c1cnc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889599 JH Annotated Mild COC(=O)c1cc(Br)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889639 JH Annotated Mild CC(C)(C)C(=O)N1CCOc2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587889683 JH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ncc1Br ZINC000587889793 JH Annotated Mild COc1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1Br ZINC000587889924 JH Annotated Mild CCOC(=O)c1nc(Br)oc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889931 JH Annotated Mild COc1cc([N+](=O)[O-])c(Br)nc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889937 JH Annotated Mild COC(=O)c1nc(Br)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889971 JH Annotated Mild COC(=O)c1ccc2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Br)n2c1 ZINC000587890315 JH Annotated Mild CON(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)o1 ZINC000587890366 JH Annotated Mild CC(C)(C)OC(=O)N1CCn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2C1 ZINC000587890448 JH Annotated Mild CON(C)C(=O)c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890549 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)n(-c2ncccc2Cl)n1 ZINC000587890560 JH Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ncc(Br)n2c1 ZINC000587890626 JH Annotated Mild COC(=O)c1ccc2nc(Br)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2c1 ZINC000587890753 JH Annotated Mild CC(C)(C)OC(=O)/C(C#N)=C1\C=CC(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1 ZINC000587890754 JH Annotated Reactive CC(C)(C)OC(=O)/C(C#N)=C1/C=CC(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1 ZINC000587890760 JH Annotated Reactive N#Cc1cc(Br)c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2c1 ZINC000587890816 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2nc(C(=O)O)cn2c1 ZINC000587890908 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(=O)n(Cc2ccccc2)c1 ZINC000587890912 JH Annotated Mild COC(=O)c1cn2cc(Cl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891084 JH Annotated Mild CC(C)(C)OC(=O)N1CCC2(C=C(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)NO2)CC1 ZINC000587891152 JH Annotated Mild Cc1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(Br)c2n1 ZINC000587891163 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@@H](O)C(=O)O)cc(C(F)(F)F)c1 ZINC000587891502 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@H](O)C(=O)O)cc(C(F)(F)F)c1 ZINC000587891503 JH Annotated Mild CS(=O)(=O)c1cc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891975 JH Annotated Mild CN(C)S(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891998 JH Annotated Mild CS(=O)(=O)c1cc(N)c(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892021 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(=O)oc(O)nc2cc1C(F)(F)F ZINC000587892026 JH Annotated Mild Nc1c(C(=O)O)cc(Br)c(F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892036 JH Annotated Mild C=C1C=C(C(F)(F)F)n2nc(C(=O)O)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2N1 ZINC000587892109 JH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)cc1C(=O)O ZINC000587892143 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000587892386 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCNC(=O)C(F)(F)F)cc1 ZINC000587892800 JH Annotated Mild COC(=O)c1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 ZINC000587892803 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])cc1F ZINC000587892810 JH Annotated Unstable COC(=O)c1cc(Br)c(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587892834 JH Annotated Mild COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587892841 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Cl ZINC000587892953 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F ZINC000587892963 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)C(=O)O)c(C(F)(F)F)c1 ZINC000587892986 JH Annotated Mild COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893069 JH Annotated Unstable CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893235 JH Annotated Mild CCOC(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587893406 JH Annotated Mild COC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894063 JH Annotated Unstable O=C(O)C[C@@H]1CCCN1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c1 ZINC000587894074 JH Annotated Mild O=C(O)C[C@H]1CCCN1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c1 ZINC000587894075 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@H]2NCCc3nc[nH]c32)ccc1F ZINC000587894231 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@@H]2NCCc3nc[nH]c32)ccc1F ZINC000587894235 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2NCCc3nc[nH]c32)c(F)c1 ZINC000587894484 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2NCCc3nc[nH]c32)c(F)c1 ZINC000587894485 JH Annotated Mild C=C(NNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F)C(=O)OCC ZINC000587894555 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c([C@H]2NCCc3nc[nH]c32)c1 ZINC000587894571 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c([C@@H]2NCCc3nc[nH]c32)c1 ZINC000587894572 JH Annotated Mild Nc1ccc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587894859 JH Annotated Mild CCN(CC)S(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587894890 JH Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(I)c1 ZINC000587894907 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] ZINC000587894932 JH Annotated Unstable N#Cc1cc(I)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587894952 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)NC(=O)CC2 ZINC000587894959 JH Annotated Unstable N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(I)c1N ZINC000587894967 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)cc1CO ZINC000587894985 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl ZINC000587895032 JH Annotated Unstable Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1S(=O)(=O)Cl ZINC000587895115 JH Annotated Unstable CS(=O)(=O)c1sc(N)nc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895129 JH Annotated Mild Cc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1S(=O)(=O)Cl ZINC000587895229 JH Annotated Unstable Nc1ccc(I)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895242 JH Annotated Mild C[C@H](SCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587895256 JH Annotated Mild C[C@@H](SCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587895264 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc2[nH]cc(S(=O)(=O)Cl)c12 ZINC000587895266 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c2ncc(I)c-2n1 ZINC000587895278 JH Annotated Mild CCOC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 ZINC000587895286 JH Annotated Unstable CS(=O)(=O)CCSc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587895298 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(S(=O)(=O)O)sc2c1 ZINC000587895327 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CO)ccc1I ZINC000587895333 JH Annotated Mild COc1cc(I)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895360 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1S(=O)(=O)NCc1ccco1 ZINC000587895365 JH Annotated Mild CC(C)(C)NS(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895436 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)c2nccn2c1 ZINC000587895461 JH Annotated Mild CCn1c(S)nnc1CCn1nc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587895491 JH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CS(=O)(=O)Cl)c1 ZINC000587895524 JH Annotated Unstable COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1I ZINC000587895546 JH Annotated Mild COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl ZINC000587895553 JH Annotated Unstable Nc1ncc(I)c2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587895569 JH Annotated Mild CCOC(=O)NC(=S)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587895570 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(I)n2c1 ZINC000587895593 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Cl)c1 ZINC000587895595 JH Annotated Unstable COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1I ZINC000587895648 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1Cl ZINC000587895736 JH Annotated Unstable Nc1cc(I)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895815 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncc([N+](=O)[O-])cc1I ZINC000587895825 JH Annotated Mild CCOC(=O)c1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895858 JH Annotated Unstable CCOC(=O)c1c[nH]c2c(F)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587895915 JH Annotated Mild Cn1c(S)nnc1COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895929 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(I)cccc1CO ZINC000587896001 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 ZINC000587896070 JH Annotated Unstable Cc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl ZINC000587896084 JH Annotated Unstable O=C(O)CCSCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896114 JH Annotated Mild CC(C)(C)NS(=O)(=O)c1sccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896129 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-] ZINC000587896141 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2sc(S(=O)(=O)O)nc2c1 ZINC000587896156 JH Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896188 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(S(=O)(=O)c2ccccc2)c2ncncc12 ZINC000587896207 JH Annotated Mild CN(CC1CC1)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896216 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl ZINC000587896269 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(S(=O)(=O)Cl)cc1[N+](=O)[O-] ZINC000587896296 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)c(C(=O)O)cc1S(=O)(=O)Cl ZINC000587896439 JH Annotated Unstable Cn1c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c2nnc(S)nc21 ZINC000587896473 JH Annotated Mild Nc1ccc(S(=O)(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000587896498 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1 ZINC000587896502 JH Annotated Unstable Nc1ccc([S@@](=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000587896519 JH Annotated Mild Nc1ccc([S@](=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000587896520 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(S(=O)(=O)Cl)c1)OCC2 ZINC000587896608 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2[nH]c(O)cc2cc1S(=O)(=O)Cl ZINC000587896619 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)OCCCO2 ZINC000587896652 JH Annotated Unstable CC(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896678 JH Annotated Unstable NS(=O)(=O)c1c(Cl)cc(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896689 JH Annotated Mild C[C@H](SCC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587896719 JH Annotated Mild C[C@@H](SCC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587896721 JH Annotated Mild CC(C)(C)NS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587896732 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Cl)c(S(=O)(=O)Cl)c1 ZINC000587896759 JH Annotated Unstable CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 ZINC000587896820 JH Annotated Unstable Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)cc1C(=O)O ZINC000587896861 JH Annotated Unstable CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 ZINC000587896869 JH Annotated Unstable CCN(CC)S(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896890 JH Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl ZINC000587896897 JH Annotated Unstable CC(=O)c1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896903 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(Cl)c(S(=O)(=O)Cl)n2c1 ZINC000587896904 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)NCCCCl)c1 ZINC000587896950 JH Annotated Reactive Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)cc1[N+](=O)[O-] ZINC000587896977 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)cnc1Cl ZINC000587896987 JH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(Br)c(C(=O)O)c1C(=O)O ZINC000587897004 JH Annotated Mild Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897033 JH Annotated Unstable Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1S(=O)(=O)Cl ZINC000587897052 JH Annotated Unstable CC(C)(C)NS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897087 JH Annotated Mild CCCCNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897095 JH Annotated Mild CSCC[C@H](NC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587897103 JH Annotated Mild CSCC[C@@H](NC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587897104 JH Annotated Mild COC(=O)CCC[S@](=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897139 JH Annotated Mild COC(=O)CCC[S@@](=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897143 JH Annotated Mild CCOC(=O)NC(=S)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897183 JH Annotated Mild O=C(O)CCC[S@@](=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897198 JH Annotated Mild O=C(O)CCC[S@](=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897199 JH Annotated Mild CCOC(=O)c1sc(N)c(C#N)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897220 JH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1CCCS1(=O)=O ZINC000587897247 JH Annotated Mild CCCNS(=O)(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897292 JH Annotated Mild CCS(=O)(=O)N[C@@H](C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897347 JH Annotated Mild CCS(=O)(=O)N[C@H](C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897348 JH Annotated Mild CC1(C)NC(=O)N(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)C1=O ZINC000587897411 JH Annotated Mild CC(C)(C)OC(=O)Nc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)s1 ZINC000587897631 JH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2csc(CNCCO)n2)c1 ZINC000587897697 JH Annotated Mild O=C(O)CCc1nc(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)no1 ZINC000587897707 JH Annotated Mild Nc1nc(C(=O)O)c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587897856 JH Annotated Mild Nc1nc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c(C(=O)O)s1 ZINC000587897907 JH Annotated Mild O=CC1=C(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)N2CCN=C2S1 ZINC000587898018 JH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(N3CCNCC3)sc2c1 ZINC000587898696 JH Annotated Mild CCNc1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(C(=O)O)cc2s1 ZINC000587898912 JH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c([N+](=O)[O-])c2c(c1C(=O)O)OCCO2 ZINC000587902568 JH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(C(=O)O)c2c(c1[N+](=O)[O-])OCCO2 ZINC000587902627 JH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C(=O)C(=O)N3CCN(c4ncccn4)CC3)c2c1 ZINC000587907261 JH Annotated Mild CCOC(=O)C1=C(N)Oc2ccc(C#Cc3cc(Cl)ccc3OC)cc2[C@@H]1[C@@H](C#N)C(=O)OCC ZINC000587909547 JH Annotated Mild CCOC(=O)C1=C(N)Oc2ccc(C#Cc3cc(Cl)ccc3OC)cc2[C@H]1[C@@H](C#N)C(=O)OCC ZINC000587909548 JH Annotated Mild CCOC(=O)C1=C(N)Oc2ccc(C#Cc3cc(Cl)ccc3OC)cc2[C@@H]1[C@H](C#N)C(=O)OCC ZINC000587909549 JH Annotated Mild CCOC(=O)C1=C(N)Oc2ccc(C#Cc3cc(Cl)ccc3OC)cc2[C@H]1[C@H](C#N)C(=O)OCC ZINC000587909550 JH Annotated Mild CCOC(=O)c1nc2n(c1C#Cc1cc(Cl)ccc1OC)CCN(C(=O)OC(C)(C)C)C2 ZINC000587912204 JH Annotated Mild CCOC(CNC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(Br)[nH]1)OCC ZINC000587912230 JH Annotated Mild CCOC(CNC(=O)c1cc(Br)c(C#Cc2cc(Cl)ccc2OC)[nH]1)OCC ZINC000587912288 JH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(CCNC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587913070 JH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2[C@@H]([C@H]3C=C[C@@]2(Br)C32OCCO2)C12OCCO2 ZINC000587913216 JH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H]2[C@H]([C@H]3C=C[C@@]2(Br)C32OCCO2)C12OCCO2 ZINC000587913217 JH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H]2[C@@H]([C@H]3C=C[C@@]2(Br)C32OCCO2)C12OCCO2 ZINC000587913218 JH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2[C@H]([C@H]3C=C[C@@]2(Br)C32OCCO2)C12OCCO2 ZINC000587913219 JH Annotated Mild CCN(c1ccc(-c2csc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923025 JH Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccccc3S(=O)(=O)N(C)C)n2)cc1)S(C)(=O)=O ZINC000587923505 JH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587925100 JH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(O)c2)cc1OC ZINC000587927049 JH Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(CC(=O)O)c1O ZINC000587934896 JH Annotated Mild CCOC(=O)c1cc(OCC)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1OCC ZINC000587935045 JH Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OC)c(CC(=O)O)c(CC(=O)O)c1OC ZINC000587935247 JH Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935330 JH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935443 JH Annotated Mild COC(=O)c1cc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(Cl)cc1Br ZINC000587935608 JH Annotated Bother CCOc1cc(C(C)=O)c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936000 JH Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)ccc2c1 ZINC000587936153 JH Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(CCC(=O)O)c1O ZINC000587936473 JH Annotated Mild CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cccc(Br)c2N)c1OCC ZINC000587936519 JH Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc([C@H](CC(=O)O)C(=O)OC)c1OC ZINC000587936694 JH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936975 JH Annotated Bother CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2c(N)cccc2Br)c1OCC ZINC000587937275 JH Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2c(N)cccc2Br)c1OCC ZINC000587937648 JH Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cccc(Br)c2N)c1OCC ZINC000587937652 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cccc(Br)c2N)c1OCC ZINC000587937706 JH Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587937737 JH Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587937738 JH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2c(N)cccc2Br)c1OCC ZINC000587937759 JH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(Br)cnc1Br ZINC000587939011 JH Annotated Bother CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccnc(Br)c2)c1OCC ZINC000587939015 JH Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2nn(-c3ncccn3)cc2Br)cc1 ZINC000587939138 JH Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccnc(Br)c2)c1OCC ZINC000587939212 JH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939672 JH Annotated Bother Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939709 JH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587939713 JH Annotated Bother Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587939717 JH Annotated Bother COc1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1Br ZINC000587939957 JH Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2ccnc(Br)c2)c1OCC ZINC000587941540 JH Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587942889 JH Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OC ZINC000587943460 JH Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)n1 ZINC000587944118 JH Annotated Bother COC(=O)C(C(=O)OC)c1cc(OC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OC ZINC000587944841 JH Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OC ZINC000587944844 JH Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OCC ZINC000587945038 JH Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000587945449 JH Annotated Bother COC(=O)Cc1c(C(=O)OC)c(OC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OC ZINC000587945956 JH Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OC ZINC000587945957 JH Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OC ZINC000587946393 JH Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946410 JH Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1OCC ZINC000587946483 JH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946697 JH Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587952673 JH Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587952830 JH Annotated Anodyne COc1nccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c12 ZINC000587953118 JH Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccnc3[nH]2)cc1 ZINC000587953233 JH Annotated Anodyne COc1cncc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c12 ZINC000587953330 JH Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587953438 JH Annotated Anodyne COc1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2n1 ZINC000587953522 JH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C#Cc3ccccc3)nc1-2 ZINC000587953610 JH Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000587953776 JH Annotated Anodyne COc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cn1 ZINC000587953814 JH Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000587953855 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C#Cc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587953881 JH Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(CO)cc3[nH]2)cc1 ZINC000587953995 JH Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cnccc3[nH]2)cc1 ZINC000587954045 JH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587954944 JH Annotated Anodyne C=CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587955441 JH Annotated Mild C[C@@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587962368 JH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587962369 JH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587962370 JH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587962371 JH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587963534 JH Annotated Anodyne C[C@H](CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)CC(=O)O ZINC000587963547 JH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5C=C[C@@H]4C5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587967029 JH Annotated Anodyne COc1cc(CCN(C)C)c2c(c1O)Sc1c(CCN(C)C)cc(OC)c(O)c1S2 ZINC000059031595 JH Annotated Anodyne COc1cc(CCN(C)C)c2c(c1O)Sc1c(O)c(OC)cc(CCN(C)C)c1S2 ZINC000059031597 JH Annotated Anodyne COc1cc2nncc(-c3cnc(N4CCC(O)(c5ccccn5)CC4)c(C)c3)c2cc1OC ZINC000059050127 JH Annotated Anodyne CN(CCCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059050420 JH Annotated Anodyne CN(CCCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059050422 JH Annotated Anodyne CN(CCCC(=O)NCCF)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059050433 JH Annotated Anodyne CC(=O)O[C@H]1O[C@H]2[C@H](O)[C@@H]1[C@@H](C=O)[C@]1(COC(=O)CC(C)C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]21 ZINC000059110249 JH Annotated Mild Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(C)(=O)=O)n2Cc1cc([N+](=O)[O-])ccc1F ZINC000059149935 JH Annotated Mild C[C@@H]([C@@H]1CS[C@H]([C@@H]2CSC(c3ccccc3O)=N2)N1)C(C)(C)C1=N[C@@](C)(C(=O)O)CS1 ZINC000059206754 JH Annotated Anodyne in-vitro C[C@H]([C@@H]1CS[C@H]([C@@H]2CSC(c3ccccc3O)=N2)N1)C(C)(C)C1=N[C@@](C)(C(=O)O)CS1 ZINC000059206755 JH Annotated Anodyne in-vitro C[C@@H]([C@H]1CS[C@H]([C@@H]2CSC(c3ccccc3O)=N2)N1)C(C)(C)C1=N[C@@](C)(C(=O)O)CS1 ZINC000059206756 JH Annotated Anodyne in-vitro C[C@H]([C@H]1CS[C@H]([C@@H]2CSC(c3ccccc3O)=N2)N1)C(C)(C)C1=N[C@@](C)(C(=O)O)CS1 ZINC000059206757 JH Annotated Anodyne in-vitro CCCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H](C(=O)OC)[C@H]3C(=O)OC[C@]132 ZINC000059304205 JH Annotated Anodyne Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000059545792 JH Annotated Anodyne Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000059545793 JH Annotated Anodyne C[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(CO)=C\[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]2[C@H]1O)C3(C)C ZINC000059779260 JH Annotated Mild O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@H]1c3ccccc3N(OOSc3ccccc3)[C@H]12 ZINC000059796336 JH Annotated Reactive Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CNCCN(C)C)c2)c1 ZINC000059813900 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CNCCCO)c2)c1 ZINC000059814098 JH Annotated Anodyne CCOC(=O)c1c(CS(=O)(=O)c2cccc(OC)c2)n(C)c2ccc(O)c(CN3CCCC3)c12 ZINC000059870429 JH Annotated Clean NNC(=O)[C@]1(NC(=O)c2ccccc2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000006003603 JH Annotated Reactive NNC(=O)[C@]1(NC(=O)c2ccccc2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000006003605 JH Annotated Reactive NNC(=O)[C@@]1(NC(=O)c2ccccc2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000006003608 JH Annotated Reactive NNC(=O)[C@@]1(NC(=O)c2ccccc2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000006003612 JH Annotated Reactive COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(C[C@@H]2N=C(OC)[C@@H](C(C)C)N=C2OC)s1 ZINC000006005263 JH Annotated Anodyne CC1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009776 JH 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)CCC(=O)[C@@]1(C)[C@@H]23 ZINC000006010086 JH Annotated Anodyne CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(I)cc3)c3ccccc23)C1 ZINC000006013361 JH Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)/N=C(\O)N2c3ccccc3CCc3ccccc32)s1 ZINC000006017982 JH Annotated Mild C=CCOC(=O)CC[C@H](NC(=O)[C@@H](CCC(F)(F)F)Cc1ccc(O)cc1)C(=O)OCC=C ZINC000006019733 JH Annotated Mild CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccco2)N=C1c1ccccc1 ZINC000006040778 JH Annotated Anodyne Cc1c(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006041157 JH Annotated Anodyne NS(=O)(=O)c1ccc(CC/N=C(\O)c2ccc3c(c2)nc(S)n2c4ccccc4nc32)cc1 ZINC000006079760 JH Annotated Mild Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc4c(c3)OCCO4)c2)c(C)c1 ZINC000006093138 JH Annotated Reactive CCOC(=O)C1=C(O)/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)N=C1C ZINC000006122480 JH Annotated Anodyne CNc1nc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000006136072 JH Annotated Mild COc1cccc(C=Nn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)c1OC ZINC000006144808 JH Annotated Anodyne aggregator N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 ZINC000006147350 JH Annotated Reactive CCN(CC)CCCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCCCN(C)C ZINC000006162579 JH Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/Cc4ccccn4)c(=O)c3c2)cc1C ZINC000006181272 JH Annotated Mild Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCCC3)c(=O)c2c1 ZINC000006181313 JH Annotated Anodyne CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1 ZINC000006181352 JH Annotated Anodyne Cc1ccc(-n2c(=O)/c(=C/c3ccncc3)s/c2=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 ZINC000006184486 JH Annotated Mild Cc1ccc(-n2c(=O)/c(=C\c3ccncc3)s/c2=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 ZINC000006184495 JH Annotated Mild CCN(CC)CCCNC(=S)N(CCN(CC)CC)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000006193088 JH Annotated Anodyne CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NCCCN(CC)CC)cc2c1 ZINC000006197727 JH Annotated Anodyne Cc1ccc(S(=O)(=O)c2cc(C)cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)c2C)cc1 ZINC000006198778 JH Annotated Anodyne CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1 ZINC000006296511 JH Annotated Anodyne CCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCC(C)CC3)c(=O)c2c1 ZINC000006296650 JH Annotated Anodyne Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C)CC4)c(=O)c3c2)c1 ZINC000006296697 JH Annotated Anodyne COc1cc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@H](C)C3)cc(OC)c1 ZINC000006328176 JH Annotated Anodyne COc1cc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@@H](C)C3)cc(OC)c1 ZINC000006328177 JH Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccc(OC)cc3)CC2=O)CC1 ZINC000006499015 JH Annotated Mild Cc1ccc(S(=O)(=O)N=[S@@](C)(=O)c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 ZINC000060168534 JH Annotated Bother CCOc1cc(/C=N\NC2=NC(=O)[C@H](CC(=O)O)S2)ccc1OCc1ccccc1Cl ZINC000060210811 JH Annotated Mild CCOc1cc(/C=N\NC2=NC(=O)[C@@H](CC(=O)O)S2)ccc1OCc1ccccc1Cl ZINC000060210812 JH Annotated Mild CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(O)c(-c4ccccn4)c3)nn2)c1 ZINC000060386928 JH Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(O)c(-c4cccnc4)c3)nn2)c1 ZINC000060388751 JH Annotated Anodyne COc1cc(/C=N\Nc2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC ZINC000061695514 JH Annotated Mild O=C(NCCc1cccs1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000061695564 JH Annotated Bother O=C(NCCc1cccs1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000061695565 JH Annotated Bother Cc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1 ZINC000061695568 JH Annotated Bother Cc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1 ZINC000061695569 JH Annotated Bother CCOC(=O)C1=C(c2ccccc2)c2ccccc2N(S(=O)(=O)C(F)(F)F)[C@H]1C(=O)OCC ZINC000061701380 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)c(OC)c1)N[C@@]2(CC(C)C)C(=O)OC ZINC000061704716 JH Annotated Anodyne O=C1CC[C@@H](C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)N1 ZINC000061854992 JH Annotated Anodyne O=C1CC[C@@H](C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)N1 ZINC000061854993 JH Annotated Anodyne O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000061887247 JH Annotated Reactive CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C=O)CCC(C)C ZINC000061895714 JH Annotated Anodyne CCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn12 ZINC000061895844 JH Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(C)Cc1ccc(N(C)C)cc1 ZINC000061895905 JH Annotated Clean COc1cc(-c2cnc3c(NC=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)cc(OC)c1OC ZINC000061895962 JH Annotated Anodyne COc1cc(Cn2c3ccc(NC(=O)NCc4ccc(F)cc4)cc3c(=O)n2C)ccc1F ZINC000061896096 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061897013 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061897014 JH Annotated Anodyne COc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)cc(OC)c1OC ZINC000061897518 JH Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(C)Cc1cccs1 ZINC000061897600 JH Annotated Anodyne COc1ccc(-c2cnc3c(NC=O)cc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1OC ZINC000061898577 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061902928 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061902929 JH Annotated Anodyne Cc1nc2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(C)C(=O)CCc1ccccc1 ZINC000061902943 JH Annotated Anodyne O=C(Nc1ccc2nc([C@H]3C[C@H](O)[C@@H](CO)O3)[nH]c2c1)NC(c1ccccc1)c1ccccc1 ZINC000061903256 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061903352 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061903353 JH Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@@H](N)Cc3ccc(OC)cc3)cs2)nc1C(F)(F)F ZINC000061903441 JH Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@H](N)Cc3ccc(OC)cc3)cs2)nc1C(F)(F)F ZINC000061903442 JH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061903494 JH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061903495 JH Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)nc1 ZINC000061903752 JH Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)nc1 ZINC000061903753 JH Annotated Mild COc1ccc(NC(=O)Cn2nnc(-c3ccccc3)c2COc2ccc(C(C)=O)cc2)cn1 ZINC000061903769 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061905314 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061905315 JH Annotated Anodyne COc1ccc(CN2CC[C@]2(C)C(=O)Nc2cccc(NS(C)(=O)=O)c2)c2ccccc12 ZINC000061905726 JH Annotated Anodyne COc1ccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(NS(C)(=O)=O)c2)c2ccccc12 ZINC000061905727 JH Annotated Anodyne COc1ccc(-c2cnc3c(NC=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)cc1OC ZINC000061906439 JH Annotated Anodyne O=C(Nc1cccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc12)NC(c1ccccc1)c1ccccc1 ZINC000061906524 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061906588 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061906589 JH Annotated Anodyne CN(C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cc(F)c(F)c(F)c4)cn23)c1 ZINC000061906780 JH Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@H](N)COCc3ccccc3)cs2)nc1C(F)(F)F ZINC000061907241 JH Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)nc1C(F)(F)F ZINC000061907242 JH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061907300 JH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061907301 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061907306 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061907307 JH Annotated Anodyne COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)o1 ZINC000061907353 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061907379 JH Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061907380 JH Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061907718 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061907719 JH Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061907766 JH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061907858 JH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061907859 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061908082 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061908084 JH Annotated Anodyne NS(=O)(=O)c1ccc(CCNc2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3s2)cc1 ZINC000061908307 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000061908631 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000061908632 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000061908717 JH Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000061908718 JH Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061908897 JH Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000061908945 JH Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000061908946 JH Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C)C)=C1C ZINC000061920985 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C)C)=C1C ZINC000061920986 JH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920995 JH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920996 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NC2CCCC2)C1 ZINC000061921011 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NC2CCCC2)C1 ZINC000061921012 JH Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3nccs3)[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000061921152 JH Annotated Anodyne Cc1ncoc1C(=O)NCC1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2Cc1ccco1 ZINC000061921158 JH Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3ccncc3)[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000061921164 JH Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3cccnc3)[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000061921169 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(CC2CCCCC2)C1=O ZINC000061921187 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(C)cc2)C1=O ZINC000061921192 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccccc2)C1=O ZINC000061921193 JH Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(CC2CCCCC2)C1=O ZINC000061921195 JH Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccco4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000061921223 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061921229 JH Annotated Anodyne CC(C)CCN1CCC[C@]2(N[C@H](c3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000061921250 JH Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccc(F)cc2)C1=O ZINC000061921252 JH Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccccc2)C1=O ZINC000061921255 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061921528 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061921531 JH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921669 JH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921670 JH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061921879 JH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061921880 JH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000061921888 JH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000061921889 JH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921931 JH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921932 JH Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061922040 JH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2[nH]cnc2C(=O)Nc2ccccc2F)cc1 ZINC000061922197 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000061922785 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000061922786 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000061922796 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000061922824 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061922931 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061922932 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061922981 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061922983 JH Annotated Anodyne O=C(OCc1cn([C@@H]2CN(C(=O)c3cccs3)[C@@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923080 JH Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccccc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923123 JH Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923182 JH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000061923477 JH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000061923479 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061923507 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061923511 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCCCN(C)C)C1 ZINC000061923527 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCCCN(C)C)C1 ZINC000061923530 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061923561 JH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061923562 JH Annotated Anodyne O=C(OCc1cn([C@H]2CN(C(=O)c3cccs3)[C@@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923919 JH Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4ccccc4)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1cccnc1 ZINC000061923994 JH Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccc(F)cc1 ZINC000061924212 JH Annotated Anodyne COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000061924215 JH Annotated Anodyne COc1cccc(C(=O)N2[C@H](C(C)C)COc3cc(Br)ccc3S2(=O)=O)c1 ZINC000061924266 JH Annotated Anodyne COc1cccc(C(=O)N2[C@@H](C(C)C)COc3cc(Br)ccc3S2(=O)=O)c1 ZINC000061924269 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccccc1 ZINC000061925174 JH Annotated Bother COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3S(=O)(=O)c3c(C)noc3C)on2)c(C)c1 ZINC000061925588 JH Annotated Anodyne COc1ccc(NC(=O)c2cc([C@H]3CCCCN3S(=O)(=O)c3c(C)noc3C)on2)c(C)c1 ZINC000061925589 JH Annotated Anodyne Cc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc(C)c1O ZINC000061925788 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061925882 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061925883 JH Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061926154 JH Annotated Anodyne Cc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@@H]3CCCO3)n[nH]2)cc1NS(C)(=O)=O ZINC000061926291 JH Annotated Anodyne Cc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@H]3CCCO3)n[nH]2)cc1NS(C)(=O)=O ZINC000061926292 JH Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C)Cc1nccn1C ZINC000061926363 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061926464 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061926465 JH Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(CC)C(=O)NCCc1ccccc1 ZINC000061926636 JH Annotated Anodyne Cc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc(=O)n1Cc1ccccc1C(F)(F)F ZINC000061926738 JH Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1OC ZINC000061926774 JH Annotated Anodyne COc1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1OC ZINC000061926775 JH Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061927091 JH Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061927169 JH Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)cc1 ZINC000061927671 JH Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)cc1 ZINC000061927672 JH Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061927674 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1 ZINC000061927756 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1 ZINC000061927758 JH Annotated Anodyne C[C@]1(/C(O)=N/c2cccc(NS(C)(=O)=O)c2)Cc2c(-c3cccc(C(=N)O)c3)ccnc2O1 ZINC000061928267 JH Annotated Mild C[C@@]1(/C(O)=N/c2cccc(NS(C)(=O)=O)c2)Cc2c(-c3cccc(C(=N)O)c3)ccnc2O1 ZINC000061928269 JH Annotated Mild CC(=O)Nc1ccc(CN(C)c2c(C)nc3ccc(C(=O)NCCc4ccccn4)cn23)cc1 ZINC000061929307 JH Annotated Anodyne CS(=O)(=O)Nc1cccc(/N=C(\O)[C@@H]2Cc3c(-c4cccc(C(=N)O)c4)ccnc3O2)c1 ZINC000061929377 JH Annotated Mild CS(=O)(=O)Nc1cccc(/N=C(\O)[C@H]2Cc3c(-c4cccc(C(=N)O)c4)ccnc3O2)c1 ZINC000061929379 JH Annotated Mild CCc1nc2ccc(C(=O)NCCNC(C)=O)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061929495 JH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061929956 JH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061929958 JH Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000061930258 JH Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000061930259 JH Annotated Anodyne O=C(Cn1cc(COc2c(F)c(F)c(Br)c(F)c2F)nn1)c1ccc(O)cc1 ZINC000061931036 JH Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(C)C)COc3cc(Br)ccc3S2(=O)=O)cc1 ZINC000061931078 JH Annotated Anodyne COc1ccccc1C(=O)N1[C@@H](C(C)C)COc2cc(Br)ccc2S1(=O)=O ZINC000061931082 JH Annotated Anodyne O=S(=O)(c1c(F)cccc1F)N(CCc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000061931184 JH Annotated Anodyne C[C@@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1[C@@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061931351 JH Annotated Anodyne C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061931353 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(Br)c1 ZINC000061942623 JH Annotated Anodyne COc1ccc(C2=CC(=O)C[C@H](CN3C(=O)c4ccccc4C3=O)N(C(=O)OC(C)(C)C)O2)cc1 ZINC000061942680 JH Annotated Mild COC(=O)[C@H](Cc1ccccc1)N1C/C=C\COc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000061943361 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000061944944 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000061944945 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2ccco2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946972 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCc2ccco2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946973 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946982 JH Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946983 JH Annotated Anodyne CC(C)(C)NC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000061947008 JH Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000061947009 JH Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061947846 JH Annotated Anodyne O=C1CCC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](c2ccccc2)CO1 ZINC000061948416 JH Annotated Anodyne O=C1CCC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)O1 ZINC000061948422 JH Annotated Anodyne CCCCN1C(=N)N([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C[C@H]1[C@H](C)CC ZINC000061948884 JH Annotated Anodyne CCCCN1C(=N)N([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C[C@H]1Cc1ccccc1 ZINC000061948886 JH Annotated Anodyne C[C@@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061949389 JH Annotated Anodyne C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061949391 JH Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958781 JH Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958783 JH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958820 JH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1c1ccc(Br)cc1F ZINC000061958880 JH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1c1ccc(Br)cc1F ZINC000061958882 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccc(Cl)cc3NC(=O)[C@@]12C ZINC000061959408 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(Br)ccc3NC(=O)[C@@]12C ZINC000061959411 JH Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(SC3CCCCC3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061959510 JH Annotated Anodyne CC[C@@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000061959579 JH Annotated Anodyne CC[C@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000061959580 JH Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@@]12C ZINC000061959619 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)N1CCC[C@@]21C(=O)OC ZINC000061959692 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000061959737 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12C ZINC000061959749 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12C ZINC000061959761 JH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)c(OC)c1)N[C@@]2(CC(C)C)C(=O)OC ZINC000061959795 JH Annotated Anodyne Cc1c(C(=O)CC(=[N+]=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n+](=O)c2ccccc2n1O ZINC000617995249 JH Annotated Anodyne CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c23)CC1 ZINC000618007521 JH Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000618007550 JH Annotated Reactive CSc1ccc(Cl)c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007642 JH Annotated Reactive CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007645 JH Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000618007677 JH Annotated Reactive Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007933 JH Annotated Reactive Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007934 JH Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000618008087 JH Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000618008287 JH Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)COc2cccc(Cl)c2Cl)C1 ZINC000618008651 JH Annotated Reactive COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)o2)cc1 ZINC000618008681 JH Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000618008827 JH Annotated Reactive COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)o2)cc1 ZINC000618008847 JH Annotated Reactive Cc1ccc(Br)cc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618008893 JH Annotated Reactive C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618009011 JH Annotated Reactive C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618009012 JH Annotated Reactive Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618009101 JH Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(C(N)=O)cc5[nH]4)c3)CC2)CC1 ZINC000618009184 JH Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618009233 JH Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000618009257 JH Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000618009345 JH Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000618009357 JH Annotated Reactive C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618009380 JH Annotated Reactive C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618009381 JH Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C(N)=O)ccc5[nH]4)c3)CC2)CC1 ZINC000618009391 JH Annotated Anodyne CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618009477 JH Annotated Reactive COc1c(Cl)cc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1Cl ZINC000618009519 JH Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)C(=O)C1 ZINC000618009604 JH Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000618009838 JH Annotated Reactive CC(C)N1CCN(CC(=O)NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010344 JH Annotated Anodyne COCCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010366 JH Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2O)C1 ZINC000618010433 JH Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)cnc5[nH]4)c3)CC2)CC1 ZINC000618011766 JH Annotated Anodyne CCC(CC)C(=O)c1c[nH]c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618012516 JH Annotated Reactive Cc1ccc(CN(CCc2ccccc2)C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)s1 ZINC000618013238 JH Annotated Anodyne Cc1ccc(CN(CCc2ccccc2)C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)s1 ZINC000618013242 JH Annotated Anodyne C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(C)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 ZINC000618013375 JH Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)N[C@@H]2S[C@@H]3CCC[C@H]3[C@H]12 ZINC000618013447 JH Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)N[C@@H]2S[C@@H]3CCC[C@@H]3[C@H]12 ZINC000618013452 JH Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)N[C@@H]2S[C@@H]3CCC[C@@H]3[C@@H]12 ZINC000618013454 JH Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)N[C@@H]2S[C@@H]3CCC[C@H]3[C@@H]12 ZINC000618013455 JH Annotated Anodyne Cc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2C(=O)N[C@H](C)C[C@H]2C)n1-c1ccccc1 ZINC000618013548 JH Annotated Anodyne Cc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2C(=O)N[C@H](C)C[C@@H]2C)n1-c1ccccc1 ZINC000618013549 JH Annotated Anodyne C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(C)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 ZINC000618013555 JH Annotated Anodyne C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(C)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 ZINC000618013556 JH Annotated Anodyne C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(C)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 ZINC000618013557 JH Annotated Anodyne CCCCN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 ZINC000618014732 JH Annotated Anodyne CCCCN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 ZINC000618014733 JH Annotated Anodyne CCCCN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 ZINC000618014734 JH Annotated Anodyne CCCCN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 ZINC000618014735 JH Annotated Anodyne Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@@H]4C(=O)NC(=O)N(C)[C@H]4N3)sc2-c2ccc(C)cc2)cc1 ZINC000618015134 JH Annotated Anodyne Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H]4C(=O)NC(=O)N(C)[C@H]4N3)sc2-c2ccc(C)cc2)cc1 ZINC000618015139 JH Annotated Anodyne CO[C@H]1CC[C@@H](OC)[C@H]2C[C@@H](CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)N[C@@H]12 ZINC000618016602 JH Annotated Anodyne CO[C@H]1CC[C@@H](OC)[C@@H]2C[C@@H](CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)N[C@@H]12 ZINC000618016605 JH Annotated Anodyne CO[C@H]1CC[C@@H](OC)[C@@H]2C[C@H](CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)N[C@@H]12 ZINC000618016606 JH Annotated Anodyne CO[C@H]1CC[C@@H](OC)[C@H]2C[C@H](CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)N[C@@H]12 ZINC000618016607 JH Annotated Anodyne CC(=O)N1CCCN(C)CCN(C(=O)Cn2c(CC(C)C)nc3ccccc32)Cc2ccccc21 ZINC000618016700 JH Annotated Anodyne CCN(Cc1ccccc1)C(=O)C1CCC(C/N=c2/c(N3CCC(C)CC3)c(O)c2=O)CC1 ZINC000618016743 JH Annotated Anodyne COCCOCC(=O)N1C[C@H](c2ccc(F)cc2)[C@]2(C1)CN(CC(C)C)C(=O)N2c1ccccc1 ZINC000618016754 JH Annotated Anodyne Cc1nc(C(=O)N2CCOC[C@@H](Cc3cccc4ncccc34)C2)cc(C2(C)CCN(C)CC2)n1 ZINC000618016846 JH Annotated Anodyne Cc1nc(C(=O)N2CCOC[C@H](Cc3cccc4ncccc34)C2)cc(C2(C)CCN(C)CC2)n1 ZINC000618016848 JH Annotated Anodyne CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C(=O)c1cccc(Cn2ccnc2)c1)CCO3 ZINC000618016869 JH Annotated Anodyne O=C1CCCC[C@H]2[C@@H](C[C@@H](Cc3ccccc3)N2C(=O)c2cccc(CN3CCCC3=O)c2)N1 ZINC000618016928 JH Annotated Anodyne Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)O3)n1 ZINC000618016930 JH Annotated Anodyne Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)O3)n1 ZINC000618016931 JH Annotated Anodyne COc1ccccc1Cc1cc(C(=O)N2CC[C@H](Cc3nccnc3-c3ncc[nH]3)C2)ccn1 ZINC000618016974 JH Annotated Anodyne COc1ccccc1Cc1cc(C(=O)N2CC[C@@H](Cc3nccnc3-c3ncc[nH]3)C2)ccn1 ZINC000618016978 JH Annotated Anodyne COc1ccccc1[C@H]1CN(C(=O)c2cccc(Nc3cc(C)nc(C)n3)c2)CCN1C(C)=O ZINC000618016979 JH Annotated Anodyne COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Nc3cc(C)nc(C)n3)c2)CCN1C(C)=O ZINC000618016981 JH Annotated Anodyne CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccc(OCC(=O)O)c4)C[C@@H]3C[C@H]21 ZINC000618016994 JH Annotated Anodyne CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)O3)CC1 ZINC000618017019 JH Annotated Anodyne CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)O3)CC1 ZINC000618017021 JH Annotated Anodyne COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccc(C(C)(C)C)cc4OCC(N)=O)[C@H]23)cc1 ZINC000618017030 JH Annotated Anodyne CCc1noc(CCC(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)n1 ZINC000618017119 JH Annotated Anodyne CCc1noc(CCC(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)n1 ZINC000618017121 JH Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(N)(=O)=O)ccc5[nH]4)c3)CC2)CC1 ZINC000618017291 JH Annotated Anodyne C[C@@]1(CNC(=O)CCCc2nc(O)c3ccccc3n2)CCC[C@@H](O)[C@@H](O)[C@H](c2ccccc2)C1 ZINC000618017317 JH Annotated Anodyne COc1ccc(-c2ccc(F)cc2F)cc1C(=O)NCCC(=O)NCCSSCCN(C)C ZINC000618017401 JH Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1O ZINC000618017554 JH Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(O)cc(-c2ccc(F)cc2F)c1 ZINC000618017560 JH Annotated Reactive CCc1nc2ccccc2n1CC(=O)N1CCOC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 ZINC000618017583 JH Annotated Anodyne CCc1nc2ccccc2n1CC(=O)N1CCOC[C@@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 ZINC000618017597 JH Annotated Anodyne C[C@@H]1CC[C@@H](CNC(=O)c2nn(C)c(=O)c3ccccc23)[C@](C)(O)C[C@H](c2ccccc2)C[C@@H](O)C1 ZINC000618018247 JH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000062224554 JH Annotated Bother FC(F)Oc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCCN(C2CCC2)CC1 ZINC000062225067 JH Annotated Anodyne FC(F)Oc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225092 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(-n3cccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225129 JH Annotated Anodyne Cc1nccn1-c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225134 JH Annotated Anodyne Cc1nonc1-c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225136 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc(-c3csnn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225144 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(Cn3cccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225148 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc(Oc3ncccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225158 JH Annotated Anodyne Cn1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)ccc21 ZINC000062225167 JH Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225177 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2nc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cs2)CC1 ZINC000062233320 JH Annotated Clean CC[C@@H](C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000062236568 JH Annotated Anodyne in-man CC[C@H](C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000062236570 JH Annotated Anodyne in-man CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000062236574 JH Annotated Anodyne in-man CC[C@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000062236578 JH Annotated Anodyne in-man CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)c(=O)c3c2)CC1 ZINC000621433003 JH Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c(=O)c3c2)CC1 ZINC000621433004 JH Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cn(C)c2ccccc12 ZINC000621441602 JH Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cn(C)c2ccccc12 ZINC000621441603 JH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000621441618 JH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000621441619 JH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000621441620 JH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000621441621 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000621441622 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000621441623 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000621441624 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000621441625 JH Annotated Mild C/C(=N\CCN1CCN(C(=O)c2ccccc2)CC1)c1c(C)nn(-c2nc3ccccc3s2)c1O ZINC000621473372 JH Annotated Mild CN(C)CCNC(=O)c1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 ZINC000621476421 JH Annotated Anodyne COC(=O)c1cc(NC(=O)c2cccc3c2C(=O)N(c2cccc(C#N)c2)C3)cc(C(=O)OC)c1 ZINC000621476459 JH Annotated Mild CCOc1ccc(-c2nnc(SC(F)F)n2CCC(=O)OC/C(O)=C(/C#N)C(C)=N)cc1 ZINC000621477520 JH Annotated Reactive COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@@](c2ccc(N4CCOCC4)cc2)(C(F)(F)F)N3)cc1 ZINC000621477878 JH Annotated Reactive COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@](c2ccc(N4CCOCC4)cc2)(C(F)(F)F)N3)cc1 ZINC000621477879 JH Annotated Reactive O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1ccc(F)c(F)c1 ZINC000621478402 JH Annotated Anodyne CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2cccc(F)c2F)ccc1O ZINC000621485757 JH Annotated Reactive COCC(=O)O[C@]1(CCN(C)CCCC2N=c3ccccc3=N2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000063758007 JH Annotated Anodyne CCn1c2ccccc2c2cc(/C=N\NC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)ccc21 ZINC000064237769 JH Annotated Reactive CN(C)CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)Cc3cnn(C)c3-4)c(-c3ccncc3)o2)CC1 ZINC000064298239 JH Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)[C@@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1C ZINC000064361658 JH Annotated Anodyne O=c1cc(O)cc([C@@H]2c3c(cc(/C=C/c4ccc(O)c(O)c4)oc3=O)O[C@H]2c2ccc(O)c(O)c2)o1 ZINC000064361683 JH Annotated Clean O=c1cc(O)cc([C@H]2c3c(cc(/C=C/c4ccc(O)c(O)c4)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1 ZINC000064361685 JH Annotated Clean O=[N+]([O-])c1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC2)s1 ZINC000064416943 JH Annotated Bother COc1ccc(/C=N/n2c(-c3nc(C(C)C)cs3)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000064437078 JH Annotated Mild COc1ccc(/C=N/n2c(-c3nc(C(C)C)cs3)nn(CN3CCOCC3)c2=S)cc1 ZINC000064447465 JH Annotated Mild CC(C)c1csc(-c2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc(N(C)C)cc2)n1 ZINC000064447985 JH Annotated Mild CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](CNC(=O)c1cn(CC)c2ccccc12)C(C)C ZINC000064453849 JH Annotated Anodyne CC(C)c1csc(-c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(N(C)C)cc2)n1 ZINC000064454292 JH Annotated Mild C[C@@H]1CC[C@@H]2C(=O)O[C@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064454357 JH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064454358 JH Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)O[C@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064454360 JH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)O[C@H](CN3C(=O)c4ccccc4C3=O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064454361 JH Annotated Anodyne CN(C)CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)o2)CC1 ZINC000064510749 JH Annotated Anodyne COCCCn1c(NC(=O)c2cccc(F)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21 ZINC000064512775 JH Annotated Anodyne COc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1 ZINC000064512909 JH Annotated Mild COCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21 ZINC000064513073 JH Annotated Mild Nc1nc(=S)[nH]c2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000064513113 JH Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4nc5ccccc5s4)CC3)cc21 ZINC000064513549 JH Annotated Anodyne COc1ccc(N2CCN(Cc3cn(-c4cc(C)nc5ccc(OC)cc45)nn3)CC2)c(C)c1 ZINC000064516485 JH Annotated Clean COc1c(C(=O)O)c(O)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2occc12 ZINC000064516731 JH Annotated Clean COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21 ZINC000064527017 JH Annotated Mild CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(CF)CF)c2)CC1 ZINC000064527530 JH Annotated Anodyne CC(=O)Nc1c(C#N)c(-c2ccccc2)cn1-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000064539027 JH Annotated Mild CCN(CC)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 ZINC000064539045 JH Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3sc(Br)c4c3OCCO4)CC2)nc1 ZINC000064539903 JH Annotated Anodyne CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000064539949 JH Annotated Mild CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=S)N1CCCc2cc(C(=O)O)ccc21 ZINC000064548374 JH Annotated Clean Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(C#N)cc1 ZINC000064548951 JH Annotated Mild COc1c(C(=O)N2CCC(F)(CNCc3ccc(C)cn3)CC2)csc1Br ZINC000064549298 JH Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000064549661 JH Annotated Clean COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549695 JH Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549696 JH Annotated Bother CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)NN)cc1)C2 ZINC000064550029 JH Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2 ZINC000064553070 JH Annotated Anodyne O=S(=O)(Cc1nnc(CS(=O)(=O)c2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1 ZINC000064553318 JH Annotated Anodyne O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccccc1S(=O)(=O)c1ccccc1 ZINC000064553795 JH Annotated Clean 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)c1ccccc1C(=O)O ZINC000064559042 JH Annotated Mild COc1cnccc1C(=O)NCC(C)(C)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559048 JH Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3cccc(C)c3)cn(C3CC3)c12 ZINC000064559232 JH Annotated Reactive COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3ccccc3C)cn(C3CC3)c12 ZINC000064559302 JH Annotated Reactive COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3ccc(Cl)cc3)cn(C3CC3)c12 ZINC000064559303 JH Annotated Reactive CC(C)(CNC(=O)CC(F)(F)F)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560223 JH Annotated Anodyne CC(C)(CNC(=O)c1ccoc1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560365 JH Annotated Anodyne O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N[C@@H](CO)Cc1ccc(O)cc1 ZINC000064560391 JH Annotated Reactive O=C1c2ccccc2C(=O)C12[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000064560517 JH Annotated Clean O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N[C@H](CO)Cc1ccc(O)cc1 ZINC000064560529 JH Annotated Reactive CC(C)(CNC(=O)n1cccc1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560530 JH Annotated Anodyne CC(C)(CNC(=O)c1cscn1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560754 JH Annotated Anodyne CC(C)(CNC(=O)[C@@H]1CC1(F)F)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560847 JH Annotated Anodyne CC(C)(CNC(=O)[C@H]1CC1(F)F)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560849 JH Annotated Anodyne COc1cc(C(=O)c2ccc(-c3csc(NC(C)=O)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064564616 JH Annotated Anodyne CC(C)(CNC(=O)C1(O)CCCCC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064573467 JH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C\C(=O)O ZINC000064573726 JH Annotated Mild CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000064593625 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4cccnc34)CC2)cc1 ZINC000064623292 JH Annotated Anodyne CCCC[C@@](O)(C(=O)NCCCCCC(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1 ZINC000064633603 JH Annotated Reactive in-vitro CCCC[C@](O)(C(=O)NCCCCCC(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1 ZINC000064633605 JH Annotated Reactive in-vitro CCN[C@@H]1CN(c2nc(N3CCCc4ccccc43)nc(N3CCCc4ccccc43)n2)CCO1 ZINC000064637939 JH Annotated Anodyne N#Cc1ccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000064638002 JH Annotated Mild CCCCN1C(=N)N([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@H]1[C@H](C)CC ZINC000064654172 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ncccc34)CC2)cc1 ZINC000064664339 JH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccn(C)n4)c3)c3ccccc23)no1 ZINC000064715108 JH Annotated Anodyne N#Cc1cccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4ccccc4c3=O)CC2)c1 ZINC000064732479 JH Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)CCC[C@@H](O)CCC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000006507067 JH Annotated Mild CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)sc2c1 ZINC000006577017 JH Annotated Anodyne Cc1cc(C)cc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)noc2C)c1 ZINC000006577232 JH Annotated Anodyne aggregator Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)c1C ZINC000006577272 JH Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)c1C ZINC000006577273 JH Annotated Anodyne COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006577949 JH Annotated Anodyne aggregator Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1 ZINC000006578000 JH Annotated Anodyne CCOc1cc(C(=S)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000006600433 JH Annotated Anodyne COC(OC)[C@@]1(C)Oc2ccc(N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O ZINC000006716820 JH Annotated Anodyne C[C@H]1C/C=C/Cc2cccc(O)c2C(=O)O[C@@H](C/C=C/NC(=O)C#Cc2ccccc2)C[C@H]1O ZINC000006733271 JH Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1SC(F)(F)F ZINC000653661102 JH Annotated Anodyne Cc1cnc(NCCN(C)C)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653661731 JH Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCC1CCC(O)CC1)C21CC1 ZINC000653662918 JH Annotated Anodyne CC(C)Nc1nc2cc(C(=O)N(C)C)ncc2nc1N1CCC(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000653665410 JH Annotated Anodyne Nc1ncc(-c2cc(C3C[C@@H]4C[C@H](C3)CN(C3COC3)C4)nc(C3CC3)n2)cc1OC(F)F ZINC000653665755 JH Annotated Anodyne Cc1cnc(OCCN(C)C)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653666155 JH Annotated Anodyne c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(N3CCOCC3)cn2)n1 ZINC000653666684 JH Annotated Anodyne Cc1cnc2cccc(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(CC(C)C)CC4)cc3)c2n1 ZINC000653667562 JH Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1)Cc1ccccc1 ZINC000653668904 JH Annotated Anodyne CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653669370 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cc1 ZINC000653671273 JH Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1)Cc1ccccc1 ZINC000653676842 JH Annotated Anodyne O=C(Nc1ncc(Br)s1)[C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)N[C@@H]1CC[C@@H](CO)CC1)C21CC1 ZINC000653676855 JH Annotated Anodyne O=C(Nc1ncc(Br)s1)[C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)C21CC1 ZINC000653676856 JH Annotated Anodyne Cc1nc(NS(C)(=O)=O)ccc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653677635 JH Annotated Anodyne C[C@H]1CCc2cc(-c3nc(C(N)=O)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653677664 JH Annotated Anodyne O=C(c1cccnc1Br)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000653677682 JH Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccc6c(ccn6C)c5)cn34)c2)CC1 ZINC000653681035 JH Annotated Anodyne COc1cc(OCc2csc(N(C)CCO)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653684269 JH Annotated Anodyne C[C@H]1CCCCN1C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1 ZINC000653685073 JH Annotated Anodyne C[C@@H]1CCCCN1C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1 ZINC000653685075 JH Annotated Anodyne C[C@H]1CCc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653685708 JH Annotated Anodyne Cc1cc(S(=O)(=O)N(C)C)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653686235 JH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4[C@@H](C3)C4(Cl)Cl)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653686467 JH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4[C@H](C3)C4(Cl)Cl)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653686468 JH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4[C@H](C3)C4(Cl)Cl)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653686469 JH Annotated Anodyne COC(=O)CN[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653686886 JH Annotated Anodyne COC(=O)CN[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653686887 JH Annotated Anodyne COC(=O)CN[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653686940 JH Annotated Anodyne COC(=O)CN[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653686941 JH Annotated Anodyne C(=N/OCCN1CCCC1)\c1cccc2nc3c(nc12)-c1ccccc1/C3=N\OCCN1CCCC1 ZINC000653687051 JH Annotated Mild CN(C)CCCO/N=C/c1cccc2nc3c(nc12)-c1ccccc1/C3=N\OCCCN(C)C ZINC000653687103 JH Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1C[C@@H](O)CCC ZINC000653688574 JH Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1C[C@H](O)CCC ZINC000653688575 JH Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1C[C@@H](O)CCC ZINC000653688576 JH Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1C[C@H](O)CCC ZINC000653688577 JH Annotated Mild Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C1[N+](=O)[O-] ZINC000653689428 JH Annotated Reactive Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C1[N+](=O)[O-] ZINC000653689429 JH Annotated Reactive O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc4c(c3)OC(F)(F)O4)[C@@H]12 ZINC000653689980 JH Annotated Bother O=c1c2oc3nc(C(F)(F)F)ccc3c2ncn1/N=C/c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000653690492 JH Annotated Mild COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cc(N)c(OC)c(O)c2)cc(OC)c1OC ZINC000653691057 JH Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1O ZINC000653691066 JH Annotated Bother COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000653691087 JH Annotated Anodyne COc1cc(N)c([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000653691130 JH Annotated Anodyne COc1cc([N+](=O)[O-])c([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000653692698 JH Annotated Bother COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)c(N)c1O ZINC000653692748 JH Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cc(O)c(OC)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000653692812 JH Annotated Bother COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000653692819 JH Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653695775 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653695776 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653695777 JH Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653695778 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653695782 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653695783 JH Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653695784 JH Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653695785 JH Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653695814 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653695815 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653695816 JH Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653695817 JH Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653695854 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653695855 JH Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653695856 JH Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653695857 JH Annotated Anodyne O=C(CCCCCCCCc1cn(-c2ccc(N3CCOCC3)cc2)nn1)N=c1cc[nH]cc1 ZINC000653702390 JH Annotated Anodyne Brc1ccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)cc1 ZINC000653702454 JH Annotated Anodyne CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)c4c(c3C)O[C@H](C)C4(C)C)[C@H](O)[C@]2(C)[C@@]1(C)O ZINC000653703229 JH Annotated Anodyne CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3ccc(-c4ccccn4)cc3)[C@H]2N2C1=N[C@@H]1CCC[C@@H]12 ZINC000653708013 JH Annotated Anodyne CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3ccc(-c4ccccn4)cc3)[C@@H]2N2C1=N[C@@H]1CCC[C@@H]12 ZINC000653708014 JH Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4nc5ccccc5o4)nn3)ccc2O)c1 ZINC000653709163 JH Annotated Anodyne O=C1/C(=C/c2ccc(O)c(CN3CCCC3)c2)CNC/C1=C\c1ccc(O)c(CN2CCCC2)c1 ZINC000653710278 JH Annotated Mild CC(C)(NC(=O)C1(C(F)(F)F)CC1)C(=O)Nc1nc(C(C)(C)C)n(-c2ccc(F)cc2)n1 ZINC000653712851 JH Annotated Anodyne CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O ZINC000653713019 JH Annotated Mild COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc([S@](C)=O)cc2)cc(OC)c1OC ZINC000653713028 JH Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc([S@@](C)=O)cc2)cc(OC)c1OC ZINC000653713029 JH Annotated Anodyne COC(=O)c1[nH]c2ccc(Br)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1N ZINC000653714242 JH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1N ZINC000653715518 JH Annotated Anodyne COC(=O)CN[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653716068 JH Annotated Anodyne COC(=O)CN[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653716070 JH Annotated Anodyne Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3ccc(N=c4cc[nH]cc4)cc3n2)cn1 ZINC000653716270 JH Annotated Anodyne COc1cc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)ccc1O ZINC000653716274 JH Annotated Anodyne C[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(CO)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@H]4[C@H]2[C@H]1O)C3(C)C ZINC000653717582 JH Annotated Mild O=C1Nc2cc(S(=O)(=O)N3c4ccccc4COc4cc(F)ccc43)ccc2C12CCNCC2 ZINC000653717830 JH Annotated Anodyne CN1CCN(C(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)CC1 ZINC000653721420 JH Annotated Anodyne CCOc1ccc(S(=O)(=O)CC)cc1-c1cn(C)c(=O)c2ccc(-c3cnn(C)c3)cc12 ZINC000653721784 JH Annotated Anodyne COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H]1CCC[C@H]2N1CCCC1 ZINC000653725580 JH Annotated Anodyne COc1ccc(OC(=O)N2C[C@H](C)N(C(C)=O)c3ccc(-c4cnn(C5COC5)c4)cc32)cc1 ZINC000653726183 JH Annotated Anodyne CCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1 ZINC000653726563 JH Annotated Anodyne CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000653727899 JH Annotated Reactive COc1cc(OC)cc([C@@H]2CC(=O)N(Cc3cccnc3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1 ZINC000653730574 JH Annotated Bother COCC[S@](=O)CCC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000653735436 JH Annotated Mild COCC[S@@](=O)CCC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000653735437 JH Annotated Mild Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)N/N=C/c2ccccc2Cl)SCCS3)cc1 ZINC000653737502 JH Annotated Reactive Cc1ccc(S(=O)(=O)N/C(CCNC2=CC(=O)c3ccccc3C2=O)=N/Cc2ccccc2)cc1 ZINC000653743729 JH Annotated Mild Cc1ccc(S(=O)(=O)N/C(CCNC2=CC(=O)c3ccccc3C2=O)=N/C2CCCCC2)cc1 ZINC000653743755 JH Annotated Mild O=C(NCc1ccc(F)cc1)c1c(O)c2cc(-c3ccco3)ccc2n(CCCCO)c1=O ZINC000653747657 JH Annotated Anodyne NC[C@@H]1CC[C@@H](NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 ZINC000653747981 JH Annotated Anodyne O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1[C@@H]1CC[C@@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000653749314 JH Annotated Bother O[C@@](CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653749335 JH Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653749338 JH Annotated Anodyne COc1ccccc1-c1csc2nc(N3CC[C@@H](C(N)=O)C3)nc(N3[C@H]4CC[C@H]3CC(OC)C4)c12 ZINC000653749356 JH Annotated Anodyne Cc1cccc(-c2nnc(C3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)c1 ZINC000653749432 JH Annotated Anodyne Cc1cccc(-c2nnc(C3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)c1 ZINC000653749436 JH Annotated Anodyne CCc1ccc(-c2nnc(C3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000653749469 JH Annotated Anodyne CCc1ccc(-c2nnc(C3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000653749471 JH Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4snnc34)cc2)CC1 ZINC000653754928 JH Annotated Anodyne Cc1ccc(-c2noc(C3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)n2)cc1 ZINC000653757194 JH Annotated Anodyne Cc1ccc(-c2noc(C3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)n2)cc1 ZINC000653757196 JH Annotated Anodyne NC(=O)[C@@H]1CCN(c2nc(N3[C@H]4CC[C@H]3CC(O)C4)nc3scc(-c4ccccc4Cl)c23)C1 ZINC000653758365 JH Annotated Anodyne NC(=O)[C@@H]1CCN(c2nc(N3[C@H]4CC[C@H]3COC4)nc3scc(-c4ccccc4Cl)c23)C1 ZINC000653758377 JH Annotated Anodyne C=CC[C@@H](OC(=O)[C@@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(C)=O)c1nc(C)c(C)nc1C ZINC000653758640 JH Annotated Mild C=CC[C@H](OC(=O)[C@@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(C)=O)c1nc(C)c(C)nc1C ZINC000653758641 JH Annotated Mild CCNC(=O)Nc1cn(-c2ncc(C)c(CCCC(=O)O)n2)c2cc(-c3cccnc3)cnc12 ZINC000653760621 JH Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)cc2)nc(=O)n(Cc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1CC ZINC000653761897 JH Annotated Mild O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1 ZINC000653762240 JH Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccc(-n3ccnc3)nn2)cc1 ZINC000653762244 JH Annotated Anodyne NC(=O)[C@@H]1CCN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)C1 ZINC000653762247 JH Annotated Anodyne NC(=O)[C@H]1CCN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)C1 ZINC000653762248 JH Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(C#Cc4ccc(C(=O)N(C)C)cc4)cn23)cc1 ZINC000653763562 JH Annotated Mild Nc1ncc(-c2cc([C@@H]3[C@H]4CN(c5nccs5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653763862 JH Annotated Anodyne O=C(N/N=C/c1c(O)cc(O)cc1O)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 ZINC000653764374 JH Annotated Reactive O[C@@](CN1CCC(c2nnc(-c3ccccc3F)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653764421 JH Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3ccccc3F)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653764422 JH Annotated Anodyne Cc1ccccc1-c1nnc(C2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1 ZINC000653764453 JH Annotated Anodyne Cc1ccccc1-c1nnc(C2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1 ZINC000653764454 JH Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccc(N3CCOCC3)nn2)cc1 ZINC000653764960 JH Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653767398 JH Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4CNC(=O)CO4)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653771348 JH Annotated Anodyne Nc1ncc(-c2cc([C@@H]3CC[C@@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653773149 JH Annotated Anodyne Nc1ncc(-c2cc([C@H]3CC[C@@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653773151 JH Annotated Anodyne Nc1ncc(-c2cc([C@H]3CC[C@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653773152 JH Annotated Anodyne Nc1ncc(-c2cc([C@@H]3CC[C@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653773153 JH Annotated Anodyne O=C1NC(=O)C(=Cc2ccc(N(CCOCc3ccccc3)CCOCc3ccccc3)cc2)C(=O)N1 ZINC000653776556 JH Annotated Clean NC[C@H]1CC[C@@H](NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 ZINC000653778066 JH Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@@H]3C[C@H](N4CCCOCC4)C3)n2)C1 ZINC000653778408 JH Annotated Anodyne C[C@H]1CN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6C=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4C ZINC000653779705 JH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc([N+](=O)[O-])cc(F)c3s2)CC1 ZINC000653779710 JH Annotated Bother CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc([N+](=O)[O-])cc(F)c3s2)CC1 ZINC000653779711 JH Annotated Bother C[C@H]1CN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4C ZINC000653779726 JH Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2cc3sc(CO)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653779738 JH Annotated Anodyne COc1ccc(CCNCc2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(OC)c(O)c2)O3)cc1 ZINC000653780353 JH Annotated Clean C[C@@]1(c2cc(-c3cc(-c4ncc(Cl)cn4)no3)ccc2F)C[S@@]2(=O)=NCCCCN2C(=N)N1 ZINC000653780736 JH Annotated Anodyne Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1 ZINC000653781581 JH Annotated Anodyne C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c1cccc(Cc2nnc(O)c3ccccc23)c1 ZINC000653782548 JH Annotated Anodyne COC(=O)CC1CCN(C[C@H]2CN(c3ccc(-n4cc(-c5ccccn5)cn4)c(F)c3)C(=O)O2)CC1 ZINC000653782609 JH Annotated Anodyne C[C@@]1(c2cc(-c3cc(-c4ncc(Cl)cn4)no3)ccc2F)C[S@]2(=O)=NCCCCN2C(=N)N1 ZINC000653784779 JH Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2c(CO)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653784807 JH Annotated Anodyne C[C@]1(COc2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653785972 JH Annotated Bother O=S(=O)(c1ccccc1)n1c(-c2cn(CCc3c[nH]c4ncccc34)nn2)cc2cccnc21 ZINC000653788998 JH Annotated Anodyne CCN(CC)CC(=O)Nc1ccc2oc3ccc(NC(=O)CN(CC)CC)cc3c(=O)c2c1 ZINC000653790386 JH Annotated Bother C[C@@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cccc(Cc2nnc(O)c3ccccc23)c1 ZINC000653790882 JH Annotated Anodyne C[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cccc(Cc2nnc(O)c3ccccc23)c1 ZINC000653790883 JH Annotated Anodyne C[C@@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c1cccc(Cc2nnc(O)c3ccccc23)c1 ZINC000653790887 JH Annotated Anodyne CC[C@@H](C)/C=C/CCCC/C=C/C=C/C=C/C(=O)N[C@@H]1CO[C@@]2(O)C=C[C@@H](Cl)[C@H](O)[C@@]2(O)C1 ZINC000653794070 JH Annotated Reactive COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNCCc4ccc([N+](=O)[O-])cc4)c3O)O2)cc1O ZINC000653794371 JH Annotated Clean O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCCCC1)OCO3 ZINC000653795801 JH Annotated Clean Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)cc[n+]1Cc1ccc(Br)cc1 ZINC000653796691 JH Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)cc[n+]1Cc1ccc(Br)cc1 ZINC000653796693 JH Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)cc[n+]1Cc1ccc(Br)cc1 ZINC000653796695 JH Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)cc[n+]1Cc1ccc(Br)cc1 ZINC000653796697 JH Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@@H]12 ZINC000653799590 JH Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@H]12 ZINC000653799591 JH Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@H]12 ZINC000653799592 JH Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@@H]12 ZINC000653799593 JH Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c3ccccc32)cc1 ZINC000653799622 JH Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c3ccccc32)cc1 ZINC000653799623 JH Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c3ccccc32)cc1 ZINC000653799624 JH Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c3ccccc32)cc1 ZINC000653799625 JH Annotated Mild CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000653799971 JH Annotated Bother CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000653799972 JH Annotated Bother CCCCNC(=O)c1ccn2c(NCc3ccc(NC(=N)N)cc3)c(-c3cccnc3)nc2c1 ZINC000653801352 JH Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](Cc4ccc(Br)cc4)c3)[C@H]12 ZINC000653803610 JH Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](Cc4ccc(Br)cc4)c3)[C@@H]12 ZINC000653803617 JH Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](Cc4ccc(Br)cc4)c3)[C@@H]12 ZINC000653803627 JH Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](Cc4ccc(Br)cc4)c3)[C@H]12 ZINC000653803628 JH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(OC)cc3s2)CC1 ZINC000653803637 JH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(OC)cc3s2)CC1 ZINC000653803645 JH Annotated Anodyne Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1 ZINC000653803666 JH Annotated Bother CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc5ccccc5c4)c3)[C@@H]12 ZINC000653803694 JH Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc5ccccc5c4)c3)[C@H]12 ZINC000653803696 JH Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc5ccccc5c4)c3)[C@H]12 ZINC000653803697 JH Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc5ccccc5c4)c3)[C@@H]12 ZINC000653803698 JH Annotated Mild CC(C)c1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCN(C)C)CC4)c3C2)cc1 ZINC000653803712 JH Annotated Anodyne COc1ccc(NC(=S)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653804992 JH Annotated Bother CC[C@H](c1nnnn1CCc1cccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000653807547 JH Annotated Anodyne CC[C@@H](c1nnnn1CCc1cccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000653807548 JH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000653807549 JH Annotated Bother CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000653807550 JH Annotated Bother CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 ZINC000653811141 JH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 ZINC000653811142 JH Annotated Anodyne Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1 ZINC000653813156 JH Annotated Bother COc1cccc(S(=O)(=O)NC(=O)c2cc(-c3ccc(C#CCO)s3)c(Cl)cc2OC)c1 ZINC000653816978 JH Annotated Mild COc1cc(C)c(S(=O)(=O)NC(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1 ZINC000653817024 JH Annotated Mild O=C(NN1[C@H](C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)c1ccncc1 ZINC000653817168 JH Annotated Anodyne O=C(NN1[C@H](C(=O)Nc2ccc(Cl)cc2)C[C@H]1C(=O)Nc1ccc(Cl)cc1)c1ccncc1 ZINC000653817169 JH Annotated Anodyne O=C(NN1[C@@H](C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)c1ccncc1 ZINC000653817170 JH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2C[C@H](C(=O)Nc3ccc(C)cc3C)N2NC(=O)c2ccncc2)c(C)c1 ZINC000653819625 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)Nc3ccc(C)cc3C)N2NC(=O)c2ccncc2)c(C)c1 ZINC000653819627 JH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2C[C@@H](C(=O)Nc3ccc(C)cc3C)N2NC(=O)c2ccncc2)c(C)c1 ZINC000653819628 JH Annotated Anodyne N#Cc1c[nH]c2c(cnn2-c2ccccc2)c1=NCCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000653819827 JH Annotated Mild COc1cc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc(Br)c1OC ZINC000653821017 JH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc(Br)c1OC ZINC000653821018 JH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(C3CCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821704 JH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(C3CCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821705 JH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(Cc3ccco3)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000653823204 JH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(Cc3ccco3)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000653823205 JH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(C3CCCC3)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000653823208 JH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(C3CCCC3)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000653823209 JH Annotated Anodyne O=c1c(F)cn(Cc2nc3ccccc3n2Cc2cccc(F)c2)c(=O)n1Cc1cccc(F)c1 ZINC000653823247 JH Annotated Anodyne CC(C)(C(=O)N1CCN(c2cc(NCCN)c3c(Cl)cccc3n2)CC1)c1ccccc1 ZINC000653825418 JH Annotated Anodyne Cc1ccc([C@@H](C)OC[C@H](O)CN2CCC[C@@H]2Cc2ccccc2)c2c1O[C@@H]1[C@@H](C(=O)O)[C@H]21 ZINC000653826088 JH Annotated Anodyne Cc1ccc([C@@H](C)OC[C@H](O)CN2CCC[C@H]2Cc2ccccc2)c2c1O[C@@H]1[C@@H](C(=O)O)[C@H]21 ZINC000653826089 JH Annotated Anodyne CC(=O)Oc1ccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1OC(C)=O ZINC000653827682 JH Annotated Anodyne CC(=O)Oc1cccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1OC(C)=O ZINC000653827764 JH Annotated Anodyne C[C@@H](Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br ZINC000653831362 JH Annotated Anodyne Cc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000653834513 JH Annotated Reactive N#Cc1c(O)nc(Sc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)nc1-c1ccccc1 ZINC000653836224 JH Annotated Mild O=C(Nc1ccc(N2CC[C@@H](C(=O)O)CC2=O)cc1)c1cc(Br)c(Br)[nH]1 ZINC000653837587 JH Annotated Anodyne O=C(Nc1ccc(N2CC[C@H](C(=O)O)CC2=O)cc1)c1cc(Br)c(Br)[nH]1 ZINC000653837588 JH Annotated Anodyne CC(=O)Oc1cccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1OC(C)=O ZINC000653838819 JH Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653842750 JH Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)c1nccs1 ZINC000653842800 JH Annotated Anodyne O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c([C@@H]3C[C@H]3CO)n12 ZINC000653842844 JH Annotated Anodyne COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2cccc(CCCC(N)=O)c2)cc1C ZINC000653843466 JH Annotated Anodyne COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2cccc(CCCC(N)=O)c2)cc1C ZINC000653843467 JH Annotated Anodyne CN(C)CCC1(C#N)CCN(c2c(Cl)cncc2-c2ccc3c(c2)CS(=O)(=O)N3C)CC1 ZINC000653843468 JH Annotated Mild O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)c1ccccn1 ZINC000653843471 JH Annotated Anodyne COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccc(CCCC(N)=O)cc2)cc1C ZINC000653843979 JH Annotated Anodyne COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccc(CCCC(N)=O)cc2)cc1C ZINC000653843980 JH Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)N1CCCCC1 ZINC000653844290 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C#N)c3c2C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000653844329 JH Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2cc[n+]([O-])cc2)C3=O)cc1 ZINC000653847481 JH Annotated Anodyne CN(C)CCn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000653847649 JH Annotated Anodyne CC(C)CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653848980 JH Annotated Anodyne O=S(=O)(CC1CC1)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653849016 JH Annotated Anodyne CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)OC(=O)NC4(C)C)cc2CS1(=O)=O ZINC000653850659 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2ccc[n+]([O-])c2)C3=O)cc1 ZINC000653850686 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2ccc[n+]([O-])c2)C3=O)cc1 ZINC000653850689 JH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2cccc[n+]2[O-])C3=O)cc1 ZINC000653850854 JH Annotated Anodyne COc1cc(-c2ccco2)cc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000653850973 JH Annotated Anodyne O=C1c2cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2C(=O)N1c1cccnc1 ZINC000653851677 JH Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCNCC3)nc21 ZINC000653852793 JH Annotated Anodyne COc1cc(/C=C/C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)cc(OC)c1OC ZINC000653852920 JH Annotated Anodyne CNc1ccc(C(=O)C[C@@H](O)[C@H](C)C[C@@H](C)[C@H](O)[C@H](C)/C=C/C=C/C=C/[C@H](O)CC(=O)O)cc1 ZINC000653854649 JH Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)C1CCC1 ZINC000653856228 JH Annotated Anodyne CC[C@@H](C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653856292 JH Annotated Anodyne CC[C@H](C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653856293 JH Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000653858626 JH Annotated Bother N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000653858627 JH Annotated Bother COc1cc(-c2nnc(SCC(=O)c3ccc(C(F)(F)F)cc3)n2N)cc(OC)c1OC ZINC000653859580 JH Annotated Anodyne CC(C)(C)OC(=O)NCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000653861613 JH Annotated Mild CC(C)(C)OC(=O)NCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000653861614 JH Annotated Mild COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(-c4ccc(F)cc4)nc32)cc1OC ZINC000653861918 JH Annotated Anodyne COCCOc1nc(-c2ccc(Br)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 ZINC000653863931 JH Annotated Reactive CC[C@@]1(O)C(Br)=C(Br)C(=O)C1=C(Br)Br ZINC000653863963 JH Annotated Mild Cn1c(COc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc21 ZINC000653865324 JH Annotated Anodyne CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@H](c3ccccc3)C2)c1 ZINC000653865328 JH Annotated Anodyne CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@@H](c3ccccc3)C2)c1 ZINC000653865329 JH Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1cccc(-c2cccnc2)c1 ZINC000653869257 JH Annotated Anodyne O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1CCN1CCOCC1 ZINC000653870718 JH Annotated Mild O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1CCN1CCOCC1 ZINC000653870719 JH Annotated Mild COc1ccncc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000653871547 JH Annotated Anodyne COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(-c4ccsc4)nc32)cc1OC ZINC000653878456 JH Annotated Anodyne CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2cc(Cl)nn12 ZINC000653878466 JH Annotated Anodyne O=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)Nc1cnc2cc(Cl)nn2c1[C@H]1CCCO1 ZINC000653878763 JH Annotated Anodyne O=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)Nc1cnc2cc(Cl)nn2c1[C@@H]1CCCO1 ZINC000653878764 JH Annotated Anodyne COC[C@@H](c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12)C1CC1 ZINC000653878877 JH Annotated Anodyne COC[C@H](c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12)C1CC1 ZINC000653878880 JH Annotated Anodyne CCN(C(=O)CN)[C@@H]1CN(C(=NC#N)Nc2ccc(Cl)c(Cl)c2)N=C1c1ccc(Cl)cc1 ZINC000653882844 JH Annotated Mild CCN(C(=O)CN)[C@H]1CN(C(=NC#N)Nc2ccc(Cl)c(Cl)c2)N=C1c1ccc(Cl)cc1 ZINC000653882845 JH Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)[C@@H](O)CC[C@@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653883180 JH Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)[C@H](O)CC[C@@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653883182 JH Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)[C@@H](O)CC[C@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653883183 JH Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)[C@H](O)CC[C@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653883185 JH Annotated Mild O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653887025 JH Annotated Anodyne CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc21 ZINC000653887049 JH Annotated Anodyne COc1ccc(-n2c(-c3ccc(F)cc3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653887164 JH Annotated Anodyne Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccc(F)cc1 ZINC000653887601 JH Annotated Reactive Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccccc1F ZINC000653887614 JH Annotated Reactive CN1CCN(CCC(=O)N2CC3[C@H](c4ccccc4)CC(N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653890289 JH Annotated Anodyne CN1CCN(CCC(=O)N2CC3[C@@H](c4ccccc4)CC(N(C)C)(C[C@@H]3c3ccccc3)C2)CC1 ZINC000653890290 JH Annotated Anodyne CN1CCN(CCC(=O)N2C[C@@H]3[C@@H](c4ccccc4)C[C@](N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653890292 JH Annotated Anodyne C/C(=C\C(=O)O[C@H]1[C@@H]2[C@H](C)CC[C@H]2[C@]2(C)O[C@@]1(C(C)C)C[C@H]2NC(=O)CO)c1ccccc1 ZINC000653894771 JH Annotated Anodyne CC(C)(C)OC(=O)NCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000653901835 JH Annotated Mild CC(C)(C)OC(=O)NCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000653901838 JH Annotated Mild COc1ccc(-n2c(C3CCCCC3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653905724 JH Annotated Anodyne COc1ccc(-n2c([C@H]3CC=CCC3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653905747 JH Annotated Anodyne COc1ccc(-n2c([C@@H]3CC=CCC3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653905748 JH Annotated Anodyne COc1ccc(-n2c(-c3ccsc3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653905792 JH Annotated Anodyne CC(C)(C)OC(=O)NCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cccc(O)c1 ZINC000653907559 JH Annotated Mild CC(C)(C)OC(=O)NCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cccc(O)c1 ZINC000653907562 JH Annotated Mild CC1(C)COP(=O)(Nc2ccc(-c3cc4ccc(OS(N)(=O)=O)cc4oc3=O)cc2)OC1 ZINC000653909275 JH Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)oc2c1 ZINC000653916380 JH Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc1-2 ZINC000066066173 JH Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc1-2 ZINC000066066174 JH Annotated Anodyne COCCN(Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1)S(C)(=O)=O ZINC000066066490 JH Annotated Anodyne COCCN(C)Cc1nc(-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)ns1 ZINC000066073746 JH Annotated Anodyne Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2c[n+]([O-])ccc2C(C)C)c1 ZINC000066073835 JH Annotated Anodyne Cc1cc(=O)oc2cc(OCCCCCn3cncn3)cc(OCCCCCn3cncn3)c12 ZINC000066073864 JH Annotated Anodyne CCN(CC)c1ncc(-c2c(C)noc2C)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)n1 ZINC000066074199 JH Annotated Anodyne O=C(Nc1ccccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1 ZINC000066076160 JH Annotated Anodyne Nc1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)OCc2ccccc21 ZINC000066076414 JH Annotated Anodyne Nc1ccccc1S(=O)(=O)N1C[C@H](n2cnc3c(Cl)nc(Cl)nc32)OCc2ccccc21 ZINC000066076416 JH Annotated Anodyne COCC(=O)O[C@]1(CCN(C)CCCC2N=c3ccccc3=N2)CCc2cc(F)ccc2[C@H]1C(C)C ZINC000066076858 JH Annotated Anodyne COCC(=O)O[C@@]1(CCN(C)CCCC2N=c3ccccc3=N2)CCc2cc(F)ccc2[C@H]1C(C)C ZINC000066076860 JH Annotated Anodyne COCC(=O)O[C@@]1(CCN(C)CCCC2N=c3ccccc3=N2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000066076862 JH Annotated Anodyne O=C(NCc1ccccc1C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1 ZINC000066076902 JH Annotated Anodyne O=c1c(C2CCCCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000066077396 JH Annotated Anodyne O=C(CO)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078232 JH Annotated Anodyne NCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078904 JH Annotated Anodyne CCOC(=O)/C(=C/c1ccc(OC(C)=O)c(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000066080261 JH Annotated Anodyne O=C(c1cccc2ccccc12)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000066098378 JH Annotated Anodyne C[C@@]12CCC(=O)/C(=C\NCCc3ccccc3)C1=C(O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000066099282 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)C(=O)CCS4)c(N)cc2c1=O ZINC000066099391 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)C(=O)[C@H](C)CS4)c(N)cc2c1=O ZINC000066099393 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)C(=O)[C@@H](C)CS4)c(N)cc2c1=O ZINC000066099395 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)/C(=N/O)CCS4)c(N)cc2c1=O ZINC000066099396 JH Annotated Mild Cc1cc(NC[C@H](C)NS(=O)(=O)C(C)C)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1 ZINC000066101400 JH Annotated Anodyne Nc1nc(N2CCN(C(=O)OCc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1 ZINC000066101520 JH Annotated Anodyne COc1nc2c(cc1NCc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066112089 JH Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)C(=O)[C@H](C)CS4)c(N)cc2c1=O ZINC000066112305 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)C(=O)[C@@H](C)CS4)c(N)cc2c1=O ZINC000066112306 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)[C@H](C)CS4)c(N)cc2c1=O ZINC000066112518 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)[C@@H](C)CS4)c(N)cc2c1=O ZINC000066112519 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/OC)CCS4)c(N)cc2c1=O ZINC000066112520 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/OC)[C@H](C)CS4)c(N)cc2c1=O ZINC000066112521 JH Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/OC)[C@@H](C)CS4)c(N)cc2c1=O ZINC000066112522 JH Annotated Mild CCOP(=O)(CC/C=C/Cn1cc(Cl)c(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066112698 JH Annotated Anodyne CCOP(=O)(CC/C=C/Cn1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066112699 JH Annotated Anodyne COc1nc2c(cc1NCc1c(F)cc(F)cc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C ZINC000066112752 JH Annotated Anodyne COCCOCO[C@@H]1/C=C\[C@H](OC(C)=O)[C@H](OC(C)=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000066112790 JH Annotated Anodyne COCCOCO[C@@H]1/C=C\[C@@H](OC(C)=O)[C@H](OC(C)=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000066112791 JH Annotated Anodyne COCCOCO[C@@H]1/C=C\[C@H](OC(C)=O)[C@@H](OC(C)=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000066112792 JH Annotated Anodyne COCCOCO[C@@H]1/C=C\[C@@H](OC(C)=O)[C@@H](OC(C)=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C ZINC000066112793 JH Annotated Anodyne COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)OC(=O)[C@H]2NC(=O)c2ccccc2)cc(OC)c1OC ZINC000066123094 JH Annotated Mild COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(=O)[C@H]2NC(=O)c2ccccc2)cc(OC)c1OC ZINC000066123096 JH Annotated Mild COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)OC(=O)[C@@H]2NC(=O)c2ccccc2)cc(OC)c1OC ZINC000066123097 JH Annotated Mild COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(=O)[C@@H]2NC(=O)c2ccccc2)cc(OC)c1OC ZINC000066123099 JH Annotated Mild C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066123490 JH Annotated Bother C[C@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066123492 JH Annotated Bother C[C@@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066123494 JH Annotated Bother CC(C)OC(=O)[C@H](C)NC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066123912 JH Annotated Anodyne CC(C)OC(=O)[C@@H](C)NC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066123914 JH Annotated Anodyne CC(C)OC(=O)[C@@H](C)NC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000066123915 JH Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1)CCCNC2 ZINC000066124144 JH Annotated Anodyne O=C1N[C@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@@H]1c3ccccc3N(OOSc3ccccc3)[C@@H]12 ZINC000066128606 JH Annotated Reactive CCN1C(C)=C(C(=O)OC)[C@@H](c2ccccc2)N/C1=N\Cc1cc(OC)c(OC)c(OC)c1 ZINC000066138954 JH Annotated Mild COC(=O)C[C@H]1c2ccccc2C2=C(C[C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)N1C(=O)OC ZINC000066138993 JH Annotated Anodyne COC(=O)C[C@@H]1c2ccccc2C2=C(C[C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)N1C(=O)OC ZINC000066138998 JH Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000066157050 JH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066157110 JH Annotated Bother C[C@H]1CC[C@@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066157111 JH Annotated Bother C[C@@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066157112 JH Annotated Bother C[C@H]1CC[C@H]2C(=O)N(Cc3cccc([N+](=O)[O-])c3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066157114 JH Annotated Bother CCC[C@H](OCCOCCOCCN=[N+]=[N-])C1=C(Br)/C(=C/Br)OC1=O ZINC000066157487 JH Annotated Clean CCC[C@@H](OCCOCCOCCN=[N+]=[N-])C1=C(Br)/C(=C/Br)OC1=O ZINC000066157489 JH Annotated Clean CC1(C)CC(=O)c2c(ccc3c2NC(=O)[C@]32C[C@@]3([N+](=O)[O-])CN4CCC[C@H]4C[C@@H]3C2(C)C)O1 ZINC000066166067 JH Annotated Bother CC1(C)CC(=O)c2c(ccc3c2NC(=O)[C@]32C[C@@]3([N+](=O)[O-])CN4CCC[C@@H]4C[C@@H]3C2(C)C)O1 ZINC000066166273 JH Annotated Bother CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc(F)c2)N/C1=N\Cc1cc(OC)c(OC)c(OC)c1 ZINC000066166878 JH Annotated Mild CCOC(=O)CCCNC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066167217 JH Annotated Anodyne C[C@@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc2c(c1)OCCN2C)CC3 ZINC000066167284 JH Annotated Anodyne COc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@@]21C[C@@]2([N+](=O)[O-])CN3CCC[C@@H]3C[C@H]2C1(C)C ZINC000066251124 JH Annotated Bother CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)cc2C1 ZINC000066251296 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(O)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000066251347 JH Annotated Anodyne CCCC(=O)N1C(=O)[C@]2(SC[C@H]3C(=O)N(Cc4ccc(Cl)cc4)C(=O)N32)c2ccccc21 ZINC000066251491 JH Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000066251563 JH Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000066251564 JH Annotated Anodyne COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000066251906 JH Annotated Reactive Cc1nc(-c2ccccc2)ncc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br ZINC000066252226 JH Annotated Reactive CC(C)(C)N(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066252310 JH Annotated Bother COc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@@]21C[C@]2([N+](=O)[O-])CN3CCC[C@@H]3C[C@H]2C1(C)C ZINC000066252364 JH Annotated Bother CC1(C)CCC(N2C(=O)[C@@H]3CS[C@]4(C(=O)Nc5ccc(Br)cc54)N3C2=O)CC1 ZINC000066252505 JH Annotated Anodyne N#Cc1ccc(C(=O)CCNCCSSCCNCCC(=O)c2ccc(C#N)cc2)cc1 ZINC000066252556 JH Annotated Reactive COC(=O)c1coc(CN2CCN(C(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000066252846 JH Annotated Anodyne O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(Br)ccc21 ZINC000066258449 JH Annotated Anodyne O=C(C[C@@H](c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258685 JH Annotated Anodyne O=C(C[C@H](c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258686 JH Annotated Anodyne O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccc(Br)cc43)N2C(=O)N1Cc1ccc(Cl)cc1 ZINC000066258835 JH Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(N)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000066259239 JH Annotated Anodyne COc1ccc(-c2cc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)no2)cc1 ZINC000066259277 JH Annotated Reactive Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)noc1-c1ccccc1 ZINC000066259279 JH Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3F)nc1)C2 ZINC000066259324 JH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(F)c3)nc1)C2 ZINC000066259325 JH Annotated Bother CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1OC(C)=O ZINC000066259363 JH Annotated Anodyne CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)C4CCNCC4)c3)nc2c2c1ncn2C ZINC000066259398 JH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3F)cn1)C2 ZINC000066259506 JH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(F)c3)cn1)C2 ZINC000066259507 JH Annotated Bother CCOC(=O)c1sc2nc(CCSc3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]c(=O)c2c1C ZINC000066260216 JH Annotated Bother COC(=O)c1coc(CN2CCN(C(=O)C[C@@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)n1 ZINC000066262411 JH Annotated Anodyne COC(=O)c1coc(CN2CCN(C(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)n1 ZINC000066262414 JH Annotated Anodyne COC(=O)c1coc(CN2CCN(C(=O)C[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000066262417 JH Annotated Anodyne COC(=O)c1coc(CN2CCN(C(=O)C[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000066262421 JH Annotated Anodyne CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(Oc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000066262527 JH Annotated Anodyne C=C1CC[C@H]([C@@H](C)COC(C)=O)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000066262867 JH Annotated Mild COCCOc1cnc2ccc([C@H](C)n3nnc4ccn(-c5cc(C)ns5)c(=O)c43)cc2c1 ZINC000068152009 JH Annotated Anodyne Oc1cc(/C=C/C(=S)NCc2cc(O)c(O)c(O)c2Br)cc(Br)c1O ZINC000068152833 JH Annotated Clean Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2Br)cc(O)c1O ZINC000068152839 JH Annotated Clean COc1cc(OC)c(F)c(-c2ccc(C(=O)/N=c3\[nH]cc(CN4CCCC4)[nH]3)c3nccnc23)c1F ZINC000068152912 JH Annotated Anodyne COc1cc(OC)c(F)c(-c2ccc(C(=O)/N=c3\[nH]cc(CN(C)C)[nH]3)c3ncccc23)c1F ZINC000068152922 JH Annotated Anodyne COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCCC3)cc2)cc(OC)c1Br ZINC000068198207 JH Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCCC3)cc2)cc(OC)c1Br ZINC000068198209 JH Annotated Reactive Cc1cnc(NC(=O)[C@H](COC2CCC2)Oc2ncnc3c2cnn3-c2ccccc2Cl)cn1 ZINC000068198688 JH Annotated Anodyne COCC[C@H](Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 ZINC000068198690 JH Annotated Anodyne CC(C)Oc1cc(CN2CC[C@@]3(C[C@@H]2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)ccc1O ZINC000068199981 JH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCc2nnn[nH]2)ccc1-c1ccc(Br)cc1 ZINC000068201306 JH Annotated Clean Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(C(=O)O)cc5)[nH]c4C)ccc3[nH]2)n1 ZINC000068205675 JH Annotated Anodyne COc1cc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)F)cn4)sc3C2)cnc1Cl ZINC000068245413 JH Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1CN1CC(O)C1 ZINC000068246113 JH Annotated Anodyne CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3cnc(C)cn3)cc2n1 ZINC000068246546 JH Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000068247148 JH Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000068247149 JH Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(I)cnc2C1 ZINC000068247211 JH Annotated Anodyne Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(Cl)c3)s1)CCN(CCC(=O)O)C2 ZINC000068247799 JH Annotated Anodyne C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C(F)(F)F)sc2CC3)[C@@H]1C(N)=O ZINC000068248850 JH Annotated Anodyne O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000068250269 JH Annotated Anodyne Cc1nc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)ccc1F ZINC000068250282 JH Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1 ZINC000068266872 JH Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)cc1C(C)(C)C ZINC000068267233 JH Annotated Anodyne CN(C)CCOc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1 ZINC000068267346 JH Annotated Anodyne Cc1ccc(C(=O)c2oc3cc4occ(/C=C5/C(=O)NC(=O)N=C5O)c(=O)c4cc3c2C)cc1 ZINC000069062014 JH Annotated Clean COc1ccc(C(=O)c2oc3cc4occ(/C=C5/C(=O)NC(=O)N=C5O)c(=O)c4cc3c2C)cc1 ZINC000069062029 JH Annotated Clean CC1=C2[C@H]3OC(=O)[C@H](C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]2[C@@H]1[C@@]1(C)C=C[C@]23[C@@H]1[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]3(C)O ZINC000070454555 JH Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@]4(O)COC(=O)C(C)C ZINC000070455266 JH Annotated Anodyne in-vitro biogenic CC1=C2[C@@H](O)C[C@H]3[C@@](C)(CC[C@@]4(C)[C@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O ZINC000070455296 JH Annotated Mild in-vitro biogenic Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccn[nH]4)c3F)c3ccccc23)no1 ZINC000070461165 JH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(-c4ccn[nH]4)ccc3F)c3ccccc23)no1 ZINC000070461166 JH Annotated Anodyne CCC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C ZINC000070718761 JH Annotated Anodyne CC(C)[C@H](CO)Nc1nc(NCc2cccc(I)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719283 JH Annotated Anodyne Cc1cccc(CN2C(=O)COc3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc32)c1 ZINC000070725347 JH Annotated Anodyne Cc1noc(C)c1CN1C(=O)COc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)ccc21 ZINC000070725351 JH Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000071281947 JH Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CNS(=O)(=O)c4ccc(Cl)c(Cl)c4)nn3)c2c1 ZINC000071282122 JH Annotated Anodyne CCN1CCN(C(=O)c2c(C)[nH]c(/C=C3\C(=O)N(CCCN(C)C)c4ccc(Cl)cc43)c2C)CC1 ZINC000071294213 JH Annotated Anodyne CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)nc1C(F)(F)F ZINC000071294368 JH Annotated Mild O=C(c1cc(-c2ccc3c(c2)OCCO3)n[nH]1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071294456 JH Annotated Clean O=C(c1cc(-c2ccc3c(c2)OCCO3)n[nH]1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071294457 JH Annotated Clean Cc1cnc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(S(=O)(=O)C(C)C)cc2=O)cn1 ZINC000071294477 JH Annotated Anodyne CCCCNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071294495 JH Annotated Bother CCN(CC)Cc1ccnc(F)c1CNC(=O)c1cnc2cc(I)ccc2n1 ZINC000071295168 JH Annotated Anodyne CC[C@@H](C)NC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071295340 JH Annotated Bother CC[C@H](C)NC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071295341 JH Annotated Bother OCCN(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1 ZINC000071295560 JH Annotated Anodyne CSc1nc(N)c2c(n1)NC1=C(C(=O)OC1)[C@@H]2c1cc(Br)cc(Br)c1 ZINC000071295830 JH Annotated Anodyne CSc1nc(N)c2c(n1)NC1=C(C(=O)OC1)[C@H]2c1cc(Br)cc(Br)c1 ZINC000071295831 JH Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CNS(=O)(=O)c4ccccc4C(F)(F)F)nn3)c2c1 ZINC000071295905 JH Annotated Anodyne COc1ccc([C@H]2CN(CCCN(C)S(C)(=O)=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296476 JH Annotated Anodyne COc1cc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)cc(Br)c1OC ZINC000071296709 JH Annotated Clean COc1ccc(OC(F)(F)F)cc1Cn1c(C(=O)NCC2(CO)CC2)cc2cc(C#N)ccc21 ZINC000071296839 JH Annotated Mild CCn1c(=O)n([C@H]2CCCN(c3cc(-c4cc5ccccc5o4)nc(N)n3)C2)c2ncccc21 ZINC000071296861 JH Annotated Anodyne O=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CC[C@H](c4cn[nH]c4)C3)c3ccccc32)cc1 ZINC000071296935 JH Annotated Anodyne O=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CC[C@@H](c4cn[nH]c4)C3)c3ccccc32)cc1 ZINC000071296936 JH Annotated Anodyne O=C(NC1CC1)c1ccc(N2CCN(C(=O)N3CC[C@H](c4cn[nH]c4)C3)c3ccccc32)cc1 ZINC000071315986 JH Annotated Anodyne O=C(NC1CC1)c1ccc(N2CCN(C(=O)N3CC[C@@H](c4cn[nH]c4)C3)c3ccccc32)cc1 ZINC000071315987 JH Annotated Anodyne COc1ccc(/C=C2\CN(C(=O)CCSCCO)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000071316093 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@@](O)(c4cc(Br)ccc43)[C@@]2(C)SC1=O ZINC000071316324 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@@](O)(c4cc(Br)ccc43)[C@]2(C)SC1=O ZINC000071316325 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@](O)(c4cc(Br)ccc43)[C@@]2(C)SC1=O ZINC000071316326 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@](O)(c4cc(Br)ccc43)[C@]2(C)SC1=O ZINC000071316327 JH Annotated Mild COc1ccc(OC(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)O)cc2cc(C#N)ccc21 ZINC000071316362 JH Annotated Mild Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)c(-c4cn[nH]c4)c3)c3ccccc23)no1 ZINC000071316483 JH Annotated Anodyne Cc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cn23)no1 ZINC000071316895 JH Annotated Anodyne C=C1C[C@@H](O)/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 ZINC000071317076 JH Annotated Mild CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1 ZINC000071317244 JH Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)ccn2)cc1 ZINC000071317495 JH Annotated Anodyne CN(C)CCNc1nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c2cc1-c1ccccc1 ZINC000071318071 JH Annotated Reactive O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1nc(N2CCC(F)(F)C2)c2cnccn12 ZINC000071318183 JH Annotated Anodyne O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1nc(N2CCC(F)(F)C2)c2cnccn12 ZINC000071318184 JH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(-c4cn[nH]c4)ccc3F)c3ccccc23)no1 ZINC000071318364 JH Annotated Anodyne CN(C)CCNc1cc(Cc2ccccc2)c2c(N)c(C(=O)N/N=C/c3cccn3C)sc2n1 ZINC000071318477 JH Annotated Reactive CN(C)CCNc1nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c2cc1Cc1ccccc1 ZINC000071318485 JH Annotated Reactive CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(C(=O)N/N=C/c3cccn3C)sc2n1 ZINC000071318845 JH Annotated Reactive CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 ZINC000071318947 JH Annotated Anodyne O=C1c2ncc3c(c(CCCOC4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071319018 JH Annotated Clean C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(=O)CCC)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(=O)CCC)[C@H]1C[C@H]3O ZINC000071319102 JH Annotated Mild Cc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5cc(F)cc(F)c5)c4)cn23)no1 ZINC000071319163 JH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1 ZINC000071319392 JH Annotated Anodyne CNC(=O)c1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071329204 JH Annotated Anodyne CC1=C2OCCCCCCN3C(=O)[C@@](O)(c4cc(I)ccc43)[C@@]2(C)SC1=O ZINC000071329296 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@@](O)(c4cc(I)ccc43)[C@]2(C)SC1=O ZINC000071329297 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@](O)(c4cc(I)ccc43)[C@@]2(C)SC1=O ZINC000071329298 JH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@](O)(c4cc(I)ccc43)[C@]2(C)SC1=O ZINC000071329299 JH Annotated Mild C=C1C(=O)[C@@]23[C@H]4C[C@H](OC(C)=O)[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1[C@@](C)(COC(C)=O)CCC[C@]14C ZINC000071329434 JH Annotated Mild COc1cc(O)c2c(c1Cl)C(=O)OCCCCC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000071329832 JH Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1cncc2ccccc12 ZINC000071330003 JH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3F)c3ccccc23)no1 ZINC000071330154 JH Annotated Anodyne COc1ccc(S(=O)(=O)n2c(C)c(C(=O)N3CCCNCC3)c3cc(C)ccc32)c(C)c1C ZINC000071340583 JH Annotated Anodyne CC(=O)OCCc1sc(S(=O)(=O)/N=C(\O)Nc2cc(C(F)(F)F)cc(C)n2)cc1C ZINC000071340849 JH Annotated Mild O[C@@H]1C[N+]2(Cc3ccc(CCc4ccc(C[N+]56CCC(CC5)[C@H](O)C6)cc4)cc3)CCC1CC2 ZINC000071341044 JH Annotated Bother O[C@@H]1C[N+]2(Cc3ccc(CCc4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 ZINC000071341045 JH Annotated Bother O[C@H]1C[N+]2(Cc3ccc(CCc4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 ZINC000071341046 JH Annotated Bother COCCc1sc(S(=O)(=O)/N=C(\O)Nc2cc(Br)cc3[nH]ncc23)cc1C ZINC000071341088 JH Annotated Mild CN(C(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000071341963 JH Annotated Anodyne CN1C(=O)[C@@]23CCCCN2C[C@]12[C@H](CC(C)(C)[C@@]21C(=O)Nc2c1ccc1c2OC=CC(C)(C)O1)C3 ZINC000071404511 JH Annotated Anodyne CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1 ZINC000071405071 JH Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1 ZINC000071418541 JH Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CC[C@H](c4ccccc4)C3)no2)cc1S(=O)(=O)N1CCCC1 ZINC000071928041 JH Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)no2)cc1S(=O)(=O)N1CCCC1 ZINC000071928042 JH Annotated Anodyne COc1cc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)co2)cc(OC)c1OC ZINC000072101164 JH Annotated Bother O=S(=O)(C1CCCCC1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101687 JH Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101688 JH Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101832 JH Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101833 JH Annotated Anodyne CC(C)CS(=O)(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101932 JH Annotated Anodyne CC(C)CS(=O)(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101933 JH Annotated Anodyne CC(C)CS(=O)(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102361 JH Annotated Anodyne CC(C)CS(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102362 JH Annotated Anodyne O=S(=O)(NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 ZINC000072103524 JH Annotated Anodyne O=S(=O)(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 ZINC000072103525 JH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103811 JH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103812 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000072104306 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 ZINC000072104307 JH Annotated Anodyne COc1ccccc1C(=O)N1[C@H](C(C)C)COc2cc(Br)ccc2S1(=O)=O ZINC000072104668 JH Annotated Anodyne C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(F)cc2Br)C1=O ZINC000072105544 JH Annotated Anodyne C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(F)cc2Br)C1=O ZINC000072105545 JH Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccc(Cl)nc1)C1CCCCC1 ZINC000072105546 JH Annotated Anodyne N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 ZINC000072105953 JH Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000072106364 JH Annotated Anodyne O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccccc2Oc2ccccc2)O1 ZINC000072106854 JH Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1O ZINC000072107747 JH Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1cccc(Cl)c1O ZINC000072107748 JH Annotated Reactive COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000072108225 JH Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(C)cc1O ZINC000072109218 JH Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(C)cc1O ZINC000072109219 JH Annotated Reactive O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@@H]4C[C@@H]4c4nnn[nH]4)cc3)c2)c2ncccc2c1=O ZINC000072109628 JH Annotated Anodyne O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@H]4C[C@@H]4c4nnn[nH]4)cc3)c2)c2ncccc2c1=O ZINC000072109629 JH Annotated Anodyne O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@@H]4C[C@H]4c4nnn[nH]4)cc3)c2)c2ncccc2c1=O ZINC000072109630 JH Annotated Anodyne O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@H]4C[C@H]4c4nnn[nH]4)cc3)c2)c2ncccc2c1=O ZINC000072109631 JH Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1O ZINC000072109841 JH Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1O ZINC000072109842 JH Annotated Reactive C[C@@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OCc5ccccc5)nn4C)[nH]c3C2=N1 ZINC000072110835 JH Annotated Anodyne C[C@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OCc5ccccc5)nn4C)[nH]c3C2=N1 ZINC000072110836 JH Annotated Anodyne CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(Br)c(Br)c1O ZINC000072111250 JH Annotated Clean CCOC(=O)CC1=C(N(C(C)=O)C(C)=O)Oc2ccc(-c3ccccc3)cc2[C@@H]1C(=O)OCC ZINC000072112982 JH Annotated Anodyne CCOC(=O)CC1=C(N(C(C)=O)C(C)=O)Oc2ccc(-c3ccccc3)cc2[C@H]1C(=O)OCC ZINC000072112983 JH Annotated Anodyne C=CCOC(=O)C[C@@H]1C(C(=O)OCC=C)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072114157 JH Annotated Mild C=CCOC(=O)C[C@H]1C(C(=O)OCC=C)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072114158 JH Annotated Mild Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccc(Br)cc1 ZINC000072116362 JH Annotated Reactive CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(N(C)C)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072116696 JH Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(N(C)C)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072116697 JH Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072117082 JH Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072117083 JH Annotated Anodyne Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 ZINC000072117995 JH Annotated Anodyne Cc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 ZINC000072117996 JH Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)N3CCN(C[C@@H]4CCCO4)CC3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072118083 JH Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)N3CCN(C[C@H]4CCCO4)CC3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072118084 JH Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCCC1)c1ccc(Br)cn21 ZINC000072118193 JH Annotated Clean CN1CCN(C2CCN(C(=O)CC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000072118326 JH Annotated Reactive CCOc1ccc2c(=O)cc(CC)oc2c1CN1CCN(C(=O)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000072118761 JH Annotated Anodyne COC(=O)c1csc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)n1 ZINC000072118985 JH Annotated Mild COC(=O)c1csc(CN2CC(C)(C)[C@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)n1 ZINC000072118986 JH Annotated Mild O=C1c2cccnc2C(=O)c2c1c(C(=O)OCC(F)(F)F)c1ccc(Br)cn21 ZINC000072119680 JH Annotated Clean Cc1ccc([C@H]2Oc3ccc([N+](=O)[O-])cc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072119748 JH Annotated Bother Cc1ccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072119749 JH Annotated Bother CC(C)[C@H](O)c1cc(C(=O)Nc2cccc(C#Cc3cc(C(N)=O)c(NC(N)=O)s3)c2)cs1 ZINC000072119868 JH Annotated Mild CC(C)[C@@H](O)c1cc(C(=O)Nc2cccc(C#Cc3cc(C(N)=O)c(NC(N)=O)s3)c2)cs1 ZINC000072119869 JH Annotated Mild CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000072120515 JH Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000072120516 JH Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072121416 JH Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072121417 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072122619 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072122620 JH Annotated Anodyne Cc1cnc([C@@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000072122695 JH Annotated Anodyne Cc1cnc([C@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000072122696 JH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000072122837 JH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000072122838 JH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000072122922 JH Annotated Mild COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000072122946 JH Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000072122947 JH Annotated Reactive CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCN1CCN(C(=O)CN(C)C)CC1 ZINC000072123283 JH Annotated Anodyne CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCN1CCN(C(=O)CN(C)C)CC1 ZINC000072123284 JH Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000072123572 JH Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000072123573 JH Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000072124267 JH Annotated Bother C[C@@H](c1ccccc1)N1CCN(CN2C(=O)N[C@](c3ccc(Cl)cc3)(C3CC3)C2=O)CC1 ZINC000072124582 JH Annotated Anodyne C[C@H](c1ccccc1)N1CCN(CN2C(=O)N[C@](c3ccc(Cl)cc3)(C3CC3)C2=O)CC1 ZINC000072124583 JH Annotated Anodyne C[C@@H](c1ccccc1)N1CCN(CN2C(=O)N[C@@](c3ccc(Cl)cc3)(C3CC3)C2=O)CC1 ZINC000072124584 JH Annotated Anodyne C[C@H](c1ccccc1)N1CCN(CN2C(=O)N[C@@](c3ccc(Cl)cc3)(C3CC3)C2=O)CC1 ZINC000072124585 JH Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)c3ccccc3C4=O)cc2c1 ZINC000072124912 JH Annotated Reactive CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(F)cc43)s2)[C@H](c2ccccc2)NC(=S)N1 ZINC000072125009 JH Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(F)cc43)s2)[C@@H](c2ccccc2)NC(=S)N1 ZINC000072125010 JH Annotated Mild C=C1C(=O)C[C@H]2[C@H](OC(=O)C[C@](C)(O)CC)[C@@H]1[C@H](OC(=O)/C=C(\C)CC)[C@]1(C)C(=O)C=C[C@H]1[C@@H]2C ZINC000072125128 JH Annotated Mild C=C1C(=O)C[C@H]2[C@H](OC(=O)C[C@@](C)(O)CC)[C@@H]1[C@H](OC(=O)/C=C(\C)CC)[C@]1(C)C(=O)C=C[C@H]1[C@@H]2C ZINC000072125129 JH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC000072125719 JH Annotated Mild COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072126234 JH Annotated Anodyne COc1ccc(C(=O)O[C@H]2CC(C)=C[C@@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072126235 JH Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O ZINC000072127587 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1ccc(Br)cc1 ZINC000072129983 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1ccc(Br)cc1 ZINC000072129984 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1cccc(Br)c1 ZINC000072135041 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1cccc(Br)c1 ZINC000072135042 JH Annotated Anodyne CC(C)[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1C(=O)c1ccc(F)cc1F ZINC000072135710 JH Annotated Anodyne CC(C)[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1C(=O)c1ccc(F)cc1F ZINC000072135711 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072135786 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072135787 JH Annotated Anodyne COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072136227 JH Annotated Anodyne COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000072136228 JH Annotated Anodyne CCCCn1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136670 JH Annotated Anodyne CCCCn1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136671 JH Annotated Anodyne CCCC(=O)O[C@@H]1CC[C@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@H]2[C@H](C)[C@H](O)C[C@H](OC(C)=O)[C@@]21C ZINC000072136696 JH Annotated Anodyne CCCC(=O)O[C@@H]1CC[C@@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@H]2[C@H](C)[C@H](O)C[C@H](OC(C)=O)[C@@]21C ZINC000072136697 JH Annotated Anodyne COc1ccc(C(=O)N2[C@H](C(C)C)COc3cc(Br)ccc3S2(=O)=O)cc1 ZINC000072136942 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 ZINC000072137559 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 ZINC000072137560 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(C)c1 ZINC000072137600 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H]1c1cccc(C)c1 ZINC000072137601 JH Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=S)NCCc1ccccc1 ZINC000072137608 JH Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000072139323 JH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000072139324 JH Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N1C/C=C\COc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000072139511 JH Annotated Anodyne O=S(=O)(c1c(F)cccc1F)N(CCc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000072139677 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1cccc(F)c1 ZINC000072139817 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1cccc(F)c1 ZINC000072139818 JH Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1cccc(C)c1O ZINC000072139898 JH Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1cccc(C)c1O ZINC000072139899 JH Annotated Reactive O=C1c2cccnc2C(=O)c2c1c(C(=O)NCc1ccccc1)c1ccc(Br)cn21 ZINC000072140942 JH Annotated Clean CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1cccc(Br)c1 ZINC000072141104 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1cccc(Br)c1 ZINC000072141105 JH Annotated Anodyne O=C1/C(=C/c2ccccc2)CN2C[C@]13[C@@H](c1ccccc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072141413 JH Annotated Mild O=C1/C(=C/c2ccccc2)CN2C[C@@]13[C@@H](c1ccccc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072141414 JH Annotated Mild CCOC(=O)[C@H](C)N1[C@H](C)[C@H](c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072142648 JH Annotated Anodyne Cc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000072142781 JH Annotated Bother CCCN(CCC)c1cc2nc([S@@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(C)=O ZINC000072173108 JH Annotated Anodyne CCCN(CCC)c1cc2nc([S@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(C)=O ZINC000072173109 JH Annotated Anodyne CC1=CC(=O)[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)[C@@H]2[C@H]3C[C@H]4C[C@@]12C[C@@]4(C)O3 ZINC000072173443 JH Annotated Anodyne N#Cc1c(-c2ccc(OCC(=O)NCCc3ccncc3)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072175148 JH Annotated Mild N#CCSc1nnc(Cc2c(NCCC(=O)O)sc3c2CCCC3)n1NC(=O)c1ccccc1 ZINC000072175368 JH Annotated Mild N#Cc1c(-c2ccc(C(=O)NCCc3ccncc3)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072175447 JH Annotated Mild Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072176713 JH Annotated Mild Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072176714 JH Annotated Mild N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@H]3C2)c(Cl)c1 ZINC000072176802 JH Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2c(Cl)cccc2Cl)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177946 JH Annotated Mild C[C@]1([C@@H](O)c2ccc(Cl)cc2)NC(=S)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O ZINC000072178154 JH Annotated Bother COc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Br)=C3Br)cc1OC ZINC000072178173 JH Annotated Mild O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000072178312 JH Annotated Bother CCCCOc1c(OC)c([N+](=O)[O-])cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 ZINC000072178968 JH Annotated Bother O=C(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072179881 JH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1OCc1ccccc1)C2 ZINC000072179902 JH Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC4CCC4)c3c2)c1F ZINC000072180054 JH Annotated Anodyne CC(C)=CC[C@@H](OC(=O)C[C@](C)(O)c1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072180068 JH Annotated Mild CC(C)=CC[C@@H](OC(=O)C[C@@](C)(O)c1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072180069 JH Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccccc1C)C(=O)O ZINC000072180126 JH Annotated Anodyne CCn1cc(-c2nnc(S)n2/N=C/c2cccc(Br)c2)c(=O)c2ccc(C)nc21 ZINC000072180161 JH Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2ccc(Br)cc2)c(=O)c2ccc(C)nc21 ZINC000072180165 JH Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC(F)(F)F)c3c2)c1F ZINC000072180267 JH Annotated Anodyne O=S(=O)(/C=C/c1cccc(F)c1)Nc1cccc(OCc2cn(Cc3cccnc3)nn2)c1 ZINC000072180434 JH Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2c[nH]c(S)n2)cc1-c1ccccc1C)C(=O)O ZINC000072180562 JH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C(F)(F)F)c3c2)c1F ZINC000072180708 JH Annotated Anodyne O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(Br)c(-c3cccc(F)c3)c21 ZINC000072180907 JH Annotated Reactive CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl ZINC000072181120 JH Annotated Anodyne CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)cc1 ZINC000072181436 JH Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)cc1 ZINC000072181437 JH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1C(F)(F)F ZINC000072181507 JH Annotated Anodyne CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3OC)c2C)cc1 ZINC000072181556 JH Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3OC)c2C)cc1 ZINC000072181557 JH Annotated Anodyne O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cccnc4)nn3)c2)c1 ZINC000072182639 JH Annotated Bother CNC(=O)C[C@@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1 ZINC000072182731 JH Annotated Anodyne CNC(=O)C[C@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1 ZINC000072182732 JH Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072182867 JH Annotated Anodyne CS(=O)(=O)c1ccc(N2CCC(N[C@@H](c3cccnc3)c3cnn(CC(F)(F)F)c3)CC2)cc1 ZINC000072185278 JH Annotated Anodyne CS(=O)(=O)c1ccc(N2CCC(N[C@H](c3cccnc3)c3cnn(CC(F)(F)F)c3)CC2)cc1 ZINC000072185279 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186111 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186112 JH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186327 JH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186328 JH Annotated Anodyne C=C1N(CC(=O)c2ccccc2)C(=O)c2c(nc([C@@H]3CC[C@H]4NCC[C@H]43)n2CC=C(C)C)N1C ZINC000072190107 JH Annotated Anodyne investigational C=C1N(CC(=O)c2ccccc2)C(=O)c2c(nc([C@H]3CC[C@H]4NCC[C@@H]34)n2CC=C(C)C)N1C ZINC000072190108 JH Annotated Anodyne investigational COCCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 ZINC000072315822 JH Annotated Anodyne CC(=O)N1CCC(Nc2cc(N3CCCC3)nc3cc(-c4nc5cc(C)ccc5nc4C)nn23)CC1 ZINC000072316502 JH Annotated Anodyne NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@@H](c4ccsc4)N4CCCC4)cc23)c1 ZINC000072317673 JH Annotated Anodyne NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@H](c4ccsc4)N4CCCC4)cc23)c1 ZINC000072317674 JH Annotated Anodyne CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000072317907 JH Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2n1C ZINC000072323409 JH Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 ZINC000072323607 JH Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CC(C)C ZINC000073067583 JH Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CC(C)C ZINC000073067586 JH Annotated Mild COC(=O)[C@@H](Cc1ccccc1)N1C/C=C/COc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000073129229 JH Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C/C=C/COc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000073129233 JH Annotated Anodyne N#C[C@H](CCCCN)NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000073139394 JH Annotated Mild O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccc(O)c(O)c1 ZINC000073140008 JH Annotated Reactive COc1ccc(C(=O)c2oc3cc4occ(/C=C5/C(=O)NC(=S)N=C5O)c(=O)c4cc3c2C)cc1 ZINC000073140110 JH Annotated Clean Cc1c(C(=O)c2ccccc2)oc2cc3occ(/C=C4/C(=O)NC(=S)N=C4O)c(=O)c3cc12 ZINC000073140115 JH Annotated Clean O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000073140588 JH Annotated Reactive C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 ZINC000073156979 JH Annotated Reactive O=C(CSc1nnc(-c2cccc(NC(=S)NCCO)c2)o1)c1ccc(Br)cc1 ZINC000073157463 JH Annotated Anodyne COc1c(Br)cc(Br)c(CCN2C=[N+](C)CCC2)c1Br ZINC000073161167 JH Annotated Anodyne CCN(CC)C(=O)c1ccc(C#Cc2cc(Cl)ccc2OCC(=O)O)cc1S(=O)(=O)C(C)C ZINC000073162546 JH Annotated Mild O=C(Nc1cccc(Cl)c1)c1cccnc1NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)CO1 ZINC000073163191 JH Annotated Anodyne CN1CCc2nc(C(=O)Nc3cc(C(=O)O)ccc3CCC(=O)Nc3ccc(Cl)cn3)sc2C1 ZINC000073163707 JH Annotated Anodyne O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000073167247 JH Annotated Reactive CC(=O)Nc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(O)nc3c2=O)cc1 ZINC000073196318 JH Annotated Anodyne CO[C@]1(C)O[C@H]2[C@@H](OC/C=C(\C)CCC=C(C)C)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073196809 JH Annotated Mild CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc(-c4ccccc4)cc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073196811 JH Annotated Mild C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CC(C)(C)CC1=O ZINC000073196998 JH Annotated Bother C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CC(C)(C)CC1=O ZINC000073196999 JH Annotated Bother COc1cc(/C=C2\CCCN3C2=NO[C@]3(CNCCO)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000073197152 JH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccc(C#N)cc2)ccc1-n1cnc(C)c1 ZINC000073197924 JH Annotated Mild COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2ccc(C#N)cc2)ccc1-n1cnc(C)c1 ZINC000073197925 JH Annotated Mild O=C(NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198086 JH Annotated Bother O=C(NCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198187 JH Annotated Bother COc1ccc(-c2cnnn2-c2cc(Br)c(OC)c(Br)c2)c(O)c1O ZINC000073198401 JH Annotated Clean O=C(COCc1c(-c2ccccc2)no[n+]1[O-])Nc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000073198456 JH Annotated Mild O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000073198636 JH Annotated Bother CN(C)CCCOc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 ZINC000073198658 JH Annotated Anodyne O=C(NCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073199184 JH Annotated Bother CC(=O)Oc1c(Cl)cc(Cl)cc1[C@@H]1OC(c2ccc3c(c2)OCCO3)=NN1C(C)=O ZINC000073199273 JH Annotated Anodyne CC(=O)Oc1c(Cl)cc(Cl)cc1[C@H]1OC(c2ccc3c(c2)OCCO3)=NN1C(C)=O ZINC000073199275 JH Annotated Anodyne Cc1ccc(/N=C(O)/C(C#N)=c2\s/c(=C\c3ccccc3O)c(=O)n2-c2ccccc2)cc1 ZINC000073199786 JH Annotated Mild Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOCC2)cc1 ZINC000073220044 JH Annotated Anodyne Cc1c(NCc2nnc(Nc3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000073220994 JH Annotated Anodyne O=C(Cn1sc2ccccc2c1=O)Nc1cccc(OCc2cn(CC(=O)c3ccccc3)nn2)c1 ZINC000073221367 JH Annotated Anodyne O=C(Nc1cnc2[nH]nc(C3CC3)c2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1Cl ZINC000073222713 JH Annotated Anodyne O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1ccc2ccccc2c1 ZINC000073223479 JH Annotated Anodyne Cc1c(CC(=O)OCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000073223648 JH Annotated Clean O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1ccc(C(F)(F)F)cc1 ZINC000073223831 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000073224149 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000073224150 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000073224151 JH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000073224152 JH 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)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000073224218 JH Annotated Anodyne in-vitro CC(=O)C1=NN(c2ccccc2)[C@@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3ccccc3N12 ZINC000073224447 JH Annotated Anodyne CC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(C)=O)N3c3ccccc3N12 ZINC000073224448 JH Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1CCCN1CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073224779 JH Annotated Anodyne Cc1cc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4O)c(=O)c23)ccc1Cl ZINC000073237833 JH Annotated Reactive O=C(Nc1cc(-c2cc3c([nH]2)[C@@]2(CCCNC2)CNC3=O)ccn1)c1cccc(C(F)(F)F)c1 ZINC000073240291 JH Annotated Anodyne O=C(Nc1cc(-c2cc3c([nH]2)[C@]2(CCCNC2)CNC3=O)ccn1)c1cccc(C(F)(F)F)c1 ZINC000073240294 JH Annotated Anodyne CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c21 ZINC000073257530 JH Annotated Mild C/C(=N\OCc1nc2ccccc2c(=O)n1/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000073274102 JH Annotated Mild C/C(=N/OCc1nc2ccccc2c(=O)n1/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000073274106 JH Annotated Mild C[N+](C)(CCO)Cc1cn(CCCCn2c3ccccc3c3ccc4c(C=O)c[nH]c4c32)nn1 ZINC000073278488 JH Annotated Bother CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000073281562 JH Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CCN(CCNCCCc2nc3ccccc3[nH]2)CC1 ZINC000073292233 JH Annotated Anodyne CC(C)CNCCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCNCC(C)C)cccc1C2=O ZINC000073293450 JH Annotated Clean CC(C)(C)N1C(=O)N/[N+](=C(C(/c2ccccc2)=[N+]2/NC(=O)N(C(C)(C)C)C2=O)\c2ccccc2)C1=O ZINC000073294781 JH Annotated Anodyne COCCC#Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N3CC(F)(F)CN=C32)c1 ZINC000073295456 JH Annotated Mild COCCC#Cc1cccc([C@]2(c3ccc(OC(F)F)cc3)N=C(N)N3CC(F)(F)CN=C32)c1 ZINC000073295460 JH Annotated Mild NC1=N[C@](c2ccc(OC(F)F)cc2)(c2cccc(OCCCF)c2)C2=NCC(F)(F)CN12 ZINC000073295465 JH Annotated Anodyne NC1=N[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCCF)c2)C2=NCC(F)(F)CN12 ZINC000073295467 JH Annotated Anodyne COc1ccc(Cn2c3c(cc(OS(=O)(=O)C(F)(F)F)c2=O)Cc2ccccc2-3)cc1 ZINC000073295924 JH Annotated Unstable COCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 ZINC000073298537 JH Annotated Anodyne C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073310001 JH Annotated Bother C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073310002 JH Annotated Bother C[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310184 JH Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310186 JH Annotated Anodyne CSc1nc2ccccc2c(=O)n1/N=C1\C(=O)N(CN2CCCCC2)c2ccc(Cl)cc21 ZINC000073312809 JH Annotated Mild C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000073315450 JH Annotated Mild C[C@H]([C@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000073315453 JH Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccc(CO)cc2)=CC(=O)C[C@H]1C ZINC000073315606 JH Annotated Mild CN1C[C@H](S(=O)(=O)c2ccccc2)C[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000073329910 JH Annotated Anodyne CO[C@@]1(C)C[C@@H]2OCC3=CCC[C@@H](CCOC(=O)Cc4cc(=O)oc5cc(N(C)C)ccc45)[C@]32O1 ZINC000073331829 JH Annotated Anodyne CO[C@]1(C)C[C@@H]2OCC3=CCC[C@@H](CCOC(=O)Cc4cc(=O)oc5cc(N(C)C)ccc45)[C@]32O1 ZINC000073331832 JH Annotated Anodyne O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1=S ZINC000073333597 JH Annotated Mild O=C(/N=C1\SCCN1C(=O)C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F ZINC000073353435 JH Annotated Mild CCN(/N=C1\C[C@@H]2C=CCN(C2)C(=O)Cc2c1[nH]c1ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000073354488 JH Annotated Mild CN(C(=O)c1cc2c(s1)-c1ccc(C(=O)NCCN)cc1OCC2)c1ccccc1Cl ZINC000073389247 JH Annotated Anodyne C[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073389702 JH Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073389705 JH Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(Br)cc2)C=C[C@H]1OC(=O)OCC ZINC000008020003 JH Annotated Mild CCOC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(Br)cc2)C=C[C@@H]1OC(=O)OCC ZINC000008020012 JH Annotated Mild CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(Br)cc2)C=C[C@@H]1OC(=O)OCC ZINC000008020021 JH Annotated Mild CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13 ZINC000008035407 JH Annotated Clean CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(c3cccc(Oc4ccccc4)c3)C(=O)[C@H]12 ZINC000008035823 JH Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Oc5ccccc5)c4)C(=O)[C@H]3CC[C@@H]12 ZINC000008035853 JH 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(C)(C)C)C(=O)[C@H]12 ZINC000008035937 JH Annotated Mild COc1cccc(C2(CSc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)OCCO2)c1 ZINC000008411497 JH Annotated Anodyne O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008438915 JH Annotated Anodyne COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C5=C(C)C(=O)C=C[C@]5(C)CC[C@@H]34)[C@H](C)C2)c1 ZINC000082051156 JH Annotated Mild COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C5=C(C)C(=O)C=C[C@]5(C)CC[C@@H]34)[C@@H](C)C2)c1 ZINC000082051158 JH Annotated Mild COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)[C@@H](C)C2)c1 ZINC000082051531 JH Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)[C@@H](C)C2)c1 ZINC000082051533 JH Annotated Anodyne COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2C)cc1 ZINC000082051634 JH Annotated Clean C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@@H]3O[C@@]132 ZINC000082051647 JH Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 ZINC000082053232 JH Annotated Reactive CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 ZINC000082053234 JH Annotated Reactive C=CCN(C)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066266 JH Annotated Mild C=CCN(C)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066290 JH Annotated Mild C=CCN(C)c1nc(NCCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066357 JH Annotated Mild COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066507 JH Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(C)CCO)n2)cc1 ZINC000082066568 JH Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067198 JH Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067200 JH Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067266 JH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067279 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)N4CCCNCC4)C3)co2)cc1 ZINC000082069456 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N4CCCNCC4)C3)co2)cc1 ZINC000082069457 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCCCN(C)C)C2)cs1 ZINC000082069688 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCCCN(C)C)C2)cs1 ZINC000082069689 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)cs1 ZINC000082069771 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)cs1 ZINC000082069772 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCOCCN(C)C)cc2)cs1 ZINC000082069914 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCN(C)C)cc2)cs1 ZINC000082069916 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C(=O)N[C@@H]3CCCCNC3=O)C(C)C)co2)cc1 ZINC000082069952 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C(=O)N[C@@H]3CCCCNC3=O)C(C)C)co2)cc1 ZINC000082069953 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C(=O)N[C@H]3CCCCNC3=O)C(C)C)co2)cc1 ZINC000082069954 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C(=O)N[C@H]3CCCCNC3=O)C(C)C)co2)cc1 ZINC000082069955 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H](NC(=O)c2coc(-c3ccc(C)cc3)n2)C(C)C)c1OC ZINC000082069971 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H](NC(=O)c2coc(-c3ccc(C)cc3)n2)C(C)C)c1OC ZINC000082069972 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H](NC(=O)c2coc(-c3ccccc3C)n2)C(C)C)c1OC ZINC000082069996 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H](NC(=O)c2coc(-c3ccccc3C)n2)C(C)C)c1OC ZINC000082069997 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CO)C(C)C)cs1 ZINC000082070042 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CO)C(C)C)cs1 ZINC000082070043 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCc2ccccc2N)C(C)C)cs1 ZINC000082070054 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCc2ccccc2N)C(C)C)cs1 ZINC000082070055 JH Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN ZINC000082070201 JH Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN ZINC000082070202 JH Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCNCC1 ZINC000082070205 JH Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCNCC1 ZINC000082070206 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082070562 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082070563 JH Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN(C)C ZINC000082070886 JH Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCN(C)C ZINC000082070887 JH Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)NCCC1=CCCCC1 ZINC000082070978 JH Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)NCCC1=CCCCC1 ZINC000082070979 JH Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)NCCC1=CCCCC1 ZINC000082071001 JH Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)NCCC1=CCCCC1 ZINC000082071002 JH Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000082071430 JH Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000082071433 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN)cs1 ZINC000082071645 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN)cs1 ZINC000082071647 JH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OCCN(C)C)co2)cc1 ZINC000082071720 JH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)OCCN(C)C)co2)cc1 ZINC000082071722 JH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN(C)C)co1 ZINC000082071776 JH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN(C)C)co1 ZINC000082071778 JH Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000082071862 JH Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000082071863 JH Annotated Anodyne CCCCNC(=O)CNC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082072168 JH Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NCCCN1CCCC1 ZINC000082072188 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082072211 JH Annotated Anodyne CN(C)C(C)(C)COC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072352 JH Annotated Anodyne CN(C)CCCCOC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072353 JH Annotated Anodyne CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072355 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082072683 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082072684 JH Annotated Anodyne CN(C)CCOC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074082 JH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCc2ccco2)co1 ZINC000082074250 JH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCc2ccco2)co1 ZINC000082074251 JH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082074585 JH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082074586 JH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCC(C)(C)N(C)C)co1 ZINC000082074625 JH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCC(C)(C)N(C)C)co1 ZINC000082074626 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000082074677 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000082074679 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082074770 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082074772 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCCNCC2)cs1 ZINC000082074909 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCCOCCN(C)C)cs1 ZINC000082075083 JH Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCCN(C)C)cs1 ZINC000082075088 JH Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082081005 JH Annotated Anodyne O=C(N[C@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082081006 JH Annotated Anodyne CN(C)CCCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082081083 JH Annotated Bother CN(C)CCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082081084 JH Annotated Bother CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081269 JH Annotated Bother CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081270 JH Annotated Bother CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081354 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081355 JH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C3)cs2)c1 ZINC000082081548 JH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCC(C)(C)N(C)C)C3)cs2)c1 ZINC000082081549 JH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCCCN(C)C)C3)cs2)c1 ZINC000082081550 JH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCCCN(C)C)C3)cs2)c1 ZINC000082081551 JH Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081607 JH Annotated Bother CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081611 JH Annotated Bother O=C(OCCc1ccccn1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081612 JH Annotated Bother O=C(OCCc1ccccn1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081613 JH Annotated Bother O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000082081692 JH Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000082081694 JH Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)cc1 ZINC000082081739 JH Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)cc1 ZINC000082081740 JH Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082081876 JH Annotated Anodyne CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081919 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)C)c1OC ZINC000082081921 JH Annotated Bother COc1cccc(CNC(=O)[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)C)c1OC ZINC000082081923 JH Annotated Bother CCCCOCCCNC(=O)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000082081926 JH Annotated Bother CCCCOCCCNC(=O)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000082081930 JH Annotated Bother CNc1nc2cnc(Nc3ccc(OC)cc3OC)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082005 JH Annotated Anodyne CCCCOCCCNC(=O)[C@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082067 JH Annotated Anodyne CCCCOCCCNC(=O)[C@@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082068 JH Annotated Anodyne CCCCOCCCNC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082150 JH Annotated Bother CCCCOCCCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082151 JH Annotated Bother CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1 ZINC000082082547 JH Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082620 JH Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082624 JH Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(/C(O)=N/CCO)c4)cn23)cc1 ZINC000082082693 JH Annotated Mild CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCc1ccccn1 ZINC000082082714 JH Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCc1ccccn1 ZINC000082082716 JH Annotated Bother CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082082908 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1OC ZINC000082082910 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1OC ZINC000082082912 JH Annotated Anodyne COc1ccc(CNc2nc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)cc3n2C)cc1OC ZINC000082082960 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000082083073 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000082083075 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082083207 JH Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082083208 JH Annotated Bother COc1cc(-c2ccc3ncc(-c4cccc(/C(O)=N/CCN(C)C)c4)n3n2)cc(OC)c1OC ZINC000082083317 JH Annotated Mild CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083354 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083355 JH Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1 ZINC000082084407 JH Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1 ZINC000082084408 JH Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084574 JH Annotated Anodyne NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084575 JH Annotated Anodyne CN(C)CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084688 JH Annotated Anodyne CN(C)CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084689 JH Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)NCc1cccc(OC(F)(F)F)c1 ZINC000082084810 JH Annotated Bother O=C(CNC(=O)c1csc(Nc2ccccc2)n1)NCc1cccc(OC(F)(F)F)c1 ZINC000082084834 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084873 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082085087 JH Annotated Bother COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082085088 JH Annotated Bother CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085089 JH Annotated Bother CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085090 JH Annotated Bother COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000082085200 JH Annotated Bother COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000082085201 JH Annotated Bother CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085202 JH Annotated Bother CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085203 JH Annotated Bother CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085290 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085291 JH Annotated Anodyne O=C(OCCc1ccccn1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085448 JH Annotated Bother O=C(OCCc1ccccn1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085449 JH Annotated Bother CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085484 JH Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085485 JH Annotated Anodyne O=C(OCCc1ccccn1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085559 JH Annotated Bother O=C(OCCc1ccccn1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085560 JH Annotated Bother COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)c1OC ZINC000082085634 JH Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000082085672 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085695 JH Annotated Bother CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085739 JH Annotated Bother Nc1ccccc1CNC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082085914 JH Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082085915 JH Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cccs2)n1 ZINC000082085922 JH Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cccs2)n1 ZINC000082085923 JH Annotated Anodyne CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082086092 JH Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082086093 JH Annotated Mild CN(C)C(C)(C)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086160 JH Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086161 JH Annotated Anodyne CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086176 JH Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086177 JH Annotated Mild CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 ZINC000082088054 JH Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 ZINC000082088055 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082088084 JH Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082088085 JH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082088098 JH Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082094121 JH Annotated Anodyne CCNc1nc(N(C)CCN(C)C(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118178 JH Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082118484 JH Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082118485 JH Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NC[C@@H](C)O)c2cc1OC ZINC000082118495 JH Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NC[C@H](C)O)c2cc1OC ZINC000082118496 JH Annotated Anodyne CCNc1nc(NCCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000082118575 JH Annotated Bother COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082118592 JH Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082118593 JH Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3ccoc3)nc(NCc3ccco3)c2cc1OC ZINC000082118632 JH Annotated Anodyne CCNc1nc(NCCCNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000082118649 JH Annotated Anodyne CCN(CC)CCCNc1nc(NCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082118663 JH Annotated Anodyne CCNc1nc(NCCCNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082118768 JH Annotated Anodyne CCNc1nc(NCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000082118781 JH Annotated Bother CCNc1nc(NCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000082118782 JH Annotated Bother CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082119452 JH Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082119453 JH Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NC[C@@H](C)O)c2cc1OC ZINC000082119461 JH Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NC[C@H](C)O)c2cc1OC ZINC000082119462 JH Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cnccn3)nc(NCc3ccco3)c2cc1OC ZINC000082119469 JH Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccncc2)nc2cc(OC)c(OC)cc12 ZINC000082119533 JH Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccncc2)nc2cc(OC)c(OC)cc12 ZINC000082119534 JH Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NCCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082119903 JH Annotated Anodyne COC(=O)[C@]12C(=O)[C@H](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 ZINC000082123232 JH Annotated Anodyne COC(=O)[C@]12C(=O)[C@@H](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 ZINC000082123233 JH 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(C)=O)C2(C)C ZINC000082123305 JH Annotated Mild COc1cc2nc(NC[C@H](O)CO)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000082130700 JH Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000082130703 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)CC1 ZINC000082132673 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132682 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132684 JH Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)CC1 ZINC000082133137 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000082134771 JH Annotated Bother Cc1ccc(CNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135027 JH Annotated Mild CCCCNc1ncc(C(=O)N(CCOCC)CCOCC)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135199 JH Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135201 JH Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135214 JH Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135280 JH Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135281 JH Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135282 JH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135350 JH Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135357 JH Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135366 JH Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135396 JH Annotated Bother COc1ccc(CCNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135409 JH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135473 JH Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135474 JH Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135483 JH Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136045 JH Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136065 JH Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136066 JH Annotated Bother CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136089 JH Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136164 JH Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139350 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139353 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139354 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 ZINC000082139523 JH Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082139790 JH Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082139793 JH Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082139794 JH Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082139796 JH Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1 ZINC000082139938 JH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082141292 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082141540 JH Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccco2)n1 ZINC000082142272 JH Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccco3)n2)cc1OC ZINC000082142294 JH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccco1 ZINC000082142461 JH Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000082143619 JH Annotated Mild COc1cc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000082143760 JH Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143778 JH Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143780 JH Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143782 JH Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143783 JH Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCC2CC2)cc(OC)c1OC ZINC000082143845 JH Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCC2CC2)cc(OC)c1OC ZINC000082143848 JH Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCC2CC2)cc(OC)c1OC ZINC000082143849 JH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143910 JH Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143912 JH Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145389 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145391 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000082147479 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082147560 JH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082147563 JH Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148099 JH Annotated Bother COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148369 JH Annotated Bother COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148370 JH Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148616 JH Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148694 JH Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148727 JH Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148729 JH Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082149039 JH Annotated Bother COc1ccc(CCNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082149044 JH Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149174 JH Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149232 JH Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149294 JH Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150165 JH Annotated Bother CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150280 JH Annotated Bother CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150283 JH Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150346 JH Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150348 JH Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082150894 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082150898 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151069 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151071 JH Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]3C(C)C)[C@](C)(OC(=O)CCC)CC[C@@H]1O ZINC000082151139 JH Annotated Mild CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@H](C)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]1C(C)C ZINC000082151141 JH Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]3C(C)C)[C@](C)(OC(=O)CCC)CCC1=O ZINC000082151145 JH Annotated Mild CNC(=O)c1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CCN(C)CC3)c(c1)CC2 ZINC000082151204 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082151466 JH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082151469 JH Annotated Anodyne CN1c2ccccc2S(=O)(=O)n2nc(-c3cccnc3Nc3cc(F)c(F)c(F)c3)nc21 ZINC000082152896 JH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(C#N)cc1 ZINC000082154789 JH Annotated Mild O=C(NCc1ccccc1)[C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 ZINC000082155375 JH Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc(/C=C/CN3CCN(C(=O)OC(C)(C)C)CC3)cc2c1=O ZINC000082156188 JH Annotated Anodyne CCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl ZINC000082157649 JH Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccccc2[C@@H]2CNC[C@H]2C(=O)N2CCOC[C@@H]2c2ccccc2)cc1 ZINC000082158070 JH Annotated Anodyne CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F ZINC000082158329 JH Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(C#N)cc1 ZINC000082158577 JH Annotated Mild CC(C)(C)c1nc2cc(S(=O)(=O)c3ccnc(OCCCO)c3)ccc2n1CC1CCOCC1 ZINC000082158641 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082159005 JH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000082159155 JH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000082159157 JH Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159211 JH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159522 JH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159535 JH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(C#N)cc1 ZINC000082159553 JH Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159730 JH Annotated Mild CC(=O)NCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082159858 JH Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)CC1 ZINC000082159980 JH Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F ZINC000082160002 JH Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(C#N)cc1 ZINC000082160095 JH Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082166906 JH Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082166908 JH Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082166911 JH Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082166915 JH Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082166917 JH Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082166919 JH Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082166921 JH Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082166926 JH Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082166980 JH Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082166983 JH Annotated Mild CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167009 JH Annotated Anodyne COc1cc(-c2nc(N3CCN(C(C)=O)CC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167011 JH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167098 JH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167102 JH Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082167142 JH Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082167145 JH Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082167149 JH Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082167154 JH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167184 JH Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167185 JH Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082167193 JH Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082167195 JH Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082167596 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082167597 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082167598 JH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082167601 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172208 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172210 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172212 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172213 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172214 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172216 JH Annotated Anodyne C/N=C(\S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172717 JH Annotated Mild C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172718 JH Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172721 JH Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=S)NC)CC(C)(C)O2 ZINC000082174136 JH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=S)NC)CC(C)(C)O2 ZINC000082174139 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082174510 JH Annotated Bother CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=S)NC)CC(C)(C)O2 ZINC000082177720 JH Annotated Anodyne COc1cc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCN2CCCC2=O)ccc1O ZINC000082178257 JH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082178348 JH Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178364 JH Annotated Clean O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179548 JH Annotated Anodyne COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000082180236 JH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082180322 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180371 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180372 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180375 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180377 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180379 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180381 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180399 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180401 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180406 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180408 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180409 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180411 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180638 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180640 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180642 JH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180644 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180677 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180680 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180681 JH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180684 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180820 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180821 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180823 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180826 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180828 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180829 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180832 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180836 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180837 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180840 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180872 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180873 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180875 JH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180878 JH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180880 JH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180881 JH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082180883 JH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000082180920 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000082180922 JH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000082180925 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082181078 JH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082181080 JH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082181081 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000082181268 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000082181269 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181462 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181465 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181467 JH Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181469 JH Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 ZINC000082181531 JH Annotated Clean O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181914 JH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181915 JH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181916 JH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181917 JH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082182034 JH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082182035 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182514 JH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182517 JH Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCN2CCCC2=O)ccc1O ZINC000082185455 JH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185489 JH Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185592 JH Annotated Clean CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2CCCN1CCCC1=O ZINC000082186359 JH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187246 JH Annotated Anodyne COc1cc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCNC(C)=O)ccc1O ZINC000082187812 JH Annotated Anodyne COc1cc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCNC(C)=O)ccc1O ZINC000082187814 JH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082188007 JH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082188009 JH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCNC(C)=O)cc1 ZINC000082189067 JH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082190180 JH Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2CCc2ccccc2F)c1 ZINC000082190865 JH Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCc2cccc(F)c2)cc1 ZINC000082190988 JH Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCc2cccc(F)c2)c1 ZINC000082191000 JH Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2CCCO)C(N)=O ZINC000082191220 JH Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2CCCO ZINC000082191254 JH Annotated Anodyne CC(C)n1c(NC(=O)c2ccccc2)nc2cc(C(=O)N[C@@H](CC3CCCCC3)C(N)=O)ccc21 ZINC000082191578 JH Annotated Anodyne CC(C)Cn1c(NC(=O)c2ccccc2)nc2cc(C(=O)N[C@@H](CC3CCCCC3)C(N)=O)ccc21 ZINC000082191691 JH Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192255 JH Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192259 JH Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192263 JH Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192266 JH Annotated Mild O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(I)cc2)cs1 ZINC000082193048 JH Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(I)cc2)cs1 ZINC000082193051 JH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000082193308 JH Annotated Bother COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000082193310 JH Annotated Bother COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000082193985 JH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 ZINC000082193987 JH Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082193991 JH Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082193994 JH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1OC ZINC000082193995 JH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc1OC ZINC000082193999 JH Annotated Anodyne COc1cc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC ZINC000082194002 JH Annotated Anodyne COc1cc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC ZINC000082194004 JH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(OC)cc3OC)cs2)CC1 ZINC000082194232 JH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3cc(OC)ccc3OC)cs2)CC1 ZINC000082194235 JH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2nc(-c3ccc(OC)cc3OC)cs2)CC1 ZINC000082194800 JH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2nc(-c3cc(OC)ccc3OC)cs2)CC1 ZINC000082194802 JH Annotated Anodyne COc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000082195088 JH Annotated Anodyne COc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 ZINC000082195091 JH Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082195095 JH Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082195097 JH Annotated Anodyne COc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1OC ZINC000082195100 JH Annotated Anodyne COc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc1OC ZINC000082195103 JH Annotated Anodyne COc1cc(-c2csc(N[C@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC ZINC000082195105 JH Annotated Anodyne COc1cc(-c2csc(N[C@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC ZINC000082195107 JH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000082195390 JH Annotated Bother COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195470 JH Annotated Anodyne COc1cc(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)cc(OC)c1OC ZINC000082195742 JH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(OCC)cc3)cs2)CC1 ZINC000082195900 JH Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1Cl)C3 ZINC000082196005 JH Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)cc1OC ZINC000082196018 JH Annotated Anodyne COc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196019 JH Annotated Anodyne COc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)c1 ZINC000082196020 JH Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)cc1OC ZINC000082196029 JH Annotated Anodyne COc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196030 JH Annotated Anodyne COc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)c1 ZINC000082196031 JH Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CCC1CCCC1)C3 ZINC000082196072 JH Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C3 ZINC000082196074 JH Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)cc1 ZINC000082196078 JH Annotated Anodyne O=C(Cc1cccs1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196079 JH Annotated Anodyne COc1cc(OC)cc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)c1 ZINC000082196081 JH Annotated Anodyne O=C(COCc1ccccc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196086 JH Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)cc1 ZINC000082196089 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)Cc1cccs1)C3 ZINC000082196090 JH Annotated Anodyne COc1cc(OC)cc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)c1 ZINC000082196093 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COCc1ccccc1)C3 ZINC000082196099 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1F)C3 ZINC000082196100 JH Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)COc1ccc(Cl)cc1)CC3 ZINC000082196108 JH Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(Cl)cc1)C3 ZINC000082196137 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(C#N)cc1)C3 ZINC000082196155 JH Annotated Mild CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(C#N)c1)C3 ZINC000082196157 JH Annotated Mild Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC3 ZINC000082196187 JH Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196201 JH Annotated Anodyne CCCC[C@@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196205 JH Annotated Anodyne CCCC[C@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196206 JH Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1)c1ccccc1 ZINC000082196207 JH Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1)c1ccccc1 ZINC000082196208 JH Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(Cl)c1)C3 ZINC000082196252 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(F)cc1F)C3 ZINC000082196273 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1c(F)cccc1F)C3 ZINC000082196275 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(F)cc1)C3 ZINC000082196277 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cc(F)cc(F)c1)C3 ZINC000082196352 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(F)c1F)C3 ZINC000082196358 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196576 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196578 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196579 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196580 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000082196786 JH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2CCCN1CCCC1=O ZINC000082196788 JH Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000082196789 JH Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 ZINC000082196792 JH Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 ZINC000082196795 JH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196818 JH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196821 JH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196825 JH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196827 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000082196959 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000082196960 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000082196961 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000082196962 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082196969 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000082196970 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082196971 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000082196972 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082197017 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082197018 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082197019 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082197020 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000082197092 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000082197093 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000082197094 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000082197095 JH Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082197216 JH Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082197217 JH Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082197218 JH Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082197219 JH Annotated Mild O=C(NCCO)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197299 JH Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197300 JH Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197301 JH Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197302 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082197414 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082197415 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCO)cc1 ZINC000082197416 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCO)cc1 ZINC000082197417 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082197450 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082197451 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082197452 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082197453 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082197545 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082197546 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082197547 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082197548 JH Annotated Mild COc1cccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c1OC ZINC000082197601 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c1OC ZINC000082197602 JH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c1OC ZINC000082197603 JH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c1OC ZINC000082197604 JH Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000082197605 JH Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000082197606 JH Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000082197607 JH Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)c(OC)c1 ZINC000082197608 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082197707 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082197708 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082197709 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082197710 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@@H]1C2(C)C ZINC000082197910 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@@H]1C2(C)C ZINC000082197911 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198088 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198089 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198090 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198091 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198096 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198097 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198098 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198099 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198116 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198117 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198118 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198119 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198320 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198321 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198322 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198323 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198328 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198329 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198330 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198331 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198427 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198428 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198429 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198430 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198454 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198455 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198456 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198457 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198952 JH Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198953 JH Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198954 JH Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198955 JH Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199049 JH Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199050 JH Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199051 JH Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199052 JH Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199242 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199243 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199244 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082199245 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082199306 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082199307 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082199308 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082199309 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199444 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199445 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199446 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199447 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cnccn2)C1 ZINC000082199480 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cnccn2)C1 ZINC000082199481 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cnccn2)C1 ZINC000082199482 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cnccn2)C1 ZINC000082199483 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199500 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199501 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199502 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199503 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199504 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199505 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199506 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cccnc2SC)C1 ZINC000082199507 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199806 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199808 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199809 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199811 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 ZINC000082200443 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 ZINC000082200445 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 ZINC000082200446 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 ZINC000082200447 JH Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCCC1)CC3 ZINC000082201234 JH Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCCC1)CC3 ZINC000082201236 JH Annotated Anodyne CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201557 JH Annotated Anodyne CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201559 JH Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082204834 JH Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 ZINC000082204863 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204921 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204928 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204931 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082204948 JH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 ZINC000082204960 JH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 ZINC000082204964 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082204966 JH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082205063 JH Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205079 JH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205121 JH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205131 JH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205135 JH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205139 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082205141 JH Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205190 JH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082205398 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccccc1 ZINC000082205445 JH Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205495 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205501 JH Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205504 JH Annotated Mild COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205506 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205622 JH Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205623 JH Annotated Mild O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082205736 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205789 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205801 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000082205870 JH Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205878 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205920 JH Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206037 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccncc1 ZINC000082206041 JH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206084 JH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206086 JH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206091 JH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206093 JH Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000082206206 JH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206340 JH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206343 JH Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206599 JH Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206601 JH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206661 JH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206663 JH Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206682 JH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206847 JH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206850 JH Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207001 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082207131 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082207217 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082207223 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082207224 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082207228 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207405 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207408 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207434 JH Annotated Clean CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207438 JH Annotated Clean CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207566 JH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207568 JH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207572 JH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207575 JH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207663 JH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207665 JH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207679 JH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207681 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082208009 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082208013 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082208015 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082208017 JH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208029 JH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208033 JH Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208378 JH Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208379 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082208511 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082208513 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208515 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208519 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208522 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208572 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208574 JH Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082208575 JH Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082208578 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208595 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208597 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208603 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208605 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082208610 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082208613 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082208666 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000082208669 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082208701 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082208706 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082208726 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082208729 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208730 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208735 JH Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082208743 JH Annotated Anodyne C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208782 JH Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208786 JH Annotated Anodyne C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208787 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082208829 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082208831 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)cc1 ZINC000082208834 JH Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209124 JH Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209127 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209129 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209133 JH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209136 JH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209137 JH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209159 JH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209162 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209163 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209168 JH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209327 JH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209330 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209338 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209340 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209422 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209426 JH Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209465 JH Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209468 JH Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082209750 JH Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082209753 JH Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082209757 JH Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082209761 JH Annotated Mild O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209843 JH Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209844 JH Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209981 JH Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209983 JH Annotated Anodyne O=C(NCCO)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082210051 JH Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082210055 JH Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082210059 JH Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082210062 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210086 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210089 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccco1 ZINC000082210223 JH Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082210281 JH Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082210286 JH Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082210289 JH Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCO)ccc2c1 ZINC000082210294 JH Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210310 JH Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210314 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210329 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210331 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082210334 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082210337 JH Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210341 JH Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210342 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082210560 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082210564 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082210568 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082210572 JH Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000082210743 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000082210748 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000082210752 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082210787 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082210789 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082210795 JH Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082210883 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082210888 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082210889 JH Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082210892 JH Annotated Mild COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082210936 JH Annotated Mild COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082210943 JH Annotated Mild COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082210946 JH Annotated Mild COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082210950 JH Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CP(=O)(OCC)OCC ZINC000082211053 JH Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CP(=O)(OCC)OCC ZINC000082211056 JH Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)CP(=O)(OCC)OCC ZINC000082211061 JH Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)CP(=O)(OCC)OCC ZINC000082211063 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](C)CN3)cc1 ZINC000082211145 JH Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](C)CN3)cc1 ZINC000082211151 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082211285 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082211289 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082211290 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082211292 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](C)CN3)c1 ZINC000082211426 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](C)CN3)c1 ZINC000082211429 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211656 JH Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211659 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082211664 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082211667 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082211672 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082211676 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082211678 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082211683 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082211707 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082211710 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000082211714 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082211735 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082211738 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082211743 JH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211760 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082211762 JH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211763 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082211767 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082211770 JH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211913 JH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211915 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](C)CN3)cc1 ZINC000082211928 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](C)CN3)cc1 ZINC000082211933 JH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212199 JH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212201 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](C)CN3)cc1 ZINC000082212215 JH Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](C)CN3)cc1 ZINC000082212219 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccncc1 ZINC000082212244 JH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212261 JH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212264 JH Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@@H]1C2(C)C ZINC000082212356 JH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C[C@H]2C[C@@H]1C2(C)C ZINC000082212360 JH Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082213057 JH Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082213058 JH Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082213060 JH Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082213061 JH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213231 JH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213232 JH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213233 JH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213234 JH Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213238 JH Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213239 JH Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213240 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213321 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213322 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213323 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082213324 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCC#N)c1 ZINC000082213367 JH Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCC#N)c1 ZINC000082213368 JH Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCC#N)c1 ZINC000082213369 JH Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCC#N)c1 ZINC000082213370 JH Annotated Mild COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213430 JH Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213431 JH Annotated Mild COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213432 JH Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213433 JH Annotated Mild CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213474 JH Annotated Mild CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213475 JH Annotated Mild CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213476 JH Annotated Mild CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213477 JH Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO ZINC000082213510 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO ZINC000082213511 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO ZINC000082213512 JH Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO ZINC000082213513 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000082213699 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000082213700 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000082213701 JH Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccco3)C2)cc1 ZINC000082213702 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213735 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213736 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213737 JH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213738 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213881 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213882 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213883 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214203 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214204 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214205 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214206 JH Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082214798 JH Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082214837 JH Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216956 JH Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216957 JH Annotated Bother CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082218937 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082218940 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082218943 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082218944 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082219016 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082219019 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082219022 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082219024 JH Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082219626 JH Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219704 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219708 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219709 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219711 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219805 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219808 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219812 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219817 JH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219859 JH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219862 JH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219865 JH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082219866 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCSC)c1 ZINC000082220070 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCSC)c1 ZINC000082220073 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCSC)c1 ZINC000082220075 JH Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCSC)c1 ZINC000082220077 JH Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000082220141 JH Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000082220143 JH Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000082220146 JH Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1SC ZINC000082220147 JH Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220261 JH Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220263 JH Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082220266 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220295 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220297 JH Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)cc1 ZINC000082220302 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC ZINC000082220368 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC ZINC000082220370 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCSC ZINC000082220372 JH Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCSC ZINC000082220373 JH Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC)OCC ZINC000082220434 JH Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC)OCC ZINC000082220437 JH Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCSC)OCC ZINC000082220439 JH Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCSC)OCC ZINC000082220441 JH Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220868 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220870 JH Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082220873 JH Annotated Anodyne COc1cccc(CC(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)c1 ZINC000082222859 JH Annotated Anodyne N#Cc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)cc1 ZINC000082222875 JH Annotated Mild N#Cc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)c1 ZINC000082222881 JH Annotated Mild COc1cccc(CC(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)c1 ZINC000082222884 JH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(F)c1)C3 ZINC000082222890 JH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1CC1CCCCC1)C[C@H](Cc1ccccc1)N2 ZINC000082224120 JH Annotated Anodyne C=CCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224343 JH Annotated Mild C=CCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224346 JH Annotated Mild CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224403 JH Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224405 JH Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082224606 JH Annotated Mild O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 ZINC000082227952 JH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082227954 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082228016 JH Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082228019 JH Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082228020 JH Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082228022 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(O)cc1 ZINC000082230936 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(O)cc1 ZINC000082230937 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000082230938 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000082230939 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc2c(c1)OCO2 ZINC000082230960 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc2c(c1)OCO2 ZINC000082230961 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000082230962 JH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000082230963 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000082231241 JH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000082231242 JH Annotated Mild O=C(NCCCCc1nc2nc(N3CCCC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231450 JH Annotated Anodyne O=C(NCCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231735 JH Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000082235141 JH Annotated Anodyne CC[C@]1(C)C[C@H](OC(=O)CSc2n[nH]c(N)n2)[C@]2(C)CC[C@H](C)[C@]3(CCC(=O)[C@H]23)[C@H](C)[C@@H]1O ZINC000083920746 JH Annotated Anodyne in-vitro CC[C@@]1(C)C[C@H](OC(=O)CSc2n[nH]c(N)n2)[C@]2(C)CC[C@H](C)[C@]3(CCC(=O)[C@H]23)[C@H](C)[C@@H]1O ZINC000083920749 JH Annotated Anodyne in-vitro CC[C@]1(C)C[C@@H](OC(=O)CSc2n[nH]c(N)n2)[C@]2(C)CC[C@H](C)[C@]3(CCC(=O)[C@@H]32)[C@H](C)[C@@H]1O ZINC000083920751 JH Annotated Anodyne in-vitro CC[C@@]1(C)C[C@@H](OC(=O)CSc2n[nH]c(N)n2)[C@]2(C)CC[C@H](C)[C@]3(CCC(=O)[C@@H]32)[C@H](C)[C@@H]1O ZINC000083920754 JH Annotated Anodyne in-vitro COC(=O)c1ccccc1/N=C1\C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000084460034 JH Annotated Mild CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)CC1 ZINC000084466503 JH Annotated Mild COC(=O)C1(C(=O)N2CCC(c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000084586994 JH Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000084587503 JH Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COc2ccc3occc3c2)cc1OC ZINC000084596209 JH Annotated Anodyne CCN1CCC[C@@H]1Cn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2 ZINC000084596806 JH Annotated Anodyne CCN1CCC[C@H]1Cn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2 ZINC000084596807 JH Annotated Anodyne COc1ccc(Cc2nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c3c(C)noc23)cc1 ZINC000084596850 JH Annotated Anodyne N#Cc1ccc(Cn2c3c(cc(C(=O)NC4(C(=O)O)CCCCC4)c2=O)CCCCCC3)cc1 ZINC000084596863 JH Annotated Mild CC(C)S(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 ZINC000084597084 JH Annotated Anodyne O=S(=O)(C1CC1)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 ZINC000084597085 JH Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)c(OC)c1 ZINC000084597134 JH Annotated Bother NC(=O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c1 ZINC000084597153 JH Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(NS(N)(=O)=O)cc1C ZINC000084603142 JH Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)NCCO)cc1C ZINC000084603464 JH Annotated Clean Cc1cc(S(N)(=O)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)s1 ZINC000084603796 JH Annotated Clean COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(C)(C)C(=O)O)c2)c(OC)c1 ZINC000084615085 JH Annotated Anodyne COC(=O)C(C)(C)Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000084615420 JH Annotated Anodyne CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Cl ZINC000084616308 JH Annotated Anodyne COc1cc(-c2cn(CC(=O)N3CCC(c4nc5ccccc5o4)CC3)nn2)ccc1-n1cnc(C)c1 ZINC000084616396 JH Annotated Anodyne COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1 ZINC000084617652 JH Annotated Anodyne Cc1noc2c(Cc3ccc([N+](=O)[O-])cc3)nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c12 ZINC000084617691 JH Annotated Bother Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(C)(=O)=O)n2Cc1cc(F)ccc1F ZINC000084619916 JH Annotated Mild CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(S(C)(=O)=O)c3)n2)CC1 ZINC000084620013 JH Annotated Anodyne Cn1ccnc1C(=O)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084631997 JH Annotated Anodyne CC1(C(=O)N2CCC(c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC2)COC1 ZINC000084632583 JH Annotated Anodyne COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c3c(C)noc23)cc1 ZINC000084633127 JH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3cccs3)ncnc12 ZINC000084633753 JH Annotated Anodyne CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCCCO ZINC000084633851 JH Annotated Anodyne CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(O)CC1 ZINC000084634151 JH Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(Cl)cc1 ZINC000084634380 JH Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccccc1Cl ZINC000084634381 JH Annotated Mild Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1 ZINC000084634942 JH Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCC[C@@H](N)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000084636055 JH Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCC[C@@H](N)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000084636057 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(c4ccc(O)cc4)=C(c4ccc(O)cc4)[C@@H]2[S@]3=O)cc1 ZINC000084652129 JH Annotated Anodyne COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(c4ccc(O)cc4)=C(c4ccc(O)cc4)[C@@H]2[S@@]3=O)cc1 ZINC000084652130 JH Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000084652577 JH 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@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000084652588 JH Annotated Mild CS(=O)(=O)c1ccc(Cc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 ZINC000084652695 JH Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@@H]1CC(C)(C)Oc3ccc(Br)cc31)N2 ZINC000084652739 JH Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@H]1CC(C)(C)Oc3ccc(Br)cc31)N2 ZINC000084652740 JH Annotated Anodyne CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccccc4)nc23)cc1 ZINC000084652924 JH Annotated Anodyne CC(=O)Nc1ccc2nc(NC(=O)CSc3nnc(Cn4cnc5ccccc54)o3)sc2c1 ZINC000084653208 JH Annotated Anodyne O=[S@]1[C@H]2C[C@H](S(=O)(=O)Oc3ccccc3)[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000084653400 JH Annotated Anodyne O=[S@@]1[C@H]2C[C@H](S(=O)(=O)Oc3ccccc3)[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000084653401 JH Annotated Anodyne CSc1ccccc1Nc1nc(N2C[C@H](C)N[C@H](C)C2)nc2c(NCC3CC3)ncnc12 ZINC000084653869 JH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNC(C)(C)C2)nc2c(NCC3CC3)ncnc12 ZINC000084653870 JH Annotated Anodyne Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 ZINC000084654096 JH Annotated Anodyne c1cc2nc(-c3cnc(-c4nc5ccc(C6=NCCN6)cc5s4)cn3)sc2cc1C1=NCCN1 ZINC000084654630 JH Annotated Anodyne Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-c5ncccn5)cc3)C4)nc2s1 ZINC000084654857 JH Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cn[nH]n3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21 ZINC000084668514 JH Annotated Anodyne Cn1cc(-c2c(Cc3cccc4ccccc34)c(Br)c(=O)n3c2SC[C@H]3C(=O)O)nn1 ZINC000084668515 JH Annotated Anodyne COc1ccc(-c2c(Br)[nH]c(C(=O)OCCN(C)C)c2Br)cc1OC ZINC000084668676 JH Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(N(C)C)cc1 ZINC000084668818 JH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCC[C@@H]3CNC[C@@H]32)nc2c(NCC3CC3)ncnc12 ZINC000084668867 JH Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cn(CC4CC4)nn3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000084668934 JH Annotated Anodyne CN1C[C@H](c2cccc3c2OCO3)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084669338 JH Annotated Clean CN1C[C@@H](c2cccc3c2OCO3)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084669339 JH Annotated Clean CN1C[C@H](c2ccc(N3CCOCC3)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084669342 JH Annotated Clean CN1C[C@@H](c2ccc(N3CCOCC3)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084669343 JH Annotated Clean Cc1cc(C)cc(Cc2c(I)c(=O)[nH]c(=O)n2COCc2ccccc2)c1 ZINC000084670110 JH Annotated Anodyne O=[S@@]1[C@H]2C[C@H](S(=O)(=O)Oc3ccc(O)cc3)[C@@H]1C(c1ccccc1)=C2c1ccccc1 ZINC000084670146 JH Annotated Anodyne O=[S@]1[C@H]2C[C@H](S(=O)(=O)Oc3ccc(O)cc3)[C@@H]1C(c1ccccc1)=C2c1ccccc1 ZINC000084670147 JH Annotated Anodyne COc1ccc(-c2nnnn2-c2cc(Br)c(OC)c(Br)c2)cc1O ZINC000084670364 JH Annotated Anodyne Cc1c(C(N)=O)sc2c1c(=O)n(Cc1ccccc1)c1nnc(-c3ccc(Br)cc3)n21 ZINC000084670388 JH Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](NC2=NC(=O)/C(=C/c3ccccc3)S2)C(C)C)cc1 ZINC000084670580 JH Annotated Mild CSc1ccccc1Nc1nc(N2CCC[C@H]3CNC[C@H]32)nc2c(NCC3CC3)ncnc12 ZINC000084670669 JH Annotated Anodyne COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1 ZINC000084671336 JH Annotated Anodyne C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1)c1ccc(Cl)cc1 ZINC000084671489 JH Annotated Reactive C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1)c1ccc(Cl)cc1 ZINC000084671490 JH Annotated Reactive COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2ON1c1ccc(C)cc1 ZINC000084671630 JH Annotated Anodyne CC(C)N1CCN(c2nc(CCN3CCN(c4cccc(C(F)(F)F)c4C#N)CC3)cs2)CC1 ZINC000084672538 JH Annotated Mild COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccc(C)cc2)c1 ZINC000084687153 JH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccc([N+](=O)[O-])cc5)c4[C@]2(CCN3C)CC1=O ZINC000084688150 JH Annotated Mild CCOC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1cc(C(=O)OC)sc1C2=O ZINC000084688183 JH Annotated Clean CC(C)NC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)O)c3)cnc2[nH]1 ZINC000084688500 JH Annotated Anodyne Cc1[nH]nc(-n2nc(C(=O)c3ccccc3)sc2=N)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084688597 JH Annotated Clean COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccccc5[N+](=O)[O-])c4[C@]2(CCN3C)CC1=O ZINC000084688740 JH Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cccc([N+](=O)[O-])c5)c4[C@]2(CCN3C)CC1=O ZINC000084688741 JH Annotated Mild Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccc1C#N ZINC000084689001 JH Annotated Mild Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1 ZINC000084689005 JH Annotated Anodyne COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccc(C)cc2)cc1 ZINC000084689116 JH Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000084689118 JH Annotated Bother CCOC(=O)c1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=O)NCCCN(C)C)cc3c12 ZINC000084689227 JH Annotated Bother CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Br)c1O)C2=O ZINC000084689806 JH Annotated Clean CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C(=O)[C@H]4NC(=O)[C@@H]1CCCN1 ZINC000084690135 JH Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H](O)[C@H]4NC(=O)[C@@H]1CCCN1 ZINC000084690136 JH Annotated Anodyne CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccn3C)n(Cc3ccnc4ccc(Cl)cc34)nc21 ZINC000084690346 JH Annotated Anodyne CCNC(=O)c1cc2c(-n3nc(C(F)(F)F)cc3C)c(-c3cncc(C(=O)O)c3)cnc2[nH]1 ZINC000084690408 JH Annotated Anodyne CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000084690420 JH Annotated Bother CC(=O)O[C@@H]1[C@@H](O[C@H]2CC[C@H](C)[C@@]3(C)C[C@@H](/C(C)=C/C=C/C(C)(C)O)CC[C@H]23)OC[C@@H](O)[C@H]1O ZINC000084690538 JH Annotated Anodyne CS(=O)(=O)c1ccc(-c2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1[N+](=O)[O-] ZINC000084690550 JH Annotated Bother N#Cc1ccc(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000084690581 JH Annotated Mild COc1cc(/C=N/NC(=O)[C@H](OC)c2cccc(N3CCCC3)c2)cc(OC)c1Br ZINC000084703565 JH Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2cccc(N3CCCC3)c2)cc(OC)c1Br ZINC000084703569 JH Annotated Reactive COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCCC(F)(F)F)nc2)CO3)cn1 ZINC000084703765 JH Annotated Anodyne Cn1ccnc1CNCCS(=O)(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1 ZINC000084703904 JH Annotated Anodyne CCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 ZINC000084704522 JH Annotated Anodyne CCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 ZINC000084704525 JH Annotated Anodyne COc1cc(C2=NO[C@H](C(=O)Nc3c(C)cc(Cl)cc3C(=O)NC(C)C)C2)cc(OC)c1OC ZINC000084704528 JH Annotated Anodyne COc1cc(C2=NO[C@@H](C(=O)Nc3c(C)cc(Cl)cc3C(=O)NC(C)C)C2)cc(OC)c1OC ZINC000084704533 JH Annotated Anodyne CCCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)O)c3)cnc2[nH]1 ZINC000084705061 JH Annotated Anodyne CCCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000084706707 JH Annotated Anodyne CS(=O)(=O)c1ccc(Cc2nnc3n2N=C(c2cc(Cl)sc2Cl)CS3)cc1 ZINC000084706853 JH Annotated Anodyne CN1CCCN(C(=O)c2cncc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)n2)CC1 ZINC000084708210 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](NCc3ccccc3)S[C@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000084708400 JH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](NCc3ccccc3)S[C@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000084708404 JH Annotated Anodyne COc1ccc([C@H]2N[C@@H](NCc3ccccc3)S[C@@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000084708407 JH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](NCc3ccccc3)S[C@@H]2c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000084708410 JH Annotated Anodyne COc1ccc(-[n+]2noc(O)c2/C=N/n2c(S)nnc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000084708528 JH Annotated Mild COc1ccc(-[n+]2noc(O)c2/C=N/n2c(S)nnc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000084708531 JH Annotated Mild COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@H](Cc1ccc(F)cc1)N2 ZINC000084709393 JH Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@@H](Cc1ccc(F)cc1)N2 ZINC000084709395 JH Annotated Anodyne CS(=O)(=O)c1ccc(Sc2ccc(F)cc2CSC(=N)N)c(CSC(=N)N)c1 ZINC000084710533 JH Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)C1=C(C[C@@H]3O)[C@](C)(CO)[C@@H](O)CC1 ZINC000084711699 JH Annotated Anodyne c1ccc2c(c1)nc(NCCNCCNCCNc1nc3ccccc3n3cccc13)c1cccn12 ZINC000084712597 JH Annotated Anodyne CC(C)[C@@H]1[C@H](O)[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)C1=C(C[C@@H]3O)C(C)(C)[C@@H](O)CC1 ZINC000084714212 JH Annotated Anodyne Cc1ccc(Cn2ccnc2/C=N/Nc2nc(NC3CCN(C)CC3)c3ccccc3n2)cc1 ZINC000084723393 JH Annotated Mild Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000084723852 JH Annotated Bother O=C(O)Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12 ZINC000084725195 JH Annotated Anodyne COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCCCC3)nc2)cc(OC)c1Br ZINC000084725273 JH Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCCCC3)nc2)cc(OC)c1Br ZINC000084725278 JH Annotated Reactive CN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000084726015 JH Annotated Anodyne CN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)[C@H](c2ccccc2)C1 ZINC000084726017 JH Annotated Anodyne CN1C[C@H](c2ccc(C(=O)O)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084726143 JH Annotated Clean CN1C[C@@H](c2ccc(C(=O)O)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084726146 JH Annotated Clean Cc1cc(C)cc(Cc2c(I)c(N)nc(=O)n2COCc2ccccc2)c1 ZINC000084727936 JH Annotated Anodyne Cc1cnc(-c2cccc3c2C[C@H](NC(=O)c2ccc(COCC(F)(F)F)nc2)CO3)cn1 ZINC000084728273 JH Annotated Anodyne Cc1ccc(OCC(=O)N[C@H]2c3cc(NC(=O)[C@@H](C)Oc4ccc(C#N)cc4C)ccc3C[C@@H]2O)cc1 ZINC000084728378 JH Annotated Mild O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000084731201 JH Annotated Anodyne CS(=O)(=O)Nn1c(Sc2ccc([N+](=O)[O-])cc2)nc2sc(-c3ccccc3)cc2c1=O ZINC000084731261 JH Annotated Bother CS(=O)(=O)Nn1c(Sc2ccccc2[N+](=O)[O-])nc2sc(-c3ccccc3)cc2c1=O ZINC000084731264 JH Annotated Bother COc1cc(/C=C/C(=O)Oc2cccc(OCc3c(-c4ccccc4)no[n+]3[O-])c2)ccc1O ZINC000084732817 JH Annotated Anodyne COc1cc(/C=C/C(=O)Oc2ccc(OCc3c(-c4ccccc4)no[n+]3[O-])cc2)ccc1O ZINC000084732821 JH 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)c1ccccc1O ZINC000084741427 JH Annotated Mild CCC(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)CC)cc(OC)c3c1OCO3)OCO2 ZINC000084741669 JH Annotated Anodyne CC(C)CN(CC(C)C)C[C@@H](CO[C@@H]1c2nc[nH]c2N(C)C(=O)N1C)OC(=O)c1ccccc1 ZINC000084756655 JH Annotated Anodyne in-man CC(C)CN(CC(C)C)C[C@H](CO[C@@H]1c2nc[nH]c2N(C)C(=O)N1C)OC(=O)c1ccccc1 ZINC000084756656 JH Annotated Anodyne in-man CC(C)CN(CC(C)C)C[C@@H](CO[C@H]1c2nc[nH]c2N(C)C(=O)N1C)OC(=O)c1ccccc1 ZINC000084756658 JH Annotated Anodyne in-man CC(C)CN(CC(C)C)C[C@H](CO[C@H]1c2nc[nH]c2N(C)C(=O)N1C)OC(=O)c1ccccc1 ZINC000084756660 JH Annotated Anodyne in-man CSc1ccccc1Nc1nc(N2CC[C@]3(CCNC3)C2)nc2c(NCC3CC3)ncnc12 ZINC000084756949 JH Annotated Anodyne CSc1ccccc1Nc1nc(N2CC[C@@]3(CCNC3)C2)nc2c(NCC3CC3)ncnc12 ZINC000084756951 JH Annotated Anodyne N#Cc1ccc(C(=O)Cn2cc(CNC(=O)CN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084758202 JH Annotated Mild CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)nc2)n1 ZINC000084758267 JH Annotated Anodyne CCCN(CCC)CCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3 ZINC000084758418 JH Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]1S2=O ZINC000084758875 JH Annotated Anodyne COc1ccccc1/C=C1\SC(N[C@H](/C(O)=N/S(=O)(=O)c2ccc(C)cc2)C(C)C)=NC1=O ZINC000084759163 JH Annotated Mild O=C(NCc1cn(CSc2ccccc2)nn1)Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC000084759489 JH Annotated Anodyne Cn1ncc2c3c(CCN4CCC(NCc5cc6c(cn5)OCC6)CC4)c(Cl)cnc3ccc21 ZINC000084835277 JH Annotated Anodyne CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000084923864 JH Annotated Anodyne aggregator Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000008582666 JH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 ZINC000008582835 JH Annotated Anodyne Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000008582942 JH Annotated Anodyne Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000008582943 JH Annotated Anodyne Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000008582944 JH Annotated Anodyne CCOc1ccccc1/C=C/c1onc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000008583695 JH Annotated Anodyne COc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@H]2COCCO2)c1 ZINC000008586286 JH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 ZINC000008586343 JH Annotated Anodyne COc1ccc(NC(=O)Cn2c(=O)c(-c3cc(C)ccc3NC(C)=O)nc3ccccc32)c(OC)c1 ZINC000008587487 JH Annotated Anodyne Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3cccc(Br)c3)cc1CC2 ZINC000008588909 JH Annotated Anodyne Cc1ccccc1NC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000008589596 JH Annotated Anodyne CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4ccc(F)cc4)CC3)nnc12 ZINC000008589752 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccc(C)cc3)c21 ZINC000008591793 JH Annotated Anodyne Cc1ccc(N2C(=O)CS(=O)(=O)[C@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1Cl ZINC000008592341 JH Annotated Anodyne Cc1ccc(N2C(=O)CS(=O)(=O)[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1Cl ZINC000008592342 JH Annotated Anodyne CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000008593463 JH Annotated Anodyne CC[C@H](C(=O)Nc1ccccc1C(=O)OC)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000008593465 JH Annotated Anodyne CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C(F)(F)F)c1 ZINC000008595297 JH Annotated Anodyne Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000008597282 JH Annotated Anodyne CCc1ccccc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000008600972 JH Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccccc4C(=O)OC)c32)cc1 ZINC000008604231 JH Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(F)c4)c32)cc1 ZINC000008604656 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(C)c(F)c1)n2C ZINC000008608021 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(Cl)cc1)n2C ZINC000008608026 JH Annotated Anodyne CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)n(C)c2)CC1 ZINC000008609791 JH Annotated Anodyne CCc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000008610804 JH Annotated Anodyne CCc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000008610807 JH Annotated Anodyne CCc1nn(CCCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc3occc3n12 ZINC000008611197 JH Annotated Anodyne CCc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)c5cccc(Cl)c5)C4)nc32)cc1 ZINC000008611560 JH Annotated Anodyne CCc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5cccc(Cl)c5)C4)nc32)cc1 ZINC000008611562 JH Annotated Anodyne Cc1cc(C(F)(F)F)cc(-n2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)nc2N)n1 ZINC000008651893 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)/C=C/c1ccccc1 ZINC000008661101 JH Annotated Bother CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC/C(O)=N/Cc3ccc(C)cc3)c21 ZINC000008661127 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccc(OC)cc3)c21 ZINC000008661265 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC/C(O)=N/Cc3ccc(C)o3)c21 ZINC000008661267 JH Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3C(=O)N1CC2 ZINC000008661586 JH Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3C(=O)N1CC2 ZINC000008661588 JH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@](O)(C(=O)N2CCCC2)N1c1c(F)cccc1F ZINC000008661978 JH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@](O)(C(=O)N2CCCC2)N1c1c(F)cccc1F ZINC000008661979 JH Annotated Anodyne CC1CCN(CCC/N=C(\O)c2cc(O)nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc23)CC1 ZINC000008662140 JH Annotated Mild CC1CCN(CCC/N=C(\O)c2cc(O)nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc23)CC1 ZINC000008662141 JH Annotated Mild COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)c1 ZINC000008670785 JH Annotated Reactive COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(-n3ccnc3)cc2)c1 ZINC000008670786 JH Annotated Reactive COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(-n4ccnc4)cc3)c2)cc1 ZINC000008671275 JH Annotated Reactive COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)c2)cc1 ZINC000008671276 JH Annotated Reactive Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000008671800 JH Annotated Anodyne Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)o1 ZINC000008677196 JH Annotated Anodyne Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)o1 ZINC000008677198 JH Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N=C(O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N/CC3CC3)OC(=O)N2C1=O ZINC000008679876 JH Annotated Mild CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(C)C(=O)N(Cc3ccccc3)C(=O)N2C1=O ZINC000008679967 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3cccc(C)c3)C(C)C)CC2)cc1 ZINC000008680225 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3cccc(C)c3)C(C)C)CC2)cc1 ZINC000008680226 JH Annotated Anodyne Cc1cc(C)c2nc(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)sc2c1 ZINC000008680396 JH Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)O[C@@H]1C(=O)c2cc(OC)ccc2O[C@H]1c1cccc(OC)c1)C(=O)OC ZINC000008681960 JH Annotated Anodyne COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1Cc2cc(OC)ccc2O[C@H]1c1cccc(OC)c1 ZINC000008682056 JH Annotated Anodyne Cc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1C ZINC000008682567 JH Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc3cccnc23)cc1 ZINC000008683283 JH Annotated Reactive CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CC/N=C(\C)C2=C(O)CC(C)(C)CC2=O)CC1 ZINC000008684195 JH Annotated Mild CCOc1ccc(/C=N/N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1OC ZINC000008685117 JH Annotated Mild O=C1CC[C@@H](C(=O)OCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)N1 ZINC000008685837 JH Annotated Anodyne C=CCOc1ccc(/C=N/N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1 ZINC000008690556 JH Annotated Mild Cc1ccccc1/N=C(S)\N=N\c1c(O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000008690917 JH Annotated Mild Cc1cccc(NC(=S)/N=N\c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000008690919 JH Annotated Clean Cc1ccc(NC(=S)/N=N\c2c(O)n(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1 ZINC000008690923 JH Annotated Clean CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2F)C1 ZINC000008690991 JH Annotated Anodyne COc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2COCCO2)c1 ZINC000008716786 JH Annotated Anodyne COc1ccc(/C=N/n2cnc3c4cc(Br)ccc4nc-3c2O)cc1CN1CCOCC1 ZINC000008829129 JH Annotated Mild COc1ccc(C2=CC3=C(Br)C(=O)[C@@](C)(OC(=O)c4ccco4)C(=O)C3=CO2)cc1 ZINC000008860648 JH Annotated Mild COc1ccc(C2=CC3=C(Br)C(=O)[C@](C)(OC(=O)c4ccco4)C(=O)C3=CO2)cc1 ZINC000008860649 JH Annotated Mild Cc1nnc(-n2c(O)cc(=O)n(-c3ccccc3)c2=S)nc1/C=C/c1ccc(N(C)C)cc1 ZINC000008863579 JH Annotated Clean Cc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c(C)c1 ZINC000008871947 JH Annotated Mild Cc1cc(=O)oc2c3c(cc(OCC(=O)NCC4CCC(C(=O)O)CC4)c12)OC(C)(C)CC3 ZINC000008877097 JH Annotated Anodyne CC[C@@H](C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000085488908 JH Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2CC(=O)O[C@H](C[C@H](CCc3cc(OC)c(O)c(OC)c3)OC(C)=O)C2)ccc1O ZINC000085493359 JH Annotated Anodyne in-vitro biogenic CNC[C@@H](CCC[C@H](CCCCC[C@@H](C)C=O)Cc1ccc(O)cc1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510387 JH Annotated Mild in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532316 JH 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](C)C5)N4C3)[C@H]2[C@@H]1C ZINC000085532353 JH 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](C)C1 ZINC000085532355 JH Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1C[C@H](Cc2ccccc2)C[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532435 JH Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CCC(C)C)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532526 JH Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532529 JH Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532546 JH 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]1C(C)(C)CC[C@H]2O ZINC000085542279 JH Annotated Anodyne in-vitro biogenic CC1(C)CC[C@H](O)[C@@]2(C)[C@]13C=CO[C@]2(CCC1=CC(=O)OC1)[C@@]1(C)C#CCCC(=O)O[C@@H]3C1 ZINC000085542330 JH Annotated Mild in-vitro biogenic CNCc1cc(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 ZINC000085543032 JH Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@@H]1CCC[C@@H](C1)[C@@]13CC[C@@H](C(C)(C)O1)[C@](N)(CCO)[C@H]3C#CC2 ZINC000085543087 JH Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@H]1CCC[C@@H]3[C@@H]1CC[C@H]1C[C@H]4C(C)(C)O[C@]13[C@@H](C#CC2)[C@]4(N)CCO ZINC000085543094 JH Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNC)c4)c3)(C1(C)C)[C@]2(O)OC ZINC000085546261 JH Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(C4(CCO)CCCC4)c3)(C1(C)C)[C@]2(O)OC ZINC000085546308 JH Annotated Mild in-vitro biogenic CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]43C[C@@H](CCC[C@H](C)O)C[C@H]3[C@@H]2N1 ZINC000085547404 JH Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2CC[C@H]3[C@H](N[C@H]4[C@@H]5C[C@@H](O)[C@]46CCC[C@@H]6CC[C@H]35)[C@@H]2[C@]2(O)CN12 ZINC000085547674 JH Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1N2[C@H]3C=C[C@@]14CC[C@H]1C[C@@H]5C[C@@H](O)C6(CCCC6)[C@@H]5N[C@H]1[C@@H]4[C@]32O ZINC000085547677 JH Annotated Anodyne in-vitro biogenic 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]3[C@@H](O)CC[C@H]3N2)cc1 ZINC000085547736 JH Annotated Anodyne in-vitro biogenic O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H](CN[C@H]3CC[C@@H](O)C34CCCC4)[C@@]3(O)CN23)cc1 ZINC000085547755 JH Annotated Anodyne in-vitro biogenic C[C@@H]1[C@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549455 JH Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@@]42CC3=O ZINC000085549517 JH Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@H]1CC=C[C@@H](C3=O)[C@@]412 ZINC000085549521 JH Annotated Reactive in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567563 JH Annotated Clean in-vitro biogenic COc1cc([C@@H]2COc3cc(O)c4c(c3[C@H]2O)CCc2c(OC)cc(O)cc2-4)cc(OC)c1O ZINC000085567621 JH Annotated Anodyne in-vitro biogenic CNCOc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567632 JH Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3ccc4c(c3[C@H]2O)CCc2c(OC)cc(O)cc2-4)cc(OCCCO)c1O ZINC000085567639 JH Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)c(O)c(OC)c1O ZINC000085567875 JH Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3CC4)C[C@H]2O)ccc1O ZINC000085568158 JH Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(CCCO)c1O ZINC000085568227 JH Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568467 JH Annotated Anodyne in-vitro biogenic C=CCc1ccc(O[C@H]2O[C@H]([C@@H](O)CCCO)[C@@H](O)[C@H](O)[C@H]2OCCCCC2CCCCC2)cc1 ZINC000085592253 JH Annotated Mild in-vitro biogenic COC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592722 JH Annotated Clean in-vitro biogenic COCCC[C@@H]1Oc2ccc3c(c2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O)CCCO3 ZINC000085592980 JH Annotated Anodyne in-vitro biogenic COc1cc(Cc2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 ZINC000085592997 JH Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085593004 JH Annotated Anodyne in-vitro biogenic COc1cc2c(cc1CCCO)OC[C@@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H]2O ZINC000085593007 JH Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1OCCc1ccnc(N)c1)CO2 ZINC000085593016 JH Annotated Anodyne in-vitro biogenic CC(C)CCC[C@]1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593553 JH Annotated Anodyne in-vitro biogenic C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(C4(O)CCCC4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593573 JH Annotated Clean in-vitro biogenic CCCOc1c2c(cc3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c13)O[C@H](C(C)(C)O)C2 ZINC000085594461 JH Annotated Anodyne in-vitro biogenic COc1c2c(c(C(C)C)c3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c13)O[C@H](C(C)(C)O)C2 ZINC000085594469 JH Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC=O)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594675 JH Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2ccnc(N)c2)Cc2cc3cc(CCCO)c(=O)oc3cc2O1 ZINC000085594680 JH Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2ccc(N)nc2)Cc2cc3cc(CCCO)c(=O)oc3cc2O1 ZINC000085594684 JH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2CC(C)C)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595005 JH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C2CC[C@H]3CC(=O)CCC3=C2c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595015 JH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C2C=C[C@@H]3CC(=O)CCC3=C2c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595019 JH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)CCCCO)O3)O1 ZINC000085595023 JH Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595284 JH Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)cc(OCO)c1O ZINC000085595725 JH Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](O)[C@H](CC(=O)CC2(c3ccc(O)c(OC)c3)CCCC2)OC(C)=O)ccc1O ZINC000085595852 JH Annotated Anodyne in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596358 JH Annotated Clean in-vitro biogenic COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC2CCCC2)c1O ZINC000085596676 JH Annotated Anodyne in-vitro biogenic COCCCC(=O)O[C@@H](CCc1ccc(O)c(OC)c1)C[C@@H](CCC[C@H](C)O)OC(C)=O ZINC000085596875 JH Annotated Anodyne in-vitro biogenic C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]4C[C@@H]3O[C@@H]2CC[C@]1(C)O ZINC000085596980 JH Annotated Reactive in-vitro CNC(=N)Nc1cc(C[C@H](/C=C/C(=O)CCc2ccc(O)c(OC)c2)C(C)C)cc(OCO)c1O ZINC000085597081 JH Annotated Mild in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c4c3CCCO4)O2)ccc1O ZINC000085597288 JH Annotated Clean in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H](O)C[C@H](CO)CCCO)c1-c1ccc2ccc(O)cc2c1 ZINC000085597458 JH Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625541 JH Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OCCc3ccccc3)c2)ccc1O ZINC000085625560 JH Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)ccc1O ZINC000085625576 JH Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)c(CO)cc1O ZINC000085626263 JH Annotated Clean in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc3c4c(c1O)O[C@@H](O)C[C@@H]4CCC[C@@H]3C[C@@H](O)CC(=O)CC2 ZINC000085626623 JH Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCCC2)c1)OC(C)=O)CNC(=N)NC ZINC000085628360 JH Annotated Anodyne in-vitro biogenic CCCNC[C@H](CC)CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O ZINC000085628449 JH Annotated Anodyne in-vitro biogenic CC[C@H](CCCO)CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O ZINC000085628474 JH Annotated Anodyne in-vitro biogenic CC[C@H](O)CC[C@@H](C[C@@H](CCc1cc(OC)c(O)cc1-c1ccnc(N)c1)OC(C)=O)OC(C)=O ZINC000085629464 JH Annotated Anodyne in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1ccc(N)nc1 ZINC000085630619 JH Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1ccc(N)nc1 ZINC000085630655 JH Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#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 ZINC000085631232 JH Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#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 ZINC000085631268 JH Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@]1(CC[C@@H](CCCC[C@H]3CCC(=O)C[C@@H]3O)C[C@H]1O)C(=O)CC2 ZINC000085631270 JH Annotated Mild in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@H](CCO)c2ccnc(N)c2)c1 ZINC000085631629 JH Annotated Mild in-vitro biogenic Nc1cc(CCCOc2cc(CC[C@@H](O)[C@H]3CC#C[C@@H](CCO)CCCC[C@@H]3O)ccc2O)ccn1 ZINC000085632060 JH Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632449 JH Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC)c2)ccc1O ZINC000085632473 JH Annotated Mild in-vitro biogenic O=c1cc(O)cc(/C=C/c2cc(O)c(O)cc2-c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)o1 ZINC000085637491 JH Annotated Clean C[C@H](Br)[C@@H]1O[C@@H]2C[C@@H](C=C=CBr)O[C@@H]2[C@@H](Br)[C@@H](O)[C@H]2C[C@H]21 ZINC000085639129 JH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](OC(=O)/C=C\SC)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@]12O3 ZINC000085642937 JH Annotated Anodyne biogenic Cc1ccc(-n2nc(N3CCCN(C(=O)CSCc4ccc(F)cc4)CC3)ccc2=O)cc1C ZINC000085653927 JH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](C)[C@H](OC(=O)/C=C\SC)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675975 JH Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1[C@]2(C)[C@H](C)[C@H](OC(=O)/C=C\SC)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675979 JH Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@H](C)[C@H](OC(=O)/C=C\SC)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675981 JH Annotated Anodyne in-man CC(C)=CCC/C(=C/CC[C@@]1(C)C2=C(C(=O)C(C)=C(O)C2=O)[C@H](O)[C@@H]2[C@@H]1CC[C@@]2(C)O)C(=O)O ZINC000085813776 JH Annotated Mild O=C(OC[C@]12C=C[C@H](OC(=O)c3ccccc3)[C@H](O)[C@@H]1Cc1cc(O)ccc1O2)c1ccccc1 ZINC000085828931 JH Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@]3(OC)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000085834694 JH Annotated Anodyne O=C1O[C@]2(Cc3ccc(cc3)Oc3cc(ccc3O)CCOC2=O)C(c2ccc(O)cc2)=C1O ZINC000085835230 JH Annotated Anodyne CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N1)N23 ZINC000085847325 JH Annotated Mild C/C=C(\C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085869868 JH Annotated Anodyne in-man C/C=C(\C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085869870 JH Annotated Anodyne in-man C/C=C(\C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085869874 JH Annotated Anodyne in-man C/C=C(\C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085869880 JH Annotated Anodyne in-man CC[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@@H](C)C(=O)O ZINC000085881230 JH Annotated Anodyne CCCCC/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C3=C(C)C[C@H](O)CC3=O)OC=C2C1=O ZINC000085908150 JH Annotated Mild CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C[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@]213 ZINC000085932307 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C[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@]213 ZINC000085932311 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C[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 ZINC000085932313 JH Annotated Anodyne in-man CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C[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 ZINC000085932318 JH Annotated Anodyne in-man CCOC1=CC(=O)c2c(cc(C)c(-c3c(C)cc(O)c4c3C(=O)C=C(OCC)C4=O)c2O)C1=O ZINC000085944786 JH Annotated Mild CCOC1=CC(=O)c2cc(C)c(-c3c(C)cc(O)c4c3C(=O)C=C(OCC)C4=O)c(O)c2C1=O ZINC000085944789 JH Annotated Mild CCOC1=CC(=O)c2c(cc(C)c(-c3c(C)cc(O)c4c3C(=O)C(OCC)=CC4=O)c2O)C1=O ZINC000085944791 JH Annotated Mild CCOC1=CC(=O)c2cc(C)c(-c3c(C)cc(O)c4c3C(=O)C(OCC)=CC4=O)c(O)c2C1=O ZINC000085944794 JH Annotated Mild COC1=CC(=O)[C@]23COc4c5c(cc(c42)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@H](C)C(=O)C3=C1)OCO5 ZINC000085954216 JH Annotated Mild COc1cc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@H]23)cc(OC)c1O ZINC000086022507 JH Annotated Clean in-vitro biogenic COC[C@@H](C)C1=N[C@@H](c2nc(/C=C/[C@H](OC)[C@@H](C)/C(=C\C(=O)OC)OC)cs2)CS1 ZINC000086033435 JH Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C=C(C)C)(C1)[C@H]23 ZINC000086052974 JH Annotated Anodyne CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)C(=O)C[C@@H]42)C=C3[C@@H](O)[C@@H]1O ZINC000087529856 JH Annotated Anodyne in-vitro CCNC1(C(N)=O)CN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc(Cl)c3)n2)C1 ZINC000087672112 JH Annotated Anodyne CCC[C@@H]1[C@@H]2[C@@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C ZINC000087705710 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260750 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260751 JH Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 ZINC000088260784 JH Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 ZINC000088260785 JH Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCC1)CC2 ZINC000088260786 JH Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2 ZINC000088260787 JH Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cc(F)cc(F)c1 ZINC000088260997 JH Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cc(F)cc(F)c1 ZINC000088260998 JH Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cc(F)cc(F)c1 ZINC000088260999 JH Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cc(F)cc(F)c1 ZINC000088261000 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCCC2)CC3)c1 ZINC000088261051 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCCC2)CC3)c1 ZINC000088261052 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCCC2)CC3)c1 ZINC000088261053 JH Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCCC2)CC3)c1 ZINC000088261054 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088261155 JH Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088261156 JH Annotated Anodyne CCNC(=O)O[C@@H]1CC[C@@H]2[C@@H](C(=O)Nc3ccc(N(C)C)cc3)C[C@H]1N2Cc1ccccc1 ZINC000089469624 JH Annotated Anodyne CC[C@@H](CO)NC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 ZINC000089943547 JH Annotated Anodyne CC[C@H](CO)NC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 ZINC000089943550 JH Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2NC(=O)C2=C(C)OCCS2)C1 ZINC000009115169 JH Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2NC(=O)C2=C(C)OCCS2)C1 ZINC000009115172 JH Annotated Anodyne O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000009119804 JH Annotated Anodyne CCCCN1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)C1=O ZINC000009127773 JH Annotated Anodyne CCCCN1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)C1=O ZINC000009127774 JH Annotated Anodyne O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009153358 JH Annotated Anodyne O=C([C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009153359 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1ccccc1 ZINC000009158204 JH Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211093 JH Annotated Anodyne CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1ccc(C)cc1 ZINC000009216343 JH Annotated Anodyne COc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000009260814 JH Annotated Anodyne COc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000009260817 JH Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)ccc1Cl ZINC000009403478 JH Annotated Anodyne O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000009407598 JH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)CC1 ZINC000009407712 JH Annotated Anodyne CC[C@@H](C)N(CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)Cc1ccco1 ZINC000009431759 JH Annotated Anodyne CC[C@H](C)N(CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)Cc1ccco1 ZINC000009431761 JH Annotated Anodyne O=C1CC[C@@H](C(=O)OCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)N1 ZINC000009439388 JH Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000009441725 JH Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000009441731 JH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)c1 ZINC000009464620 JH Annotated Anodyne CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CCOc1ccc(C)cc1 ZINC000009466111 JH Annotated Anodyne Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)N4C[C@@H](C)C[C@@H](C)C4)n3n2)n1 ZINC000009472027 JH Annotated Anodyne CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 ZINC000009487371 JH Annotated Anodyne CC[C@@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cc(Cl)ccc3OC)cc2c1=O ZINC000009490556 JH Annotated Anodyne CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cc(Cl)ccc3OC)cc2c1=O ZINC000009490557 JH Annotated Anodyne CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCCC3)c(=O)c2c1 ZINC000009490570 JH Annotated Anodyne C/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C/c1ccc(OC(F)F)c(OC)c1 ZINC000009493817 JH Annotated Mild C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/Cc4ccccc4)c(=O)c3c2)C1 ZINC000009495452 JH Annotated Mild C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/Cc4ccccc4)c(=O)c3c2)C1 ZINC000009495455 JH Annotated Mild C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/Cc4ccccc4)c(=O)c3c2)C1 ZINC000009495457 JH Annotated Mild Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000009498521 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598100 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598102 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3Cl)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598124 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3Cl)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598126 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598136 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598138 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4F)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598144 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598146 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4F)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598164 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598166 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@H](c4cccs4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598176 JH Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cccs4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 ZINC000009598178 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598185 JH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598186 JH Annotated Anodyne Cc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 ZINC000009598201 JH Annotated Anodyne CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N3CCCC[C@H]3CC)c2=O)CCC4)cc1 ZINC000009615310 JH Annotated Anodyne CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N3CCCC[C@@H]3CC)c2=O)CCC4)cc1 ZINC000009615311 JH Annotated Anodyne O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NCc1ccco1 ZINC000009616533 JH Annotated Anodyne O=C(c1ccc(-n2ccc3ccccc32)s1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000009637404 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=N\c1sc(N)nc1-c1ccccc1 ZINC000009662127 JH Annotated Clean O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2)N1CCC2(CC1)OCCO2 ZINC000009673029 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(C)c3ccc(OC)cc3)c21 ZINC000009673103 JH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCCc2ccccc2Cl)C[C@H]1C ZINC000009673107 JH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCCc2ccccc2Cl)C[C@@H]1C ZINC000009673108 JH Annotated Anodyne O=C(c1cccn2c(=O)c3c4c(sc3nc12)CCCC4)N1CCN(c2ccc(F)cc2)CC1 ZINC000009677774 JH Annotated Anodyne COc1ccc(N2CCN(C(=O)c3cccn4c(=O)c5c6c(sc5nc34)CCCC6)CC2)cc1 ZINC000009677790 JH Annotated Clean CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCc3ccccc31)cn2C ZINC000009724848 JH Annotated Anodyne O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000009725271 JH Annotated Anodyne O=C(OCc1nc2ccsc2c(=O)[nH]1)c1cc(Br)c(Br)s1 ZINC000009766766 JH Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000009777358 JH Annotated Anodyne Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000009777360 JH Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000009823828 JH Annotated Anodyne O=c1c2cccnc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1Cc1ccccc1 ZINC000009830276 JH Annotated Anodyne COc1cccc(-n2c(SCc3cc(=O)n4cc(Cl)ccc4n3)nc3ncccc3c2=O)c1 ZINC000009830390 JH Annotated Anodyne Cc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)c3ccc(Br)cc3)c2=O)cc1 ZINC000009830919 JH Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)cc1 ZINC000009835466 JH Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)cc1 ZINC000009835470 JH Annotated Anodyne Cc1nc2nc(SCC(=O)NCCCN3CCCC3)nn2c(C)c1Cc1ccccc1Cl ZINC000009841173 JH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NC3CCCCCC3)c21 ZINC000009841362 JH 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)CCC(=O)[C@@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000095098929 JH Annotated Anodyne in-vitro biogenic 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=CC(=O)[C@@]1(C)[C@H]23 ZINC000095099225 JH Annotated Mild in-vitro biogenic CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cc(C(C)=O)cs3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000095548114 JH Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(SC4CCCCC4)c(OC)c3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000095548722 JH Annotated Anodyne COC[C@H]1O[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC ZINC000095549925 JH Annotated Reactive COC[C@@H]1O[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC ZINC000095549926 JH Annotated Reactive O=C(NCc1ccc(OCCC(F)(F)F)nc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095553223 JH Annotated Anodyne O=C(NCc1ccc(OCCC(F)(F)F)nc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095553224 JH Annotated Anodyne O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1 ZINC000095553657 JH Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2C(=O)COC2=O)CC1 ZINC000095553866 JH Annotated Anodyne Cc1cc2c(cc1Cl)NC(=O)[C@]2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095554037 JH Annotated Anodyne Cc1cc2c(cc1Cl)NC(=O)[C@@]2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095554038 JH Annotated Anodyne CCN1CCN(CC(=O)N[C@@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 ZINC000095554059 JH Annotated Anodyne CCN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 ZINC000095554060 JH Annotated Anodyne O=C(NCc1ccc(F)c(C(F)(F)F)c1)[C@H]1c2ccccc2C(=O)N1CCc1ncc(F)cn1 ZINC000095554077 JH Annotated Anodyne O=C(NCc1ccc(F)c(C(F)(F)F)c1)[C@@H]1c2ccccc2C(=O)N1CCc1ncc(F)cn1 ZINC000095554078 JH Annotated Anodyne CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cccnc4C)cn23)nc(C)n1 ZINC000095554484 JH Annotated Anodyne CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cnn(C(C)C)c4)cn23)nc(C)n1 ZINC000095555129 JH Annotated Anodyne NS(=O)(=O)c1ccc(N/N=C/c2cc(C(=O)N/N=C\C=C\c3ccccc3)c3ccccc3n2)cc1 ZINC000095555332 JH Annotated Reactive O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(NC[C@@H](O)CO)nc(-c2ccccc2)n1 ZINC000095556158 JH Annotated Anodyne CC(C)(NC(=O)OCc1ccccc1)c1nc(O)c(O)c(NC(=O)NCc2ccc(F)cc2)n1 ZINC000095557841 JH Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@H]2c2ccc(F)cc2)cc(Br)c1Br ZINC000095558412 JH Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@@H]2c2ccc(F)cc2)cc(Br)c1Br ZINC000095558413 JH Annotated Anodyne COCC[C@@H](Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 ZINC000095558425 JH Annotated Anodyne CCCNc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O ZINC000095558547 JH Annotated Anodyne CCC(CC)Nc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(C)=O)cn2)ccc1C(N)=O ZINC000095558627 JH Annotated Anodyne Cc1cc(C(N)=O)c(NC(C)C)cc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2c1ccc(C(=O)C2CC2)cn1 ZINC000095558636 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095559003 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095559005 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095559007 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095559009 JH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2cc3c(c(O)c2O)C(=O)N(Cc2ccc(F)c(Cl)c2)C3)cc1 ZINC000095559054 JH Annotated Clean COc1cnc(-c2c(F)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095559169 JH Annotated Anodyne NC(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)cc1NCC1CC1 ZINC000095559328 JH Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@H]2c2ccc(F)cc2)cc(Br)c1Br ZINC000095559527 JH Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(F)cc2)cc(Br)c1Br ZINC000095559528 JH Annotated Anodyne COC1CN(C(=O)c2c(NC(=O)c3c(F)cccc3C(F)(F)F)sc3c2CCOC3)C1 ZINC000095559553 JH Annotated Anodyne O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1c(F)cccc1C(F)(F)F ZINC000095559577 JH Annotated Anodyne COc1cc2occ(-c3c(Br)c(OC)c4c(c3OC)OCO4)c(=O)c2cc1OC ZINC000095559608 JH Annotated Anodyne COC(=O)c1nc(C#Cc2ccc3ccc4cccc5ccc2c3c45)n(COCCOC(C)=O)n1 ZINC000095559706 JH Annotated Mild Cc1ncc(-c2ccccc2CCNC(=O)c2ccc(C(=O)NCCCC(F)(F)F)nc2)cn1 ZINC000095560059 JH Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@H]2c2ccccc2)cc(Br)c1Br ZINC000095560155 JH Annotated Anodyne Cn1c(C(=O)NN2C(=O)CCS[C@@H]2c2ccccc2)cc(Br)c1Br ZINC000095560156 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095560220 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095560222 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095560323 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095560325 JH Annotated Anodyne COc1c(-c2ccc(O)cc2)oc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000095560961 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095561287 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095561289 JH Annotated Anodyne Cc1c(Cc2ccc(=O)n(Cc3ccc(C(C)(C)O)cc3)n2)c2cc(F)ccc2n1CC(=O)O ZINC000095561333 JH Annotated Anodyne COc1ncc(-c2cccnc2C(F)(F)CNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1 ZINC000095561557 JH Annotated Anodyne COc1cnc(-c2c(OC)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095561673 JH Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3F)c(=O)n3ccccc23)CC1 ZINC000095562133 JH Annotated Mild C[C@]12CC[C@H](N3CC[N+](C)(C)CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O ZINC000095562309 JH Annotated Bother CC[C@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1 ZINC000095562536 JH Annotated Anodyne CC(C)C(=O)c1ccc(N2[C@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000095562570 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095562902 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(c3cc(F)ccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095562904 JH Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)Cc1ccnc(F)c1 ZINC000095563368 JH Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)Cc1ccnc(F)c1 ZINC000095563369 JH Annotated Anodyne CCCCc1c(O)c(O)c2c(c1S(=O)(=O)N(C)C)CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095563985 JH Annotated Clean COc1ncc(-c2c(C)ccc(F)c2CCNC(=O)c2ccc(OCC(F)(F)F)nc2)cn1 ZINC000095564260 JH Annotated Anodyne Nc1cccc(CN2C(=O)CN(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1 ZINC000095564804 JH Annotated Anodyne NCCCNCCCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1 ZINC000095564843 JH Annotated Mild Nc1ccc(CN2C(=O)CN(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=O)cc1 ZINC000095564948 JH Annotated Clean O=C1c2c(-c3ccc(Br)cc3)noc2CCN1Cc1cn(-c2ccccc2)nn1 ZINC000095564995 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095566562 JH Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)NCCOC)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095566591 JH Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095566599 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C#N)c4)cc3[C@@H]21 ZINC000095566903 JH Annotated Mild O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1 ZINC000095567068 JH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]12C ZINC000095567405 JH Annotated Anodyne O=C1NC[C@H](Cc2ccc(O)cc2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000095567642 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095567716 JH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095568129 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095568824 JH Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCc1c[nH]c2ccccc12 ZINC000095569099 JH Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCc1c[nH]c2ccccc12 ZINC000095569100 JH Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095569109 JH Annotated Anodyne COc1ccc(Cn2cc(CN3CCc4onc(-c5ccc(Br)cc5)c4C3=O)nn2)cc1 ZINC000095569173 JH Annotated Anodyne CCOC(=O)N1CCN([C@@H](c2ccnc3ccccc23)c2nnnn2-c2c(C)cccc2C)CC1 ZINC000095569189 JH Annotated Anodyne CCOC(=O)N1CCN([C@H](c2ccnc3ccccc23)c2nnnn2-c2c(C)cccc2C)CC1 ZINC000095569190 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095569440 JH Annotated Anodyne O=C1NC[C@@H](Cc2ccc(O)cc2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000095569517 JH Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095569629 JH Annotated Mild CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C(C)C)C(=O)c1cc(OC)ccc12 ZINC000095569676 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccc(C)cc1 ZINC000095569760 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccc(C)cc1 ZINC000095569761 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095569918 JH Annotated Anodyne COc1ccc(-n2nnnc2[C@@H](CCSC)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095570072 JH Annotated Anodyne COc1ccc(-n2nnnc2[C@H](CCSC)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095570073 JH Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095570131 JH Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095570158 JH Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095570239 JH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095570252 JH Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095570351 JH Annotated Mild COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095570411 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095570476 JH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095570559 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1cccc(C)c1 ZINC000095570569 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1cccc(C)c1 ZINC000095570570 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095570609 JH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095570844 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095570903 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095571040 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095571196 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095571242 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000095571419 JH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000095571420 JH Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC3CCCCC3)O[C@H]2[C@@]1(C)F ZINC000095571966 JH Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC3CCCCC3)O[C@H]2[C@@]1(C)F ZINC000095571967 JH Annotated Anodyne NCCNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000095572633 JH Annotated Anodyne COc1cn(-c2ccc(N3CC(F)(F)C3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O ZINC000095572776 JH Annotated Anodyne CC(C)COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095572912 JH Annotated Anodyne NCCCNC(=O)C(CN)(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000095573570 JH Annotated Anodyne Nc1cccc(CN2C(=O)CN(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=O)c1 ZINC000095573725 JH Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(/C=C/CCO)c2)cc1 ZINC000095575018 JH Annotated Mild CO[C@@H](c1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2)[C@H](O)C(C)(C)O ZINC000095575628 JH Annotated Anodyne CO[C@H](c1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2)[C@H](O)C(C)(C)O ZINC000095575629 JH Annotated Anodyne CO[C@@H](c1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2)[C@@H](O)C(C)(C)O ZINC000095575630 JH Annotated Anodyne CO[C@H](c1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2)[C@@H](O)C(C)(C)O ZINC000095575631 JH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CC(=O)N2CCCCC2)ccc1-n1cnc(C)c1 ZINC000095575936 JH Annotated Anodyne C[C@H]1C[C@]2(CCN1Cc1ccc(O)c(Cl)c1)CN(C)S(=O)(=O)N2c1cccc(F)c1 ZINC000095576423 JH 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(F)c3)c2)OC1(C)C ZINC000095576740 JH 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(F)c3)c2)OC1(C)C ZINC000095576741 JH 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(F)c3)c2)OC1(C)C ZINC000095576742 JH 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(F)c3)c2)OC1(C)C ZINC000095576743 JH Annotated Anodyne CCCCNC(=O)N1Cc2c(NC(=O)c3ccc(OC)cc3)nn(C(=O)c3ccccc3)c2C1 ZINC000095576786 JH Annotated Anodyne CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](CF)CC3)CC1)c1ccc(Cl)cc1 ZINC000095576945 JH Annotated Anodyne O=C(COc1cc2c(cc1OCC(=O)Nc1ccccc1)[C@@H]1CCC(=O)N1CC2)Nc1ccccc1 ZINC000095577294 JH Annotated Anodyne O=C(COc1cc2c(cc1OCC(=O)Nc1ccccc1)[C@H]1CCC(=O)N1CC2)Nc1ccccc1 ZINC000095577295 JH Annotated Anodyne Cc1cn([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095578198 JH Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CN1CCNCC1)c1cccc(F)c1 ZINC000095578537 JH Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CN1CCNCC1)c1cccc(F)c1 ZINC000095578538 JH Annotated Anodyne CN(C)CCCn1c2ccccc2c2nc3ccccc3c(N3CCN(CCN(C)C)CC3)c21 ZINC000095578542 JH Annotated Bother CCc1n[nH]c2ccc(CN3CC[C@@]4(C[C@@H]3C)CN(C)S(=O)(=O)N4c3cccc(F)c3)cc12 ZINC000095578580 JH Annotated Anodyne CCCOC[C@@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 ZINC000095578596 JH Annotated Bother CCCOC[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 ZINC000095578597 JH Annotated Bother CCN(CC)/[N+]([O-])=N/OCOC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000095578802 JH Annotated Clean COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3nc(C)ccc3c2=O)cc1 ZINC000095579217 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOc3ccc(C(F)(F)F)cc32)cc1NC1CCN(C)CC1 ZINC000095579349 JH Annotated Anodyne COc1cc(Nc2nc3c(c(Cc4ccccc4)n2)CN(CCO)CC3)ccc1-n1cnc(C)c1 ZINC000095579451 JH Annotated Anodyne COc1cc([C@H](O)c2c(OC)cnn([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000095579469 JH Annotated Anodyne COc1cc([C@@H](O)c2c(OC)cnn([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000095579470 JH Annotated Anodyne COC(=O)[C@H]1CN(CCC(=O)N2CCCCC2)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12 ZINC000095579523 JH Annotated Anodyne O=C(O[C@@H]1CCSc2ccc(Br)cc21)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12 ZINC000095579711 JH Annotated Anodyne O=C(O[C@H]1CCSc2ccc(Br)cc21)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12 ZINC000095579712 JH Annotated Anodyne CN1C(=N)N[C@@]2(c3cc(-c4ccc(F)c(C#N)c4)cs3)CN(C(=O)c3cccc(F)c3)C[C@H]2C1=O ZINC000095579770 JH Annotated Mild CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OCc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000095580173 JH Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OCc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000095580174 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CC(C)(C)Oc3ccc(F)cc32)cc1NC1CCN(C)CC1 ZINC000095580261 JH Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095580463 JH Annotated Anodyne O=C(N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)c1ccccn1 ZINC000095580508 JH Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1 ZINC000095580791 JH Annotated Anodyne NC1=NCN=C1c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl ZINC000095581063 JH Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2ccnn2CCO)c(F)c1 ZINC000095581065 JH Annotated Anodyne O=C(O)Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095581237 JH Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(Br)c(Cl)c3C)CC2)ccc1Cl ZINC000095581493 JH Annotated Anodyne COCc1cnn(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c1 ZINC000095581723 JH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-n1ccnn1 ZINC000095581789 JH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1N ZINC000095582058 JH Annotated Mild CN(C)Cc1cnn(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c1 ZINC000095582102 JH Annotated Mild Cn1cc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c(N)n1 ZINC000095582229 JH Annotated Mild Cn1nccc1-c1cc(CCO)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1C#N ZINC000095582231 JH Annotated Mild Cn1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(C#N)c2)n1 ZINC000095582370 JH Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cccnn2)cc1C#N ZINC000095582388 JH Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F ZINC000095582595 JH Annotated Anodyne O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ncc(-c2ccco2)cn1 ZINC000095582671 JH Annotated Anodyne Cc1nonc1NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2C)c(C#N)c1 ZINC000095582816 JH Annotated Mild CN(C)c1ncc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2ccc(F)cc2)n1 ZINC000095582822 JH Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cc[nH]n2)cc1C#N ZINC000095582918 JH Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl ZINC000095583069 JH Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2cccs2)C1 ZINC000095583381 JH Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2cccs2)C1 ZINC000095583382 JH Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)CC2)ccc1Cl ZINC000095583454 JH Annotated Anodyne Cc1ccc(-c2nc(N(C)C)ncc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1 ZINC000095583456 JH Annotated Mild CCOC(=O)c1cnn(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c1 ZINC000095583555 JH Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN(C)C)CC2)ccc1Cl ZINC000095583572 JH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)cc(F)c1Oc1ccc(F)cc1-c1cn[nH]c1 ZINC000095583859 JH Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095584481 JH Annotated Mild Cc1n[nH]cc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C(N)=O ZINC000095584603 JH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)cc(F)c1Oc1ccc(F)cc1-c1ccn[nH]1 ZINC000095584788 JH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cnc(N)nc1-c1ccc(Cl)cc1 ZINC000095584835 JH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1Oc1ccccc1C(N)=O ZINC000095585003 JH Annotated Mild CN(C)c1ncc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2ccccc2F)n1 ZINC000095585109 JH Annotated Mild CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC2CCNCC2)c(Cl)c1 ZINC000095585133 JH Annotated Anodyne Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cnccn2)cc1C#N ZINC000095585189 JH Annotated Mild Cc1cn(Cc2ccccc2)nc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095585220 JH Annotated Mild O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2Br)CC1 ZINC000095585257 JH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cn2cccn2)cc1F ZINC000095585348 JH Annotated Mild Cn1ccc(-c2c(F)cccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)n1 ZINC000095585369 JH Annotated Mild Cc1cc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)n(CCO)n1 ZINC000095585373 JH Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1c(F)cc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095585522 JH Annotated Mild Cn1nccc1-c1c(F)cccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095585559 JH Annotated Mild COc1cc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)ccc1-n1cccn1 ZINC000095585624 JH Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(C)o2)C1 ZINC000095585714 JH Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(C)o2)C1 ZINC000095585715 JH Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F ZINC000095585749 JH Annotated Anodyne Cc1cc(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)ccc1S(C)(=O)=O ZINC000095585936 JH Annotated Anodyne Cc1c(CCOCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095586556 JH Annotated Clean CC1=C(C(=O)N2CCOCC2)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1 ZINC000095586961 JH Annotated Mild Cc1ccc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)cn1 ZINC000095587338 JH Annotated Anodyne CC1=C(C(=O)NCCN(C)C)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1 ZINC000095587645 JH Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c2C)C1=O ZINC000095589642 JH Annotated Mild CCc1[nH]c2nc(Sc3ccc4c(N)nc(C)nc4c3)nc(N3CC[C@H](N)C3)c2c1Cl ZINC000095589708 JH Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4c(N)nc(C)nc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095589709 JH Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2n(c1CC)Cc1c(c3ccccc3n1C)C2 ZINC000095589793 JH Annotated Anodyne CCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C(=O)Nc3ccc(N(C)C)cc3)C[C@H]1N2Cc1ccccc1 ZINC000095589861 JH Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095589983 JH Annotated Anodyne CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000095590220 JH Annotated Mild CCCCn1c(-c2cc(-c3cccc4[nH]ncc34)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 ZINC000095590412 JH Annotated Anodyne Cc1cc(S(C)(=O)=O)ccc1C(=O)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095590540 JH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4CCCN[C@H]4C3)c2c1Cl ZINC000095591313 JH Annotated Anodyne Cn1cc(-c2ccc(CN3C(=O)[C@@]4(CCN(c5ncccn5)C4)c4ccccc43)c(F)c2)cn1 ZINC000095591421 JH Annotated Anodyne Cn1cc(-c2ccc(CN3C(=O)[C@]4(CCN(c5ncccn5)C4)c4ccccc43)c(F)c2)cn1 ZINC000095591422 JH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@]4(CCCN4)C3)c2c1Cl ZINC000095591849 JH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@@]4(CCCN4)C3)c2c1Cl ZINC000095591850 JH Annotated Anodyne COC1=C[C@H]2[C@H]3Cc4c(/C=C/C(=O)OC5CCCCC5)cc(OC)c(O)c4[C@@]2(CCN3C)CC1=O ZINC000095592805 JH Annotated Mild Cc1cnc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)[C@H](C)C4)c[nH]c23)s1 ZINC000095593098 JH Annotated Anodyne Cc1c(Oc2ccc(-n3cnnn3)cc2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C ZINC000095593267 JH Annotated Anodyne CN(CCC[C@]1(O)[C@H]2CCN(CC(F)(F)F)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1 ZINC000095593938 JH Annotated Clean NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12 ZINC000095593989 JH Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3cccnc3)CC2)C1 ZINC000095594067 JH Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccn3)CC2)C1 ZINC000095594215 JH Annotated Anodyne CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCCCC(=O)O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000095594636 JH Annotated Bother Nc1cccnc1C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 ZINC000095595180 JH Annotated Anodyne CC(C)CN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1 ZINC000095595204 JH Annotated Clean COc1ccc(NC(=O)c2ccc(C[S@](C)=O)c3ccccc23)c(C(=O)NCC2CCOCC2)n1 ZINC000095595475 JH Annotated Anodyne COc1ccc(NC(=O)c2ccc(C[S@@](C)=O)c3ccccc23)c(C(=O)NCC2CCOCC2)n1 ZINC000095595476 JH Annotated Anodyne CC(C)C[C@H](C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1 ZINC000095595835 JH Annotated Anodyne CC(C)C[C@@H](C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1 ZINC000095595836 JH Annotated Anodyne Cc1csc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)[C@H](C)C4)c[nH]c23)n1 ZINC000095595871 JH Annotated Anodyne CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(OC(F)(F)F)c1)c1ccccc1O2 ZINC000095596122 JH Annotated Anodyne COCCc1sc[n+](CCCc2cn(CCc3sc[n+](Cc4ccccc4)c3C)nn2)c1C ZINC000095596363 JH Annotated Anodyne C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c(-c4cccs4)ccnc23)CCN1C(=O)c1ccccc1 ZINC000095596558 JH Annotated Anodyne COc1ccc(-n2c(S)nnc2CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000095596762 JH 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)NCCC(=O)O ZINC000095596894 JH Annotated Bother COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(C(=O)NCC2CCC2)n1 ZINC000095598133 JH Annotated Anodyne Cc1ccc(-n2c(S)nnc2CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000095598324 JH Annotated Anodyne COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1 ZINC000095598446 JH Annotated Reactive COc1ncc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1 ZINC000095598512 JH Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095598751 JH Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095598753 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095599009 JH Annotated Mild CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccco2)C1=O ZINC000095599100 JH Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095599151 JH Annotated Mild CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095599168 JH Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095599257 JH Annotated Mild CCC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095599356 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095599376 JH Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095599391 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095599398 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095599579 JH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095599621 JH Annotated Anodyne O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095599812 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1 ZINC000095599859 JH Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095599928 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095599936 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095600011 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)c1 ZINC000095600022 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(C#N)cc4)cc3[C@H]21 ZINC000095600206 JH Annotated Mild CCCN1[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095600436 JH Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095600463 JH Annotated Mild COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095600543 JH Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095600559 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)c1 ZINC000095600593 JH Annotated Mild CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095600631 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1 ZINC000095600645 JH Annotated Mild CCS(=O)(=O)N1Cc2cc(C(=O)N(C)C)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@H]1CCO ZINC000095600646 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095600657 JH Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095600714 JH Annotated Mild CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095600738 JH Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095600824 JH Annotated Mild COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095600970 JH Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cc2S1(=O)=O ZINC000095601041 JH Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cc2S1(=O)=O ZINC000095601042 JH Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(C)=O)C3=O)o2)cc1 ZINC000095601135 JH Annotated Clean CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(C)=O)C3=O)o2)cc1 ZINC000095601136 JH Annotated Clean Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000095601311 JH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000095601312 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095601314 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095601322 JH Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095601326 JH Annotated Mild Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095601677 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095602380 JH Annotated Anodyne CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccc(F)cc1F ZINC000095602555 JH Annotated Anodyne Cc1ccccc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21 ZINC000095602567 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2OC)[C@@H](CO)N3C)c1 ZINC000095602665 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095602667 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095603004 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2OC)[C@H](CO)N3C)c1 ZINC000095603007 JH Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2nnnn2Cc2ccccc2)cc1OC ZINC000095603042 JH Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2nnnn2Cc2ccccc2)cc1OC ZINC000095603043 JH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095603098 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095603117 JH Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095603130 JH Annotated Mild CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccc(F)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095603344 JH Annotated Anodyne CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1F ZINC000095603555 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccccc5OC)cc4[C@@H]32)c1 ZINC000095603705 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095603783 JH Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccccc2)C1=O ZINC000095604029 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095604034 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095604053 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095604087 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095604105 JH Annotated Mild COc1ccccc1-n1cc(CN2CCc3onc(-c4ccc(Br)cc4)c3C2=O)nn1 ZINC000095604246 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095604247 JH Annotated Anodyne CCN(CC)C[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CN(CC)CC)cc3OC2)cc1 ZINC000095604393 JH Annotated Anodyne CCN(CC)C[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CN(CC)CC)cc3OC2)cc1 ZINC000095604394 JH Annotated Anodyne CCN(CC)C[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)CN(CC)CC)cc3OC2)cc1 ZINC000095604395 JH Annotated Anodyne CCN(CC)C[C@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CN(CC)CC)cc1)=C2 ZINC000095604396 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095604527 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095604535 JH Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095604559 JH Annotated Mild O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095604833 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095604851 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1 ZINC000095605099 JH Annotated Mild Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095605128 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095605144 JH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095605145 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095605148 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095605162 JH Annotated Anodyne O=P(O)(O)C(Nc1ncnc2sc(-c3ccc4ccccc4c3)cc12)P(=O)(O)O ZINC000095605304 JH Annotated Anodyne Cc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3c4occc4ccc32)c1F ZINC000095605354 JH Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095605367 JH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095605374 JH Annotated Anodyne CCCC(=O)O[C@H]1CC/C(C)=C\C=C(\[C@@H](C)C(=O)OC)C(=O)[C@H]2[C@H](C)[C@H](O)C[C@H](OC(C)=O)[C@]12C ZINC000095605444 JH Annotated Mild Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1[C@@H](C[C@@H]1CCCCO1)C(=O)Nc1ncc(F)s1 ZINC000095605525 JH Annotated Anodyne Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1[C@@H](C[C@H]1CCCCO1)C(=O)Nc1ncc(F)s1 ZINC000095605526 JH Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccco2)C1=O ZINC000095605671 JH Annotated Anodyne CO[C@@]1(c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@]1(O)OC ZINC000095615582 JH Annotated Bother CO[C@@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000095615583 JH Annotated Bother CC1=C[C@@H]2[C@@H]3[C@@H]4C(=C(C)[C@@H]3[C@]13[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@](C)(O)[C@H]23)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]4(C)O ZINC000095619383 JH Annotated Anodyne in-man endogenous CO[C@@H]1/C=C/C=C(\C)Cc2cc(O)c(Cl)c(c2)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC1=O ZINC000095627978 JH Annotated Anodyne in-vitro COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095660943 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095660971 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(Cc2ccc(F)cc2)C1 ZINC000095660975 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095660992 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095661028 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095661048 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095661270 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095661298 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095661321 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(Cc2nccs2)CC1 ZINC000095661739 JH Annotated Anodyne COc1ccc(CN2CC3(CCN(C(C)=O)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc1 ZINC000095661835 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095661903 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095661908 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095661920 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095662060 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095662090 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095662120 JH Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)NCCOC)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095662121 JH Annotated Mild CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095662146 JH Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095662167 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095662243 JH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C)cc2)[C@@H](CO)N3)c1 ZINC000095662248 JH Annotated Mild O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095662376 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095662420 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095662442 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095662456 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(Cc2nccs2)CC1 ZINC000095662484 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(C)=O)CC1 ZINC000095662568 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095662606 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095662753 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)NC[C@H]1C ZINC000095662919 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095662986 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095663002 JH Annotated Anodyne COc1cc(CN2CC3(CCN(C)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095663061 JH Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095663071 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095663090 JH Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N3CCN(C)CC3)cc3c2[C@@H](CCO)N(C(=O)NC(C)C)C3)c1 ZINC000095663104 JH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(C)cc2)[C@@H](CO)N3)c1 ZINC000095663159 JH Annotated Mild O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095663230 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2ccncc2)CC1 ZINC000095663233 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095663298 JH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095663312 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#Cc5ccccn5)cc4)[C@H]3C2)cc1 ZINC000095663348 JH Annotated Mild O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095663539 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3ccncc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095663546 JH Annotated Anodyne CCS(=O)(=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095663588 JH Annotated Mild COc1cccc(CN2CC3(CCN(C(C)=O)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095663734 JH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095663814 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C(C)=O)CC1 ZINC000095663985 JH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C)cc2)[C@H](CO)N3)c1 ZINC000095664013 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095664040 JH Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095664061 JH Annotated Anodyne CN1c2ccc(C#Cc3ccccc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095664074 JH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2ccncc2)CC1 ZINC000095664199 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095664238 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095664286 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095664299 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(C)CC1 ZINC000095664344 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095664372 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCC2)C1 ZINC000095664430 JH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095664592 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095664713 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(Cc2cc(F)ccc2F)C1 ZINC000095664727 JH Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095664839 JH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095664895 JH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095664903 JH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095664909 JH Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095664976 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665014 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095665117 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095665157 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095665199 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095665201 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095665361 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095665472 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095665524 JH Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095665547 JH Annotated Mild CCOC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095665548 JH Annotated Mild CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]1CO ZINC000095665737 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095665744 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095665746 JH Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccccc1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095665777 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095665778 JH Annotated Anodyne COCc1cn([C@@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3ccc(OC)cc3)cc2)nn1 ZINC000095665792 JH Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccccc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095665883 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665916 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665918 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665921 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095665931 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095665934 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095665948 JH Annotated Mild CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095665962 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095665967 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095665969 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095666032 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2ccccc2)C1 ZINC000095666075 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2ccccc2)C1 ZINC000095666077 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@H]2N1C(C)=O ZINC000095666115 JH Annotated Anodyne COCc1cn([C@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3ccc(OC)cc3)cc2)nn1 ZINC000095666120 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095666138 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095666141 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666147 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666149 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@@H]2N1C(C)=O ZINC000095666171 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095666190 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(CC2CCCC2)CC1 ZINC000095666195 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(CC2CCCC2)CC1 ZINC000095666198 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095666224 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095666227 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666237 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666239 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(CC2CCCCC2)C1 ZINC000095666242 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095666353 JH Annotated Mild CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095666438 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095666453 JH Annotated Mild O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095666543 JH Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CCCCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666572 JH Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CCCCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095666575 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095666588 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095666590 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666651 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666695 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666697 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095666766 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3C)cc1 ZINC000095666771 JH Annotated Anodyne CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@H]2n2cc(C(C)(C)O)nn2)cc1 ZINC000095668805 JH Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1Cc1ccccc1 ZINC000095668806 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095668844 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095675334 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675335 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095675336 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675337 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095675338 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095675339 JH Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095675340 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675763 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675764 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675765 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675766 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675767 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675768 JH Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095677339 JH Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095677340 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095677341 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095677342 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095677367 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095677368 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095677369 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095677370 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095677371 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095677372 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095677373 JH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095677374 JH Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095678608 JH Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095678609 JH Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095678610 JH Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095678611 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679200 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679289 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679291 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679293 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679295 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679297 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679298 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679300 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679301 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095679378 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095679379 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095679381 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095679382 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095679383 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679475 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679476 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679477 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679478 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679479 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679480 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679481 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095679496 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095679497 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095679498 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095679499 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095679500 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095679501 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679738 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679739 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679740 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679741 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679744 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679745 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679746 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679747 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679748 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679749 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679750 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679751 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679752 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679753 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095679754 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095679755 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095679756 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679757 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679758 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679759 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679761 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679762 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]1C ZINC000095679799 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]1C ZINC000095679800 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]1C ZINC000095679801 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]1C ZINC000095679802 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]1C ZINC000095679803 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H]1C ZINC000095679804 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H]1C ZINC000095679805 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095679846 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095679848 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095679849 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095679850 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680323 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680324 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680325 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680326 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680327 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680329 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095680437 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095680439 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095680440 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095680442 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095680445 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095680447 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095680449 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095680450 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680527 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680528 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680531 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680533 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680535 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680536 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680538 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680540 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095680560 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680562 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680564 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680567 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095680569 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095680571 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095680572 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095680575 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680691 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680692 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680693 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680694 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680695 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680696 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680697 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680829 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680830 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680831 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680832 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680833 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680834 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095680835 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095680836 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680902 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680903 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680904 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680905 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680906 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680907 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095680931 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095680932 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095680933 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095680934 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095680935 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095680936 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095680937 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095680938 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680984 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680985 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680986 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680987 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680988 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680989 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680990 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680991 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095686917 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095686918 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095686919 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095686920 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095686921 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095686922 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095686923 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095686924 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095686967 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095686968 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095686969 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095686970 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095686971 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095686972 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095686973 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095686974 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095687045 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095687046 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095687047 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095687048 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095687049 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095687050 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095687239 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095687240 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095687241 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095687242 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095687243 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095687244 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095687245 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095687246 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccccc1F)[C@@H](C)CO2 ZINC000095687269 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccc1F)[C@H](C)CO2 ZINC000095687270 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccc1F)[C@@H](C)CO2 ZINC000095687271 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccc1F)[C@H](C)CO2 ZINC000095687272 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccc1F)[C@H](C)CO2 ZINC000095687273 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccc1F)[C@@H](C)CO2 ZINC000095687274 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccc1F)[C@@H](C)CO2 ZINC000095687275 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687278 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687279 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687280 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687281 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687282 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687283 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687284 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687352 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687353 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687354 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687355 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687356 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687357 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687358 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687359 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687360 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687361 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687362 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687363 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]1C ZINC000095687364 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]1C ZINC000095687365 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095687422 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095687423 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095687424 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095687425 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095687426 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095687427 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095687428 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095687429 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687430 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687431 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687432 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687433 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687434 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687435 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687436 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687437 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)NC[C@H]1C ZINC000095687468 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095687469 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095687470 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)NC[C@H]1C ZINC000095687471 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)NC[C@@H]1C ZINC000095687472 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687473 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687474 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687498 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095687499 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687500 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095687501 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095687502 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687503 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687504 JH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H]1C ZINC000095687505 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccc(F)cc1)[C@@H](C)CO2 ZINC000095687518 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccc(F)cc1)[C@H](C)CO2 ZINC000095687519 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccc(F)cc1)[C@@H](C)CO2 ZINC000095687520 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccc(F)cc1)[C@H](C)CO2 ZINC000095687521 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccc(F)cc1)[C@@H](C)CO2 ZINC000095687522 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccc(F)cc1)[C@H](C)CO2 ZINC000095687523 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccc(F)cc1)[C@@H](C)CO2 ZINC000095687524 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095687617 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095687618 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095687619 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095687620 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095687621 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095687622 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095687623 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095687624 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095687757 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095687758 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095687759 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095687760 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095687761 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095687762 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095687763 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095687764 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687821 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687822 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687823 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687824 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687825 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687826 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687827 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687885 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095687886 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687887 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095687888 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687889 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095687890 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095687932 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095687933 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095687934 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095687935 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095687936 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095687937 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095687938 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095687939 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095687940 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095687941 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095687942 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687943 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687944 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687945 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687946 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687947 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095687948 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687949 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687987 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687988 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687989 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687990 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687991 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688217 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688218 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688219 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688220 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688221 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688222 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688223 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688318 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688319 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688320 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688321 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688322 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688323 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095688426 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095688427 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095688428 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095688429 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095688430 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095688431 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688439 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688440 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688441 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688442 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688443 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688444 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688445 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688446 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095688488 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688489 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095688490 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095688491 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688492 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688517 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688518 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688519 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688520 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688521 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688522 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688523 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688524 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688557 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688558 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688559 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688560 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688561 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688562 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H]1C ZINC000095688570 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H]1C ZINC000095688571 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H]1C ZINC000095688572 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H]1C ZINC000095688573 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H]1C ZINC000095688574 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H]1C ZINC000095688575 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H]1C ZINC000095688576 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095688729 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095688730 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095688731 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095688732 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095688733 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095688734 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H]1C ZINC000095688735 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095688952 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095688953 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095688954 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095688955 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095688956 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095688957 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095688958 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689015 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689017 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689020 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689021 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689024 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095689025 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689027 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C ZINC000095689029 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095689185 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095689187 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095689189 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095689191 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095689193 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095689195 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000095689197 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000095689199 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095689201 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095689203 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095689205 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095689207 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095689209 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095689210 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095689213 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095689215 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095689397 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095689399 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095689401 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095689403 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095689405 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095689408 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095689409 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095689412 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095689413 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095689415 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095689417 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095689419 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCCC1)[C@H](C)CO2 ZINC000095689421 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095689423 JH Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCCC1)[C@@H](C)CO2 ZINC000095689425 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689578 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689580 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689582 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689584 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689586 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689588 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689602 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689604 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689606 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689608 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689610 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689612 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689614 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689616 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689666 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689668 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689670 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689672 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689674 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689676 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689678 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)NC[C@H]1C ZINC000095689878 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095689880 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)NC[C@@H]1C ZINC000095689882 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095689884 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)NC[C@H]1C ZINC000095689886 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)NC[C@@H]1C ZINC000095689888 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)NC[C@H]1C ZINC000095689890 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095690094 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095690095 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095690098 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095690100 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690123 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690125 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690127 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690130 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690132 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690134 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690136 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690138 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095690436 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095690438 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095690440 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095690442 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095690444 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095690446 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690448 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690450 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690452 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690455 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690456 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690459 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690460 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095690614 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095690616 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095690618 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095690620 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095690622 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095690624 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095690626 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095690712 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095690714 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095690717 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095690719 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095690721 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095690722 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095690725 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095690808 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095690824 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095690837 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690861 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690873 JH Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO3)c1 ZINC000095690883 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095690895 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690897 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095690937 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095690967 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095690988 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095691001 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095691016 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095691024 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691036 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095691043 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095691053 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095691065 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095691067 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691074 JH Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@H](C)CO3)c1 ZINC000095691112 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095691152 JH Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO3)c1 ZINC000095691156 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691166 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095691172 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095691177 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095691185 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095691198 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691205 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691219 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691225 JH Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO3)c1 ZINC000095691243 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095691265 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095691269 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691327 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691340 JH Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO3)c1 ZINC000095691355 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095691360 JH Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@H](C)CO3)c1 ZINC000095691364 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691380 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095691457 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095691474 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095691619 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095691672 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095691753 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095691788 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095691794 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095691800 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095691830 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095691838 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095691889 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095691905 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccc(F)c2)C[C@H]1C ZINC000095692004 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692042 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095692053 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095692103 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095692116 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccc(F)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692162 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095692164 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095692174 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095692204 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095692227 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095692231 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095692237 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692255 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095692288 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095692313 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095692323 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccc(F)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095692336 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccc(F)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095692342 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692381 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095692393 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095692397 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095692401 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692440 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692442 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095692456 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095692465 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692469 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095692473 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692482 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095692484 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095692498 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095692500 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095692514 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095692554 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095692568 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095692576 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095692586 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095692591 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccc(F)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692593 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095692597 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095692605 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095692607 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095692612 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095692614 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095692623 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095692646 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccc(F)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692650 JH Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095692663 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095692675 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095692681 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095692687 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095692708 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095692726 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095692728 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(Cc2cocn2)C[C@H]1C ZINC000095692766 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095692777 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692789 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095692811 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095692815 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095692820 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095692835 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095692860 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095692871 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692929 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095692933 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095692940 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095692949 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095693060 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693169 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095693226 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095693229 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095693267 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693269 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095693291 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693303 JH Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095693329 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095693398 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095693410 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccnc3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095693537 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095693541 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095693601 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095693715 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095693740 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095693821 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095693868 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693873 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095693884 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)NC[C@H]1C ZINC000095693886 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693903 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693913 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095693931 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@H](C)NC[C@H]1C ZINC000095693954 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693962 JH Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699180 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699181 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699182 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699183 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699184 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699185 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699186 JH Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699187 JH Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699512 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699513 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095699629 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095699630 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095699631 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095699632 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095699633 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095699634 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095699635 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095699636 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095699708 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095699709 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095699710 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095699711 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095699712 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095699713 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095699714 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095699715 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095700006 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095700007 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095700008 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095700009 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095700010 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095700011 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095700012 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095700013 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700391 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700392 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700393 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700394 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700395 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700396 JH Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700775 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700776 JH Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095701213 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095701214 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701215 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095701216 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095701217 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095701218 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701219 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095701220 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701389 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095701390 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701391 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701392 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701393 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702128 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702129 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702130 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702131 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702132 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702133 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702134 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702135 JH Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095702281 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095702282 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095702283 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095702284 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095702285 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095702286 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095702287 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095702288 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095702384 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095702385 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095702386 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095702387 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095702388 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095702389 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095702390 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095702391 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095708686 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095708687 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccccc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095708688 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095708689 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095708690 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095708691 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095708692 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095708693 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709362 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709363 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709364 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095709376 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095709377 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095709378 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095709379 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095709380 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095709381 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095710399 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095710401 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095710402 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095710404 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095710406 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095710408 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095710410 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711818 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711821 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccc(F)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711822 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711824 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccc(F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711826 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711827 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(F)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711829 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711831 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095712318 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095712321 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095712325 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095712327 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095712331 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095712333 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095712606 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095712610 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095712613 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095712617 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095712619 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095712623 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095712626 JH Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095712784 JH Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095712787 JH Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095712790 JH Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095712794 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714503 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714505 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714507 JH Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714520 JH Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714522 JH Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714524 JH Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714526 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716081 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716083 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716085 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095716088 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716090 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095716092 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095716343 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095716346 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095716348 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095716350 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095716352 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095716354 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095716648 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095716650 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095716652 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095716654 JH Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716705 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716707 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716709 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716711 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716713 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716715 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716718 JH Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716720 JH Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCC3CCCC3)cnc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095726408 JH Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCC3CCCC3)cnc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095726410 JH Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCOCC2)Oc2ncc(C#CCC3CCCC3)cc2C1=O ZINC000095726412 JH Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCC3CCCC3)cnc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095726414 JH Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095727776 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095727781 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095727784 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095727787 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095727790 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095727793 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095727796 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095727799 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727984 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1F)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727988 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1F)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727991 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1F)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727994 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1F)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727997 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1F)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095728000 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1F)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095728003 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095729496 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095729499 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095729502 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095729505 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095729508 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095729511 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095729514 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095729517 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)CC1CC1 ZINC000095730013 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095730017 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095730020 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)CC1CC1 ZINC000095730024 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccc(F)c1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730188 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730191 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730194 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccc(F)c1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730197 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccc(F)c1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730200 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730203 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730206 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccc(F)c1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730210 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730244 JH Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730262 JH Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730373 JH Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730390 JH Annotated Mild C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730392 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095730397 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730415 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730537 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730725 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730737 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730740 JH Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730764 JH Annotated Mild C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730860 JH Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730892 JH Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730912 JH Annotated Mild C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095731029 JH Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095731060 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731165 JH Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095731221 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732193 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732200 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732229 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732295 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732359 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732444 JH Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732547 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732617 JH Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732633 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732640 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732647 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732697 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732837 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732867 JH Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095734667 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095734689 JH Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095734716 JH Annotated Mild CCCN(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095734722 JH Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095734807 JH Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095734912 JH Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095734973 JH Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095734994 JH Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095735045 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095735301 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095735336 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095735351 JH Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095735459 JH Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095735501 JH Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095735521 JH Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095735544 JH Annotated Anodyne COc1ccc(N(C(=O)CO)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000095771690 JH Annotated Anodyne COc1ccc(N(C(=O)CO)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000095771691 JH Annotated Anodyne O=C(Nc1ccccc1)NC1(c2cn(CC(=O)N3CCN(c4ccccc4)CC3)nn2)CCCCC1 ZINC000095783731 JH Annotated Anodyne O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000095783817 JH Annotated Anodyne O=C(C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCC1 ZINC000095784138 JH Annotated Anodyne O=C(C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCC1 ZINC000095784143 JH Annotated Anodyne COc1cc2c(cc1OC)-c1onc(-c3ccc(OCCO)cc3)c1CCCN(C[C@H](C)O)CC2 ZINC000095784818 JH Annotated Anodyne COc1cc2c(cc1OC)-c1onc(-c3ccc(OCCO)cc3)c1CCCN(C[C@@H](C)O)CC2 ZINC000095784820 JH Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095793475 JH Annotated Anodyne CC(C)c1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(C#CC3(O)CCCC3)cc2)nn1 ZINC000095793488 JH Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095793527 JH Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095793554 JH Annotated Mild O=C(N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1)c1ccccn1 ZINC000095793562 JH Annotated Mild O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095793567 JH Annotated Mild CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@@H]2n2cc(C(C)(C)O)nn2)cc1 ZINC000095793578 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3C)cc1 ZINC000095793586 JH Annotated Anodyne O=C(N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1)c1ccccn1 ZINC000095793590 JH Annotated Mild CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccncc4)c3)n1)[C@H](CCO)N(S(=O)(=O)CC)C2 ZINC000095793591 JH Annotated Anodyne CCC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CCc2ccccc2)cc1 ZINC000095793598 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C(C)=O)CC1 ZINC000095793675 JH Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793678 JH Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793679 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(CC2CCOCC2)C1 ZINC000095793732 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(CC2CCOCC2)C1 ZINC000095793733 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CN(Cc2nccs2)C1 ZINC000095793768 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CN(Cc2nccs2)C1 ZINC000095793769 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095793772 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793781 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793782 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095793790 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095793801 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(C)CC1 ZINC000095793836 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095793851 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2nccs2)CC1 ZINC000095793854 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2nccs2)CC1 ZINC000095793855 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793881 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095793882 JH Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1)[C@@H](CO)N2 ZINC000095793938 JH Annotated Mild CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095794046 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095794049 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@H]1C ZINC000095794064 JH Annotated Anodyne CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000095794121 JH Annotated Mild CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095794271 JH Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccc(F)cc1)[C@@H](CO)N2 ZINC000095794366 JH Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H](CO)N3)c1 ZINC000095794556 JH Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)c1 ZINC000095794640 JH Annotated Mild CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095794682 JH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H](CO)N3)c1 ZINC000095794706 JH Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095794713 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095794729 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095794860 JH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095794901 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095794912 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095794913 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794914 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095794915 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095794916 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095794917 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095794918 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CCC5CCCC5)cc4)[C@H]3C2)c1 ZINC000095794919 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C#CCC4CCCC4)cc2)[C@@H]3CO)c1 ZINC000095794920 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@H]3C2)c1 ZINC000095794921 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C#CCC4CCCC4)cc2)[C@@H]3CO)c1 ZINC000095794922 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794956 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794957 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794959 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095794960 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095795062 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095795064 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095795066 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095795068 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095795069 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095795070 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095795071 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095795072 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795334 JH Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795350 JH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795372 JH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795375 JH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795377 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795391 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795392 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795393 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795394 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795395 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795396 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795397 JH Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095795407 JH Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795408 JH Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795409 JH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795419 JH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095795421 JH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795423 JH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795425 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095795503 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795610 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795611 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795612 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795613 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795614 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795615 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095795623 JH Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095795624 JH Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095795625 JH Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C#CCC4CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095795626 JH Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CCC5CCCC5)cc4)[C@H]3C2)cc1 ZINC000095795627 JH Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@H]3C2)cc1 ZINC000095795628 JH Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095795629 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795637 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795638 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C#CCC4CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095795645 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795794 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795795 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795797 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795799 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795800 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795863 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795864 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795865 JH Annotated Mild CCCNC(=O)N1CC2(CCN(Cc3ccncc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095795925 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(C)=O)CC1 ZINC000095795947 JH Annotated Anodyne CC(C)c1cn([C@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(C#CC3(O)CCCC3)cc2)nn1 ZINC000095795949 JH Annotated Mild CCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095795950 JH Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(C)c1)[C@H](CO)N2 ZINC000095795951 JH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(C)=O)CC1 ZINC000095795956 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095795962 JH Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1cccc(F)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095795965 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(C)=O)CC1 ZINC000095795966 JH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H]1C ZINC000095795971 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095795986 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095795991 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095795996 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(CC2CCCCC2)CC1 ZINC000095796004 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(CC2CCCCC2)CC1 ZINC000095796005 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095796027 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(Cc2nccs2)CC1 ZINC000095796038 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095796050 JH Annotated Anodyne COc1cccc(CN2CC3(CCN(C(C)=O)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095796065 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3C)cc1 ZINC000095796082 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)C3CCC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796097 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)C3CCC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796099 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3C)cc1 ZINC000095796120 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095796162 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1Cc1ccccc1 ZINC000095796173 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095796183 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095796203 JH Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1cccc(F)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796221 JH Annotated Anodyne COc1cccc(CN2CC3(CN(CC4CCOCC4)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095796231 JH Annotated Anodyne CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@H]2n2cc(C(C)(C)O)nn2)cc1 ZINC000095796232 JH Annotated Mild CCCC(=O)N1CC2(C1)CN(C(=O)Nc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796236 JH Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)Nc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796237 JH Annotated Anodyne COc1cccc(CN2CC3(CN(CC4CCOCC4)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095796269 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095796274 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095796275 JH Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H]1C ZINC000095796329 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095796387 JH Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095796415 JH Annotated Mild CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095796417 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095796435 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095796456 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)C2CC2)C1 ZINC000095796478 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)C2CC2)C1 ZINC000095796479 JH Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095796497 JH Annotated Mild O=C(NCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095796507 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095796551 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CC2)C1 ZINC000095796576 JH Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3cccc(F)c3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095796579 JH Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3cccc(F)c3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095796580 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095796628 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CCC2)C1 ZINC000095796635 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CC2)C1 ZINC000095796653 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC1CCCCC1)CC31CCN(C)CC1 ZINC000095796682 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCCC1)CC31CCN(C)CC1 ZINC000095796683 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(Cc2ccccc2)C1 ZINC000095796685 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CN(Cc2ccccc2)C1 ZINC000095796687 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(CC2CC2)CC1 ZINC000095796692 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(CC2CC2)CC1 ZINC000095796693 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CCC2)C1 ZINC000095796697 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095796703 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2ccccc2OC)CC1 ZINC000095796726 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2ccccc2OC)CC1 ZINC000095796727 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095796733 JH Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccncc4)c3)n1)[C@@H](CCO)N(S(=O)(=O)CC)C2 ZINC000095796742 JH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(S(=O)(=O)Cc3ccccc3)C23CN(C(=O)C2CCCC2)C3)cc1 ZINC000095796749 JH Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796759 JH Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796760 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095796767 JH Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCCCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796780 JH Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCCCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796781 JH Annotated Anodyne CCC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccc(OC)c2)cc1 ZINC000095796819 JH Annotated Anodyne CCC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccc(OC)c2)cc1 ZINC000095796921 JH Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCCC5)cc4)[C@H]3C2)c1 ZINC000095796977 JH Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C4=CCCCC4)cc2)[C@@H]3CO)c1 ZINC000095796978 JH Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095796979 JH Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095796980 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1 ZINC000095797240 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095797272 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095797273 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095797274 JH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797384 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797385 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797386 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797387 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797388 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797389 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797411 JH Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797412 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797530 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797531 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797603 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797604 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797605 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797606 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797607 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797608 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095797727 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095797728 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095797729 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797731 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797733 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095797734 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095797915 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797916 JH Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797952 JH Annotated Mild O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095797953 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095797983 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095797989 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095798029 JH Annotated Mild O=C1[C@@H]2[C@@H](CC(COc3ccccc3)=C([C@H](O)c3ccccc3)[C@@H]2CO)C(=O)N1Cc1ccccc1 ZINC000095798300 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095798508 JH Annotated Anodyne CCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)[C@@H](CC)c1ccccc1 ZINC000095798584 JH Annotated Mild CCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)[C@H](CC)c1ccccc1 ZINC000095798585 JH Annotated Mild CCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)[C@@H](CC)c1ccccc1 ZINC000095798586 JH Annotated Mild CCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)[C@H](CC)c1ccccc1 ZINC000095798587 JH Annotated Mild COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000095808681 JH Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O ZINC000095808703 JH Annotated Reactive O=C(O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O ZINC000095808747 JH Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O ZINC000095808896 JH Annotated Reactive COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000095809367 JH Annotated Reactive CNC[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095836684 JH Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095846599 JH Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095847467 JH Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095847956 JH Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095848532 JH Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095848589 JH Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095849160 JH Annotated Anodyne CCC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccc(OC)c2)cc1 ZINC000095864555 JH Annotated Anodyne CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@@H]2n2cc(C(C)(C)O)nn2)cc1 ZINC000095864570 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCCC1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095864573 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCCC1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095864574 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(C)=O)CC1 ZINC000095864576 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(C)=O)CC1 ZINC000095864577 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095864585 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095864587 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095864589 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095864590 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095864592 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095864612 JH Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N3CCN(C)CC3)cc3c2[C@H](CCO)N(C(=O)NC(C)C)C3)c1 ZINC000095864626 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095864692 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cc(F)ccc3F)CC[C@@H]21 ZINC000095864725 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CCN(Cc2cccnc2)CC1 ZINC000095864731 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CCN(Cc2cccnc2)CC1 ZINC000095864734 JH Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cccc(C)c1)[C@H](CO)N2 ZINC000095864780 JH Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095864793 JH Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)N2 ZINC000095864797 JH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C(C)=O)CC1 ZINC000095864800 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095864822 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095864830 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095864833 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(F)c3)O[C@@H]1CO2 ZINC000095864852 JH Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095864854 JH Annotated Mild CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095864862 JH Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]1C ZINC000095864897 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccc(F)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095864909 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095864922 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095864924 JH Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095864926 JH Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095864927 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095864930 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(Cc2cncnc2)CC1 ZINC000095864962 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(Cc2cncnc2)CC1 ZINC000095864964 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095864975 JH Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)Nc3c(C)noc3C)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865001 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000095865049 JH Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)Nc3c(C)noc3C)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865058 JH Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1ccccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865065 JH Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1ccccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865066 JH Annotated Anodyne COc1ccc(CN2CC3(CN(C(=O)C4CCC4)C3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc1 ZINC000095865077 JH Annotated Anodyne COc1ccc(CN2CC3(CN(C(=O)C4CCC4)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095865078 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095865079 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095865104 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095865105 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(C)=O)CC1 ZINC000095865138 JH Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H]1C ZINC000095865146 JH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]1C ZINC000095865148 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1Cc1ccccc1 ZINC000095865155 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccc(F)c2)C[C@@H]1C ZINC000095865167 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095865168 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095865175 JH Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(C)c1)[C@@H](CO)N2 ZINC000095865176 JH Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095865234 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865240 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095865247 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095865249 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095865253 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865256 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865258 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)C2CCCCC2)C[C@@H]1C ZINC000095865261 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095865267 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095865274 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2F)C[C@@H]1C ZINC000095865275 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095865278 JH Annotated Anodyne COc1cc(CN2CC3(CCN(C(C)=O)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095865304 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1Cc1ccccc1 ZINC000095865317 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095865324 JH Annotated Mild CCCC(=O)N1CC2(CN(C(=O)Nc3cccc(F)c3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865356 JH Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)Nc3cccc(F)c3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865357 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(Cc2cccnc2)C1 ZINC000095865374 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(Cc2cccnc2)C1 ZINC000095865375 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CN(CC2CC2)C1 ZINC000095865387 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(CC2CC2)C1 ZINC000095865388 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095865416 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095865417 JH Annotated Anodyne COc1ccc(NC(=O)N2CCC3(CC2)CN(C(C)=O)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1 ZINC000095865425 JH Annotated Anodyne COc1ccc(NC(=O)N2CCC3(CC2)CN(C(C)=O)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1 ZINC000095865426 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095865446 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095865447 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095865479 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095865480 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095865496 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095865498 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095865676 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095865677 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3ccccn3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865730 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3ccccn3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865733 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(C)=O)CC1 ZINC000095865766 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865772 JH Annotated Anodyne CCCNC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865774 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCCC1)CC31CCN(C(C)=O)CC1 ZINC000095865797 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCCC1)CC31CCN(C(C)=O)CC1 ZINC000095865798 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(Cc2cccnc2)C1 ZINC000095865900 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(Cc2cccnc2)C1 ZINC000095865901 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(C)=O)CC1 ZINC000095865911 JH Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865927 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095865941 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095865942 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865969 JH Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccc(Cl)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865970 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095865986 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095865987 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095865988 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095865989 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095865990 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095865991 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095865992 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866055 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866071 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095866072 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095866077 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095866078 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095866079 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095866091 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095866092 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866094 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095866144 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095866145 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866200 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866201 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866202 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866203 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866204 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866205 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866206 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866207 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866208 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866209 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866229 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866230 JH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866236 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866237 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866273 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866274 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095866335 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095866336 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095866337 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866404 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866405 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866406 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866407 JH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095866453 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095866454 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095866455 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095866494 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095866495 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095866496 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095866497 JH Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095866498 JH Annotated Mild CCC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2cccc(OC)c2)cc1 ZINC000095866598 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095867405 JH Annotated Anodyne COc1cccc(CN2CC3(CN(Cc4ccccn4)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095867418 JH Annotated Anodyne COc1cccc(CN2CC3(CN(Cc4ccccn4)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095867419 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095867420 JH Annotated Anodyne CCS(=O)(=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095867421 JH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095867422 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095867443 JH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCC2)C1 ZINC000095867461 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095867470 JH Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1ccccc1Cl)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867490 JH Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1ccccc1Cl)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867491 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(C)=O)CC1 ZINC000095867567 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(C)=O)CC1 ZINC000095867568 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095867571 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)NC2CCCC2)CC1 ZINC000095867572 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095867591 JH Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1ccc(F)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867605 JH Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1ccc(F)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867606 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCCCC1)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095867626 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095867646 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095867696 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095867697 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(CC2CCOCC2)CC1 ZINC000095867723 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(CC2CCOCC2)CC1 ZINC000095867724 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095867745 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095867746 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(Cc2ccc(F)cc2)C1 ZINC000095867749 JH Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1ccccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867800 JH Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(Cc1ccccn1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867801 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(Cc2nccs2)CC1 ZINC000095867827 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000095867858 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000095867859 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095867881 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095867882 JH Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095868023 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2OC[C@H](C)NC[C@@H]1C ZINC000095868041 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095868048 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095868054 JH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C ZINC000095868058 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868067 JH Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095868077 JH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(C)cc2)[C@H](CO)N3)c1 ZINC000095868093 JH Annotated Mild CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095868097 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095868117 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095868143 JH Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)c1ccccc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868160 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095868181 JH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)c1 ZINC000095868197 JH Annotated Mild Cc1ccccc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095868202 JH Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3F)ccc1N[C@H]2CO ZINC000095868213 JH Annotated Mild O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095868228 JH Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@@H](CCO)N(S(C)(=O)=O)C2 ZINC000095868236 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095868248 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095868252 JH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095868264 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095868288 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868307 JH Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095868325 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H]1C ZINC000095868352 JH Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H]1C ZINC000095868355 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868385 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868392 JH Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868393 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C)CC1 ZINC000095868396 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C)CC1 ZINC000095868397 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868424 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868425 JH Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3ccc(F)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868460 JH Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3ccc(F)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868461 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCC2)C1 ZINC000095868462 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCC2)C1 ZINC000095868463 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868510 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868511 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccccc2)C1 ZINC000095868521 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccccc2)C1 ZINC000095868522 JH Annotated Anodyne COc1ccc(NC(=O)N2CC3(C2)CN(CC2CC2)[C@@H](CO)c2c3c3ccc(OC)cc3n2C)cc1 ZINC000095868556 JH Annotated Anodyne COc1ccc(NC(=O)N2CC3(C2)CN(CC2CC2)[C@H](CO)c2c3c3ccc(OC)cc3n2C)cc1 ZINC000095868557 JH Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868603 JH Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868628 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868629 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868630 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1cccnc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868649 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1cccnc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868650 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C(=O)C2CC2)C1 ZINC000095868652 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C(=O)C2CC2)C1 ZINC000095868653 JH Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccccc3Cl)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868661 JH Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccccc3Cl)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868662 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1ccncc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868668 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1ccncc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868669 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2cccnc2)CC1 ZINC000095868685 JH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2cccnc2)CC1 ZINC000095868686 JH Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3ccccc3Cl)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868700 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868717 JH Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3ccccc3Cl)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868743 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1nccs1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868756 JH Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1nccs1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868757 JH Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)c1ccccc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868822 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2ccncc2)CC1 ZINC000095868824 JH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2ccncc2)CC1 ZINC000095868825 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868830 JH Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)NC1CCCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868863 JH Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)NC1CCCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868864 JH Annotated Anodyne CCCC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868899 JH Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868907 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095868952 JH Annotated Anodyne COCc1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3ccc(OC)cc3)cc2)nn1 ZINC000095868968 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095868982 JH Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095869002 JH Annotated Mild O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095869025 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095869048 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095869083 JH Annotated Anodyne COCc1cn([C@@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3ccc(OC)cc3)cc2)nn1 ZINC000095869139 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095869143 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095869510 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095869511 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095869552 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095869553 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095869579 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095869580 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095869581 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095869584 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095869585 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095869586 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095869587 JH Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095869588 JH Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095871351 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095871352 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871353 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095871354 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871355 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095871356 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871377 JH Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095871378 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C#CC4CCCCC4)cc2)[C@@H]3CO)c1 ZINC000095871446 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CC5CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095871447 JH Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095871476 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095871477 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095871478 JH Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C#CC5CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095871479 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C#CC5CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095871480 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CC5CCCCC5)cc4)[C@H]3C2)c1 ZINC000095871481 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C#CC4CCCCC4)cc2)[C@@H]3CO)c1 ZINC000095871482 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CC5CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095871483 JH Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CC5CCCCC5)cc4)[C@H]3C2)c1 ZINC000095871484 JH Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095871586 JH Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095871587 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5ccc(C)cc5)cc4)[C@@H]3C2)cc1 ZINC000095871593 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(-c4ccc(C)cc4)cc2)[C@@H]3CO)cc1 ZINC000095871594 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccc(C)cc5)cc4)[C@@H]3C2)cc1 ZINC000095871595 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5ccc(C)cc5)cc4)[C@@H]3C2)cc1 ZINC000095871596 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(-c5ccc(C)cc5)cc4)[C@@H]3C2)cc1 ZINC000095871597 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccc(C)cc5)cc4)[C@H]3C2)cc1 ZINC000095871598 JH Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(-c4ccc(C)cc4)cc2)[C@@H]3CO)cc1 ZINC000095871599 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095872145 JH Annotated Anodyne CC(C)N1CC2(CN(Cc3ccccc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872165 JH Annotated Anodyne CC(C)N1CC2(CN(CCc3ccccc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872167 JH Annotated Anodyne CC(C)N1CC2(CN(Cc3ccccc3F)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872171 JH Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2c1O ZINC000095872258 JH Annotated Clean Cc1ccc(S(=O)(=O)NC2=C/C(=N\[C@@H](C)C(=O)OC(C)(C)C)C(=O)c3ccccc32)c(C)c1 ZINC000095872294 JH Annotated Mild CC(C)N1CC2(CN(C(=O)OC(C)(C)C)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872315 JH Annotated Anodyne CC(C)N1C[C@H](CN2Cc3ccccc3C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872321 JH Annotated Anodyne CC(C)N1CC2(CN(Cc3ccc(F)cc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872325 JH Annotated Anodyne CC(C)N1CC2(CN(Cc3cccc(F)c3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872330 JH Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)CC2CCOCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872355 JH Annotated Anodyne CC(C)N1CC[C@@H](CNC(=O)OC(C)(C)C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872362 JH Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872581 JH Annotated Mild CCOC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872582 JH Annotated Mild CCOC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095872640 JH Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095872678 JH Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872913 JH Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095873112 JH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095873163 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873164 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@H]34)cc2)c1 ZINC000095873165 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095873166 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095873167 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@H]34)cc2)c1 ZINC000095873168 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873169 JH Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095873190 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873191 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095873192 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095873193 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095873194 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873195 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873196 JH Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873197 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095873244 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873245 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095873246 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095873247 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095873248 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873249 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095873250 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095873263 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873264 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095873265 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873266 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@H]34)cc2)cc1 ZINC000095873267 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@H]34)cc2)cc1 ZINC000095873268 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095873269 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095873270 JH Annotated Anodyne O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873295 JH Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873296 JH Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873297 JH Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873298 JH Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873299 JH Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873300 JH Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873301 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095873396 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)c1 ZINC000095873426 JH Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873427 JH Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)c1 ZINC000095873428 JH Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)c1 ZINC000095873429 JH Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873430 JH Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873431 JH Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873432 JH Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095873462 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873463 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095873464 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095873465 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095873466 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873467 JH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095873484 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095873485 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095873486 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095873487 JH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095873494 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095873495 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873496 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@H]34)cc2)c1 ZINC000095873497 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095873498 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873499 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095873500 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873582 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873583 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095873584 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873585 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873586 JH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873730 JH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873731 JH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873732 JH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873733 JH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)c1 ZINC000095873734 JH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873735 JH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)c1 ZINC000095873736 JH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873737 JH Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873796 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873797 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873798 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)c1 ZINC000095873799 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873800 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873801 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)c1 ZINC000095873802 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095873803 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873811 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873812 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873813 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873814 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873815 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873816 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873817 JH Annotated Mild O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095873833 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873834 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873835 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095873836 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095873837 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095873838 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873839 JH Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873840 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873865 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095873866 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095873867 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095873868 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873869 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873870 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873871 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095873872 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874046 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874047 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874048 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccccc4)cc2)[C@@H]3CO)c1 ZINC000095874049 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4ccccc4)cc2)[C@@H]3CO)c1 ZINC000095874050 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@H]3C2)c1 ZINC000095874051 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@H]3C2)c1 ZINC000095874052 JH Annotated Anodyne COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874053 JH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095874054 JH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095874055 JH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095874056 JH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095874057 JH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095874058 JH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095874059 JH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095874060 JH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095874061 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874078 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874079 JH Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@H]23)cc1 ZINC000095874184 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874185 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)CCCCN3[C@H]2CO)cc1 ZINC000095874186 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874187 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@H]23)cc1 ZINC000095874188 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874189 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874190 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)CCCCN3[C@H]2CO)cc1 ZINC000095874191 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@H]3C2)cc1 ZINC000095874192 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095874193 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CCC(C)C)cc2)[C@@H]3CO)cc1 ZINC000095874194 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@H]3C2)cc1 ZINC000095874195 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095874196 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095874197 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095874198 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CCC(C)C)cc2)[C@@H]3CO)cc1 ZINC000095874199 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095874234 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874235 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095874236 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874237 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874238 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095874239 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874240 JH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095874241 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095874242 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095874243 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CCCCN3[C@H]2CO)cc1 ZINC000095874244 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095874245 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095874246 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CCCCN3[C@H]2CO)cc1 ZINC000095874247 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)C[C@H]23)cc1 ZINC000095874248 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874265 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874266 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095874267 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095874268 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874269 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874270 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095874271 JH Annotated Mild O=C(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095874272 JH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095874346 JH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095874347 JH Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3ccccc3F)CCCCN21 ZINC000095874348 JH Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3ccccc3F)CCCCN12 ZINC000095874349 JH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874561 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095874562 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095874563 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095874564 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@H]34)cc2)c1 ZINC000095874565 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CCC5)C[C@H]34)cc2)c1 ZINC000095874566 JH Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874643 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095874644 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095874645 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095874646 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095874647 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095874697 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095874698 JH Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4F)C[C@H]23)cc1 ZINC000095874737 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095874738 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4F)C[C@@H]23)cc1 ZINC000095874739 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4F)C[C@@H]23)cc1 ZINC000095874740 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4F)C[C@H]23)cc1 ZINC000095874741 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4F)C[C@@H]23)cc1 ZINC000095874742 JH Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095874811 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095874812 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095874813 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095874814 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 ZINC000095874815 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 ZINC000095874816 JH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095874817 JH Annotated Anodyne COc1ccc(C#Cc2ccc([C@H]3[C@H]4CN(Cc5ccncc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874899 JH Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095874900 JH Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095874901 JH Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095874902 JH Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@H]4CN(Cc5ccncc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874903 JH Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)cc1 ZINC000095874904 JH Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)cc1 ZINC000095874905 JH Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095874906 JH Annotated Mild COc1cccc(CN2CCCCN3[C@H](CO)[C@@H](c4ccc(C#Cc5cccnc5)cc4)[C@@H]3C2)c1 ZINC000095874963 JH Annotated Mild COc1cccc(CN2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#Cc5cccnc5)cc4)[C@@H]3C2)c1 ZINC000095874964 JH Annotated Mild COc1cccc(CN2CCCCN3[C@H](C2)[C@@H](c2ccc(C#Cc4cccnc4)cc2)[C@@H]3CO)c1 ZINC000095874965 JH Annotated Mild COc1cccc(CN2CCCCN3[C@@H](CO)[C@H](c4ccc(C#Cc5cccnc5)cc4)[C@@H]3C2)c1 ZINC000095874966 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095875114 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095875115 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875116 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095875117 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875118 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875119 JH Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875120 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@H]34)cc2)c1 ZINC000095875222 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5cccnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875223 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095875224 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095875225 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@H]34)cc2)c1 ZINC000095875226 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095875227 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5cccnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875228 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095875229 JH Annotated Mild O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875440 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875441 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875442 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875443 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875444 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875445 JH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875446 JH Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095875551 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095875552 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095875553 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095875554 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095875555 JH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095875556 JH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095875557 JH Annotated Mild O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095875647 JH Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095875648 JH Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095875649 JH Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095875650 JH Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095875651 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccncc5)cc4)[C@@H]3C2)c1 ZINC000095875667 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccncc5)cc4)[C@@H]3C2)c1 ZINC000095875668 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccncc5)cc4)[C@@H]3C2)c1 ZINC000095875669 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccncc4)cc2)[C@@H]3CO)c1 ZINC000095875670 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccncc5)cc4)[C@H]3C2)c1 ZINC000095875671 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@H]34)cc2)cc1 ZINC000095875682 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)cc1 ZINC000095875683 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@H]34)cc2)cc1 ZINC000095875684 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095875694 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095875695 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875696 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875697 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875698 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095875699 JH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095875700 JH Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095875710 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095875711 JH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095875712 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095875713 JH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095875714 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#Cc5ccccn5)cc4)[C@@H]3C2)cc1 ZINC000095875715 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#Cc5ccccn5)cc4)[C@@H]3C2)cc1 ZINC000095875716 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#Cc5ccccn5)cc4)[C@H]3C2)cc1 ZINC000095875717 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#Cc4ccccn4)cc2)[C@@H]3CO)cc1 ZINC000095875718 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#Cc4ccccn4)cc2)[C@@H]3CO)cc1 ZINC000095875719 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#Cc5ccccn5)cc4)[C@@H]3C2)cc1 ZINC000095875720 JH Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#Cc5ccccn5)cc4)[C@@H]3C2)cc1 ZINC000095875721 JH Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875752 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875753 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875754 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875755 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875756 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875757 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875758 JH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875759 JH Annotated Anodyne N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095875787 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5)C[C@H]34)cc2)c1 ZINC000095875788 JH Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095875789 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095875790 JH Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875791 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095876997 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095876998 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095876999 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095877000 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095877001 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095877002 JH Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095877003 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095877078 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095877079 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095877080 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095877081 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095877082 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095877083 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095877084 JH Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095877085 JH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095877094 JH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095877095 JH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095877096 JH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095877097 JH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)cc1 ZINC000095877098 JH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)cc1 ZINC000095877099 JH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095877100 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(CC5CCOCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095877146 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)c1 ZINC000095877147 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095877148 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095877149 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)c1 ZINC000095877150 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095877151 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095877152 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(CC5CCOCC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095877153 JH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095877154 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095877155 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095877156 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095877157 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095877158 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095877159 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095877160 JH Annotated Mild O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095877161 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)CCCCN3[C@H]2CO)cc1 ZINC000095877183 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@H]23)cc1 ZINC000095877184 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095877185 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095877186 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@H]23)cc1 ZINC000095877187 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095877188 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCC4)CCCCN3[C@H]2CO)cc1 ZINC000095877189 JH Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095877190 JH Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21 ZINC000095877289 JH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095877290 JH Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095877291 JH Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095877292 JH Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21 ZINC000095877293 JH Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095877294 JH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095877295 JH Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095877296 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)c1 ZINC000095877306 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)c1 ZINC000095877307 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@H]3C2)c1 ZINC000095877308 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CCC(C)C)cc2)[C@@H]3CO)c1 ZINC000095877309 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)c1 ZINC000095877310 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CCC(C)C)cc2)[C@@H]3CO)c1 ZINC000095877311 JH Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@H]3C2)c1 ZINC000095877312 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095877331 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095877332 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095877333 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095877334 JH Annotated Mild CN1c2ccc(C#Cc3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095877339 JH Annotated Mild CN1c2ccc(C#Cc3ccc(F)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095877340 JH Annotated Mild COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@H]32)cc1 ZINC000095877395 JH Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@H](CO)N3)c1 ZINC000095877408 JH Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@H]21 ZINC000095877428 JH Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095877429 JH Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095877430 JH Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1)[C@H](CO)N2 ZINC000095877491 JH Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095877494 JH Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095877495 JH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)cc1 ZINC000095877498 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)cc1 ZINC000095877499 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)cc1 ZINC000095877500 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)cc1 ZINC000095877501 JH Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H](CO)N3)c1 ZINC000095877516 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H](CO)N3)c1 ZINC000095877517 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H](CO)N3)c1 ZINC000095877518 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H](CO)N3)c1 ZINC000095877519 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO ZINC000095877528 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877529 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO ZINC000095877533 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877534 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 ZINC000095877535 JH Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(C#N)c4)cc3[C@H]21 ZINC000095877554 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(C#N)c4)cc3[C@@H]21 ZINC000095877555 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(C#N)c3)ccc1N[C@H]2CO ZINC000095877556 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(C#N)c4)cc3[C@@H]21 ZINC000095877570 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(C#N)c3)ccc1N(C)[C@H]2CO ZINC000095877571 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877620 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@H]21 ZINC000095877621 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3F)ccc1N[C@H]2CO ZINC000095877622 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877623 JH Annotated Mild COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(C#N)cc4)ccc2N[C@H]3CO)cc1 ZINC000095877624 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)N(C)c3ccc(C#Cc4ccccc4)cc3[C@H]21 ZINC000095877664 JH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@@H](CO)N3)c1 ZINC000095877669 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@H](CO)N3)c1 ZINC000095877670 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@@H](CO)N3)c1 ZINC000095877671 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@H](CO)N3)c1 ZINC000095877672 JH Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095877674 JH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095877675 JH Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2C)[C@@H](CO)N3)cc1 ZINC000095877742 JH Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2C)[C@H](CO)N3)cc1 ZINC000095877743 JH Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095877757 JH Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095877758 JH Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095877759 JH Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@H]21 ZINC000095877837 JH Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877838 JH Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877839 JH Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2OC)[C@@H](CO)N3)c1 ZINC000095877870 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2OC)[C@H](CO)N3)c1 ZINC000095877871 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2OC)[C@@H](CO)N3)c1 ZINC000095877872 JH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2OC)[C@H](CO)N3)c1 ZINC000095877873 JH Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095877971 JH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095877972 JH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095877973 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4ccccc4)ccc2N[C@H]3CO)c1 ZINC000095878000 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5)cc4[C@H]32)c1 ZINC000095878001 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5)cc4[C@@H]32)c1 ZINC000095878002 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccccc5)cc4[C@@H]32)c1 ZINC000095878003 JH Annotated Mild CN1c2ccc(C#Cc3cccc(F)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878094 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1 ZINC000095878101 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1 ZINC000095878103 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H](CO)N3)cc1 ZINC000095878104 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H](CO)N3)cc1 ZINC000095878105 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095878343 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095878344 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095878345 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095878346 JH Annotated Mild COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1OC)[C@@H](CO)N2 ZINC000095878347 JH Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccccc1OC)[C@H](CO)N2 ZINC000095878348 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@@H](CO)N3)cc1 ZINC000095878383 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H](CO)N3)cc1 ZINC000095878384 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@H](CO)N3)cc1 ZINC000095878385 JH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H](CO)N3)cc1 ZINC000095878386 JH Annotated Anodyne CN1c2ccc(C#Cc3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095878387 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)c1 ZINC000095878456 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(C#N)cc4)ccc2N[C@H]3CO)c1 ZINC000095878457 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@H]32)c1 ZINC000095878458 JH Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)c1 ZINC000095878459 JH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)c1 ZINC000095878470 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)c1 ZINC000095878471 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)c1 ZINC000095878472 JH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)c1 ZINC000095878473 JH Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095878480 JH Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095878481 JH Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@H]21 ZINC000095878482 JH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878486 JH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878487 JH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878488 JH Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@H](CO)N2 ZINC000095878505 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878571 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878572 JH Annotated Mild O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@H]21 ZINC000095878573 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C#N)cc3)ccc1N(C)[C@H]2CO ZINC000095878585 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21 ZINC000095878586 JH Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N[C@H]2CO ZINC000095878713 JH Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@H]21 ZINC000095878714 JH Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095878715 JH Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095878716 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21 ZINC000095878725 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C#N)cc3)ccc1N[C@H]2CO ZINC000095878726 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21 ZINC000095878727 JH Annotated Mild COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@H]21 ZINC000095878728 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1 ZINC000095878823 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H](CO)N3)c1 ZINC000095878824 JH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H](CO)N3)c1 ZINC000095878825 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)cc1 ZINC000095878838 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)cc1 ZINC000095878839 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)cc1 ZINC000095878840 JH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@H](CO)N3)cc1 ZINC000095878841 JH Annotated Mild O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095879153 JH Annotated Anodyne O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095879154 JH Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO ZINC000095879176 JH Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@H](C)c1ccccc1 ZINC000095879177 JH Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO ZINC000095879178 JH Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@@H](C)c1ccccc1 ZINC000095879179 JH Annotated Anodyne CCCN1[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095879351 JH Annotated Anodyne CCCN1[C@H](C(=O)N[C@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095879352 JH Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000095879353 JH Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000095879354 JH Annotated Anodyne CCN1[C@H](C(=O)N[C@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095879427 JH Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000095879428 JH Annotated Anodyne CCN1[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095879429 JH Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000095879430 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)[C@H]2N1Cc1ccccc1 ZINC000095879435 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)[C@@H]2N1Cc1ccccc1 ZINC000095879436 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(C)=O)[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095879895 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)N(C(C)=O)[C@@H]21 ZINC000095879896 JH Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095880551 JH Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095880552 JH Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2)N1CCC(Cc2ccccc2)CC1 ZINC000095880720 JH Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO)N1CCC(Cc2ccccc2)CC1 ZINC000095880721 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@@H]2N1C ZINC000095880835 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)[C@H]2N1C ZINC000095880836 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)N(C)[C@@H]21 ZINC000095881264 JH Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095881265 JH Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000095881573 JH Annotated Anodyne CCCN1[C@H](C(=O)N[C@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095881574 JH Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000095881575 JH Annotated Anodyne O=C([C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCC(Cc2ccccc2)CC1 ZINC000095881576 JH Annotated Anodyne O=C([C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCC(Cc2ccccc2)CC1 ZINC000095881577 JH Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 ZINC000095881677 JH Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095881678 JH Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1cocn1 ZINC000095881757 JH Annotated Anodyne O=C(Nc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1cocn1 ZINC000095881758 JH Annotated Anodyne CC[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(/C(C)=N/NC(=N)N)cc3)c(N)c2)c2cc(N)ccc21 ZINC000095882182 JH Annotated Mild O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095884579 JH Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095884580 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884670 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884671 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884672 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884673 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884674 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884675 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884676 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884928 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884929 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884930 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884931 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884932 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884933 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884934 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1ccccc1Cl ZINC000095884935 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1 ZINC000095884972 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885199 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885200 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885201 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885202 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885203 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885204 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095885205 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095885989 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095885990 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095885991 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095885992 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095885993 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1 ZINC000095885994 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095886104 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095886105 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095886106 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095886107 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095886108 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095886109 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887340 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887343 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887345 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887348 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887350 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887352 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887354 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCC1CCCCC1 ZINC000095887357 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1 ZINC000095887660 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1 ZINC000095887661 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1 ZINC000095887662 JH Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1 ZINC000095887663 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCC1CCCCC1 ZINC000095887664 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887989 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887990 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887991 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887992 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887993 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887994 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887995 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887996 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095887997 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095887998 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095887999 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888000 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888001 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095888002 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888003 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095888004 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888081 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888082 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888083 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888084 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888085 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888086 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888087 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888088 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888117 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888118 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888119 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888120 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888121 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888122 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888123 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888124 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3F)O[C@@H]1CO2 ZINC000095888148 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095888187 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095888188 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095888189 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095888190 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095888191 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095888192 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095888193 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095888194 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888235 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888236 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888237 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888238 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888239 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888240 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888241 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888242 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(F)c3)O[C@@H]1CO2 ZINC000095888259 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(F)c3)O[C@@H]1CO2 ZINC000095888402 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888466 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888467 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888468 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888469 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888470 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888471 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888472 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888473 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888504 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888505 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888506 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888507 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888508 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888509 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888510 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888511 JH Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C(C)C)cc4C(=O)N3C)O2)cc1 ZINC000095888519 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888607 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888608 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888609 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888610 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888611 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888612 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888613 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888614 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888630 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888631 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888632 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888633 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888634 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888635 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888636 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888637 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095888677 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888678 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888679 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095888680 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888681 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095888682 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095888683 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095888684 JH Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(Cl)c3)O[C@@H]1CO2 ZINC000095888694 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888703 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888704 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888705 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888706 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888707 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888708 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888709 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888710 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888711 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888712 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888713 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888714 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888715 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888716 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095888717 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888767 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888768 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888769 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888770 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888771 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888772 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888773 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888774 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888775 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888776 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888777 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888778 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888779 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888780 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888781 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888790 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888791 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888792 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888793 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888794 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888795 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888796 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095888797 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888814 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888815 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888816 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888817 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888818 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888819 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888820 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888821 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888854 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888855 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888856 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888857 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888858 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888859 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888860 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888861 JH Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095888901 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888911 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888912 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888913 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888914 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888915 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888916 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888917 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888918 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888919 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888920 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888921 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888922 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888923 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095888924 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095888925 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888954 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888955 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888956 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888957 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888958 JH Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888959 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888960 JH Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095888961 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889015 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889016 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889017 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889018 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889019 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889020 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889021 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889045 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889046 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889047 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889048 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889049 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889050 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889051 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095889052 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889053 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889054 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889055 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889056 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889057 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889058 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889059 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889060 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889155 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889156 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889157 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889158 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889159 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889160 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889161 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3F)O[C@@H]1CO2 ZINC000095889171 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095889341 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095889342 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095889343 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095889344 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095889345 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095889346 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095889347 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095889348 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889441 JH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3F)O[C@@H]1CO2 ZINC000095889478 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889495 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889496 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889497 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889498 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889499 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889500 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889501 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889502 JH Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3Cl)O[C@@H]1CO2 ZINC000095891458 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095891460 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095891461 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095891462 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095891463 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095891464 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095891465 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095891466 JH Annotated Anodyne Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095891467 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095891468 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095891469 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095891470 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095891471 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095891472 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095891473 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095891474 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891499 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891500 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891501 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891502 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891503 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891504 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891505 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891506 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095891539 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095891540 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095891541 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095891542 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095891543 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095891544 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095891545 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095891546 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3OC)O[C@@H]1CO2 ZINC000095891570 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095891625 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095891626 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095891627 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095891628 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095891629 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095891630 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095891631 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000095891669 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3F)O[C@@H]1CO2 ZINC000095891691 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891692 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891693 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891694 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891695 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891696 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891697 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891698 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891699 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891700 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891701 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891702 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095891703 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891704 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891705 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095891706 JH Annotated Anodyne Cc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)NC(C)C)cc4C(=O)N3C)O2)c1 ZINC000095891762 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891790 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891791 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891792 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891793 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891794 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891795 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891796 JH Annotated Anodyne COc1ccccc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891797 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891844 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891845 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891846 JH Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891847 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891848 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891849 JH Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095891850 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(C)c3)O[C@@H]1CO2 ZINC000095891972 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095891996 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095892006 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095892009 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095892010 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095892011 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095892012 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4C)cc3C(=O)N2C)O1 ZINC000095892013 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892125 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892126 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892127 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892128 JH Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892129 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892130 JH Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892131 JH Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(F)c3)O[C@@H]1CO2 ZINC000095892203 JH Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc4c(c3)CCC4)O[C@@H]1CO2 ZINC000095892218 JH Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(C)cc3)O[C@@H]1CO2 ZINC000095892331 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095892490 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095892491 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095892492 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095892493 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095892494 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095892495 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095892496 JH Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095892497 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095892503 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095892504 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095892505 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095892506 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095892507 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095892508 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095892509 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095892510 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892911 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892912 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892913 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892914 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892915 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892916 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1 ZINC000095892917 JH Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3c(F)cccc3F)O[C@@H]1CO2 ZINC000095892941 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892942 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892943 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892944 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892945 JH Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892946 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892947 JH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095892948 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095893138 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095893139 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095893140 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095893141 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095893142 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095893143 JH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095893144 JH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3C)O[C@@H]1CO2 ZINC000095893176 JH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894709 JH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894710 JH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894711 JH Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@H](CCO)N(S(C)(=O)=O)C2 ZINC000095898337 JH Annotated Anodyne CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@H]1O2 ZINC000095898445 JH Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)CC3(CCCCC3)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898454 JH Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)CC3(CCCCC3)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898455 JH Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)CC3(CCCCC3)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898456 JH Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)CC3(CCCCC3)CN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898457 JH Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)CC3(CCCCC3)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898458 JH Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)CC3(CCCCC3)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898459 JH Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@H]1O2 ZINC000095898683 JH Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@H]1O2 ZINC000095898684 JH Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@H]1O2 ZINC000095898685 JH Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@@H]1O2 ZINC000095898686 JH Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@H]1O2 ZINC000095898687 JH Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@@H]1O2 ZINC000095898688 JH Annotated Mild CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899133 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899134 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899135 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899136 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899137 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899138 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899139 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899140 JH Annotated Anodyne CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899185 JH Annotated Anodyne CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899186 JH Annotated Anodyne CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899187 JH Annotated Anodyne CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899188 JH Annotated Anodyne CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899189 JH Annotated Anodyne CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899190 JH Annotated Anodyne CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899191 JH Annotated Anodyne CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899192 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899216 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899217 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899218 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899219 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899220 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899221 JH Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899222 JH Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899223 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NC4CCCC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095899289 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NC4CCCC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095899290 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)NC4CCCC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095899291 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NC4CCCC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095899292 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NC4CCCC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095899293 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NC4CCCC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095899294 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NC4CCCC4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095899295 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899317 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899318 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899319 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899320 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899321 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899322 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899323 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899466 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899467 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899468 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899469 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899470 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899471 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899472 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899521 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899522 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899523 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899524 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899525 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899526 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899527 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899528 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899621 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899622 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899623 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899624 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899625 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899626 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095899627 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899641 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899642 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899643 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899644 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899645 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899646 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899647 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899648 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899649 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899650 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899651 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095899652 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899653 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095899654 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095899736 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095899737 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095899738 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095899739 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095899740 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095899741 JH Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095899742 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899799 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899800 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899801 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899802 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899803 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899804 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N4CCCCC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095899827 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N4CCCCC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095899828 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N4CCCCC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095899829 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCCCC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095899830 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCCCC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095899831 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N4CCCCC4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095899832 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N4CCCCC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095899833 JH Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N4CCCCC4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095899834 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900129 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900130 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900131 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900132 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900133 JH Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900134 JH Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900315 JH Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900316 JH Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900317 JH Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900318 JH Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900319 JH Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900320 JH Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900321 JH Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900322 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900340 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900341 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900342 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900343 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900344 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900345 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900346 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900347 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900348 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900349 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900350 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900351 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900352 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900353 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900354 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900355 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900356 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095900357 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900358 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095900359 JH Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900602 JH Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900603 JH Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900604 JH Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900605 JH Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900606 JH Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900607 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900667 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900668 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900669 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900670 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900671 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900672 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900673 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900674 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900962 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900963 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900964 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900965 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901160 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901161 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901162 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901163 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901164 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901165 JH Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901166 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901201 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901202 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901203 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901204 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901205 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901206 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901207 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901446 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901447 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901448 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901449 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901450 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901451 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901452 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901453 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901515 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901516 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901517 JH Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901518 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901519 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901520 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901521 JH Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901522 JH Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901523 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901524 JH Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901525 JH Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902025 JH Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902026 JH Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902027 JH Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902028 JH Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902029 JH Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902030 JH Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902031 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095903031 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095903032 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095903033 JH Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095903034 JH Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095903037 JH Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095903038 JH Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095903040 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095904046 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095904047 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095904050 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095904051 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095904052 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095904053 JH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095904054 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904080 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904081 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904082 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904083 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904084 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904085 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904086 JH Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904087 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095905151 JH Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095905152 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095905153 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095905154 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095905155 JH Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095905156 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095905157 JH Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095905158 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905340 JH Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905341 JH Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905342 JH Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905343 JH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905344 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905386 JH Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905387 JH Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905388 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905389 JH Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095905390 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095905848 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095905849 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095905850 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095905851 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095905852 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095905853 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095905854 JH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095905855 JH Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907020 JH Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907021 JH Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907022 JH Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907023 JH Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907024 JH Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907025 JH Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095907026 JH Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H](CO)O2)nn1 ZINC000095908031 JH Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](CO)O2)nn1 ZINC000095908032 JH Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](CO)O2)nn1 ZINC000095908033 JH Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H](CO)O2)nn1 ZINC000095908034 JH Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](CO)O2)nn1 ZINC000095908035 JH Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H](CO)O2)nn1 ZINC000095908036 JH Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H](CO)O2)nn1 ZINC000095908037 JH Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](CO)O2)nn1 ZINC000095908038 JH Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@H](O)CC(=O)[C@@]32C)C1 ZINC000095909398 JH Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@H](C)CC(=O)[C@@]23[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@H]2C[C@H](OC(C)=O)C[C@H]13 ZINC000095910031 JH Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(O)C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C ZINC000095910482 JH Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)C(=O)C=C[C@]23C)[C@@H]1OC(C)=O ZINC000095911525 JH Annotated Mild in-vitro biogenic COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3[C@H]2CO)ccc1O ZINC000095911798 JH Annotated Anodyne in-vitro biogenic C=C1C=CC[C@@]2(C)[C@@H](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 ZINC000095912258 JH Annotated Mild in-vitro biogenic COC(=O)[C@@H]1C[C@H]2CC[C@@H]1[C@H]1[C@@H]2[C@H]2CCCN3CC[C@@]4(c5ccccc5N(C(=O)OC)[C@@H]14)[C@H]23 ZINC000095914455 JH Annotated Anodyne in-vitro biogenic C[C@]1(CO)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1 ZINC000095914980 JH Annotated Anodyne in-vitro biogenic CC(C)C[C@H]1NC(=O)[C@H](NC(=O)/C=C\c2ccccc2)[C@@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000095915032 JH Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1[C@H](C)[C@@H](C)C[C@]12C1=CC(OC)=C(OC)C(=O)[C@@]13COc1c4c(cc2c13)OCO4 ZINC000095915074 JH Annotated Mild in-vitro biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000095918976 JH Annotated Anodyne N#CN/C(=N\c1ccncc1)NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000095920724 JH Annotated Mild O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c([N+](=O)[O-])c1 ZINC000095920743 JH Annotated Bother O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000095920916 JH Annotated Anodyne CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2 ZINC000095921033 JH Annotated Anodyne CCC[C@@H](CC(=O)O)n1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21 ZINC000095921190 JH Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3n[nH]c(=O)o3)c2)cn1 ZINC000095921249 JH Annotated Anodyne CN(Cc1ccccc1C(=O)NCC1CCC1)Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2 ZINC000095921395 JH Annotated Anodyne CC(C)(C)OC(=O)NCc1cc2c(cc1/C=C/S(=O)(=O)NCc1ccc(F)cc1)OCO2 ZINC000096019094 JH Annotated Anodyne CC(C)(C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(N3CCCC3)ccc2S1(=O)=O ZINC000096019367 JH Annotated Anodyne O=S(=O)(c1ccccc1Br)N(Cc1cn(CC2CCCCC2)nn1)C1CC1 ZINC000096019388 JH Annotated Anodyne COC(=O)[C@H](CC(C)C)N1Cc2nnn(CC3CCCCC3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019443 JH Annotated Anodyne COC(=O)[C@H](CC(C)C)N1Cc2nnn(Cc3ccc(C)cc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019899 JH Annotated Anodyne COC(=O)[C@H](CC(C)C)N1Cc2nnn(CC3CCCCC3)c2-c2ccccc2S1(=O)=O ZINC000096019973 JH Annotated Anodyne COc1ccc(/C=C/S(=O)(=O)NCc2ccc(F)cc2)c(CNC(=O)OC(C)(C)C)c1 ZINC000096020275 JH Annotated Anodyne COc1ccc(CNS(=O)(=O)/C=C/c2ccc(OC)cc2CNC(=O)OC(C)(C)C)cc1 ZINC000096020276 JH Annotated Anodyne COc1ccc(CNS(=O)(=O)/C=C/c2ccc(F)cc2CNC(=O)OC(C)(C)C)cc1 ZINC000096020289 JH Annotated Anodyne CC(C)C[C@H]1COc2cccc(F)c2S(=O)(=O)N1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020645 JH Annotated Anodyne C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020651 JH Annotated Anodyne C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020652 JH Annotated Anodyne Cc1ccccc1Cn1cc(CN2[C@@H](CC(C)C)COc3cccc(F)c3S2(=O)=O)nn1 ZINC000096020665 JH Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@@H](CC(C)C)COc4cccc(F)c4S3(=O)=O)nn2)cc1 ZINC000096020672 JH Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccco2)nn1 ZINC000096020684 JH Annotated Anodyne CC(C)C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccco2)nn1 ZINC000096020685 JH Annotated Anodyne CC(C)C[C@H]1COc2cccc(F)c2S(=O)(=O)N1Cc1cn(CC2CCCCC2)nn1 ZINC000096020702 JH Annotated Anodyne C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(CC2CCCCC2)nn1 ZINC000096020703 JH Annotated Anodyne C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(CC2CCCCC2)nn1 ZINC000096020704 JH Annotated Anodyne COc1ccc(Cn2cc(CN3[C@@H](CC(C)C)COc4ccc(Cl)cc4S3(=O)=O)nn2)cc1 ZINC000096020707 JH Annotated Anodyne O=C(NCCCN1CCOCC1)c1c(-c2ccccc2)oc2c1[C@@H](OCCCCCO)CCC2 ZINC000096020759 JH Annotated Anodyne O=C(NCCCN1CCOCC1)c1c(-c2ccccc2)oc2c1[C@H](OCCCCCO)CCC2 ZINC000096020760 JH Annotated Anodyne C#CCN1C[C@H](COc2ccccc2)Oc2cccc(Oc3ccc(OC)cc3)c2S1(=O)=O ZINC000096021338 JH Annotated Anodyne C#CCN1C[C@@H](COc2ccccc2)Oc2cccc(Oc3ccc(OC)cc3)c2S1(=O)=O ZINC000096021339 JH Annotated Anodyne CC1=C[C@@H]([C@H]2O[C@@H]3Cc4c(ccc5c4C=C[C@H]4C(C)(C)O[C@@H]6CC(=O)O[C@]46C5)[C@@H]3[C@@H]2C)OC1=O ZINC000096085556 JH Annotated Anodyne in-vitro COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@H]3COC(C)(C)OC[C@H]23)cc(OC)c1O ZINC000096085832 JH Annotated Anodyne in-vitro C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@@](C)(O)[C@H]2C[C@@H]3[C@@H](C)CO2)[C@](C)(OC(=O)CCC)CC[C@@H]1OC(C)=O ZINC000096086164 JH Annotated Mild Cc1ccc(Nc2ncnc3sc(C(=O)NCCCN(C)C)c(C)c23)c(OC2CCOCC2)n1 ZINC000096167853 JH Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccccc3Cl)CN12 ZINC000096168522 JH Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CN12 ZINC000096168534 JH Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)CN12 ZINC000096168544 JH Annotated Anodyne O=C1N(c2ccc(OCC(F)(F)F)cc2)C[C@H]2C[C@H](NS(=O)(=O)c3ccccc3Cl)CN12 ZINC000096168557 JH Annotated Anodyne O=C1N(c2ccc(OCC(F)(F)F)cc2)C[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3Cl)CN12 ZINC000096168559 JH Annotated Anodyne CC(C)(C)OC(=O)N1C=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CCC1 ZINC000096168853 JH Annotated Anodyne O=C1[C@@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@@H]2CCN1c1ccc(OC(F)(F)F)cc1 ZINC000096169507 JH Annotated Anodyne O=C(Cc1ccc(F)cc1)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000096169515 JH Annotated Anodyne O=C1[C@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169519 JH Annotated Anodyne O=C1[C@H]2C[C@H](NS(=O)(=O)c3ccccc3Cl)C[C@H]2CN1c1ccc(OC(F)(F)F)cc1 ZINC000096169531 JH Annotated Anodyne CCCC[C@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O ZINC000096170045 JH Annotated Anodyne CCCC[C@@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O ZINC000096170046 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CC[C@@H](O)C2)nc1 ZINC000096170162 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCC(O)CC2)nc1 ZINC000096170168 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CC[C@H](O)C2)nc1 ZINC000096170179 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2C[C@H]3C[C@@H]2CN3)nc1 ZINC000096170181 JH Annotated Anodyne NC1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170182 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc(N2CCC(O)CC2)s1 ZINC000096170186 JH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc(N2CCOCC2)s1 ZINC000096170188 JH Annotated Anodyne CCOC(=O)N=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1 ZINC000096170613 JH Annotated Anodyne CCOC(=O)N=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@@H](C)O)n2)cc1 ZINC000096170621 JH Annotated Anodyne CCCOc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172404 JH Annotated Anodyne CCCOc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172405 JH Annotated Anodyne CCCOc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172406 JH Annotated Anodyne CCCOc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172407 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1nc(Cl)nc(Cl)n1)=NC2 ZINC000096172412 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1nc(Cl)nc(Cl)n1)=NC2 ZINC000096172413 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1nc(Cl)nc(Cl)n1)=NC2 ZINC000096172414 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(Nc1nc(Cl)nc(Cl)n1)=NC2 ZINC000096172415 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1ccnc(C(F)(F)F)n1)=NC2 ZINC000096172462 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1ccnc(C(F)(F)F)n1)=NC2 ZINC000096172463 JH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1nc(C#N)nc3ccccc13)=NC2 ZINC000096172473 JH Annotated Mild Cc1csc2c(NC3=NCC4=C3CN(C(=O)N3C[C@@H]5CCCN5C[C@@H]3C)C4(C)C)ncnc12 ZINC000096172509 JH Annotated Anodyne CN1CCN(CC2=CCC(NC(=O)c3ccc(-c4cncc5ccccc45)c4nccnc34)=N2)CC1 ZINC000096173402 JH Annotated Anodyne Cc1cccc(C)c1-c1ccc(C(=O)NC2=NC(CN3CCN(C)CC3)=CC2)c2nccnc12 ZINC000096173405 JH Annotated Anodyne COc1cc(OC)c(F)c(-c2ccc(C(=O)NC3=NC(CN(C)C)=CC3)c3nccnc23)c1F ZINC000096173419 JH Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1 ZINC000096174038 JH Annotated Anodyne CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NCCC#N)n2)c1F ZINC000096174591 JH Annotated Mild CCCS(=O)(=O)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(CCCC(N)=O)n2)c1F ZINC000096174611 JH Annotated Anodyne C[C@@H]1CN(c2ccc3[nH]c(C4=NCc5ccc(NC(=O)[C@@H]6CC6(F)F)cc54)nc3c2)CCO1 ZINC000096174726 JH Annotated Anodyne C[C@H]1CN(c2ccc3[nH]c(C4=NCc5ccc(NC(=O)[C@@H]6CC6(F)F)cc54)nc3c2)CCO1 ZINC000096174727 JH Annotated Anodyne CC(C)=Cc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1 ZINC000096176176 JH Annotated Mild CC(C)Oc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176203 JH Annotated Mild CNc1ncnc2ccc(C#CCNC(=O)c3cccn([C@@H](C)c4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176317 JH Annotated Mild O=C(NCC#Cc1ccc2nccc(-c3cc[nH]c3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176342 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000096176449 JH Annotated Mild COc1ccccc1[C@@H]1[C@H]2C(=O)C(C)(C)CO[C@@]2(O)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000096176455 JH Annotated Anodyne CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000096176502 JH Annotated Mild CNC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176504 JH Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176531 JH Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCC(N)=O ZINC000096176557 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000096176630 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000096176631 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OCCCO)cc2)no1 ZINC000096176795 JH Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(N)=O)cc2)no1 ZINC000096176943 JH Annotated Mild CNC(=O)CCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176944 JH Annotated Mild CC(C)(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177044 JH Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(N)=O)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177083 JH Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096177145 JH Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096177146 JH Annotated Anodyne CNC(=O)C(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177166 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177647 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177648 JH Annotated Anodyne Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CC[C@H](O)[C@H](N)C1 ZINC000096177706 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](N)[C@H]1O ZINC000096177737 JH Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@H](N)[C@H]1O ZINC000096177738 JH Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](N)[C@H]1O ZINC000096177740 JH Annotated Anodyne C[C@@H]1C[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](N)[C@H]1O ZINC000096177741 JH Annotated Anodyne CC(=O)O[C@H]1CC[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@H]1N ZINC000096177744 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](O)[C@@H]1O ZINC000096177768 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@@H]1O ZINC000096177777 JH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@H]1O ZINC000096177778 JH Annotated Anodyne O=C(CC[n+]1cccc(F)c1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 ZINC000096258327 JH Annotated Bother Cc1ccc(NS(=O)(=O)[C@@H](Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1 ZINC000096258539 JH Annotated Anodyne Cc1ccc(NS(=O)(=O)[C@H](Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1 ZINC000096258540 JH Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000096258575 JH Annotated Anodyne O=C(O)COc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(F)cc2)cc1O ZINC000096258576 JH Annotated Anodyne O=C(O)COc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(F)cc2)cc1O ZINC000096258578 JH Annotated Anodyne O=c1c2cccc(COc3ccc(-c4cc(F)c(F)cc4Cl)cc3)c2[nH]n1C[C@@H](O)CO ZINC000096269814 JH Annotated Anodyne O=c1c2cccc(COc3ccc(-c4cc(F)c(F)cc4Cl)cc3)c2[nH]n1C[C@H](O)CO ZINC000096269818 JH Annotated Anodyne Cn1cc(-c2cc3[nH]nc(-c4cccc(S(N)(=O)=O)c4)c3cc2OC2CCCCC2)cn1 ZINC000096270041 JH Annotated Anodyne CCC[C@@H](Cn1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21)C(=O)O ZINC000096270249 JH Annotated Anodyne CCC[C@H](Cn1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21)C(=O)O ZINC000096270250 JH Annotated Anodyne CCC[C@H](CC(=O)O)n1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21 ZINC000096270251 JH Annotated Anodyne Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000096270530 JH Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)N[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O ZINC000096273421 JH Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc3ccnn23)C1=O ZINC000096273460 JH Annotated Anodyne CCn1nc(C)cc1C(=O)NCC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 ZINC000096282653 JH Annotated Anodyne Cc1ccc(/C=C2\CN(CCN3CCOCC3)CC3=C2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000096282908 JH Annotated Anodyne Cc1ccc(/C=C2\CN(CCN3CCOCC3)CC3=C2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 ZINC000096282909 JH Annotated Anodyne Cc1ccccc1/C=C1\CN(CCN2CCOCC2)CC2=C1NC(=S)N[C@@H]2c1ccccc1C ZINC000096282918 JH Annotated Anodyne Cc1ccccc1/C=C1\CN(CCN2CCOCC2)CC2=C1NC(=S)N[C@H]2c1ccccc1C ZINC000096282919 JH Annotated Anodyne COC(=O)c1nn(CCc2ccccc2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000096283143 JH Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 ZINC000096284001 JH Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 ZINC000096284005 JH Annotated Anodyne COc1cnc(N2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)nc1 ZINC000096284539 JH Annotated Anodyne O=C(NNC(=S)NCc1ccc(-c2ccccc2)cc1)[C@@H]1CNc2cc(Cl)ccc2O1 ZINC000096285270 JH Annotated Reactive O=C(NNC(=S)NCc1ccc(-c2ccccc2)cc1)[C@H]1CNc2cc(Cl)ccc2O1 ZINC000096285271 JH Annotated Reactive CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(C(=O)N[C@H](CO)CCO)n1C ZINC000096285618 JH Annotated Anodyne CCC(CC)(c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(C(=O)N[C@H](CO)CCO)n1C ZINC000096285619 JH Annotated Anodyne Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3 ZINC000096307641 JH Annotated Mild CCN(CC)CCC(=O)NC1=C[C@H]2C(=O)c3ccc(NC(=O)CCN(CC)CC)cc3N=C2C=C1 ZINC000096315955 JH Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]1C(C)C ZINC000096888417 JH Annotated Anodyne CCn1nc(-c2ccccc2)c2cc(C(=O)N[C@@H](C)CN3CCN(c4ncccn4)CC3)sc21 ZINC000096900083 JH Annotated Anodyne CCn1nc(-c2ccccc2)c2cc(C(=O)N[C@H](C)CN3CCN(c4ncccn4)CC3)sc21 ZINC000096900084 JH Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)c(Cl)c1Cl ZINC000096901265 JH Annotated Clean C=CCO[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N(CC=C)[C@H]2[C@H](OCC=C)[C@@H]1OCC=C)OCO4 ZINC000096901506 JH Annotated Mild CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)N[C@@]2(CC(C)C)C(=O)OC ZINC000096901696 JH Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@]23CN(C)CCC3=O)cc1 ZINC000096902375 JH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000096902453 JH Annotated Anodyne O=C1C(=O)N(Cc2cn([C@@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3/C=C/c3ccccc3)nn2)c2ccccc21 ZINC000096902697 JH Annotated Anodyne O=C1C(=O)N(Cc2cn([C@@H]3C(=O)N(c4ccccc4)[C@@H]3/C=C/c3ccccc3)nn2)c2ccc(F)cc21 ZINC000096902702 JH Annotated Anodyne Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cn([C@@H]2C(=O)N(c3ccccc3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000096902705 JH Annotated Anodyne Cc1nccn1CC(I)=C(I)I ZINC000096903330 JH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000096903453 JH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1Cl)C[C@@H](OC(C)=O)/C=C/CC[C@H]1O[C@@H]1C[C@@H](C)OC2=O ZINC000096903658 JH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1Cl)C[C@H](OC(C)=O)/C=C/CC[C@H]1O[C@@H]1C[C@@H](C)OC2=O ZINC000096903659 JH Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](n3cc(CN4C(=O)C(=O)c5ccccc54)nn3)[C@H]2/C=C/c2ccccc2)cc1 ZINC000096904692 JH Annotated Anodyne O=C1C(=O)N(Cc2cn([C@@H]3C(=O)N(C4CCCCC4)[C@@H]3/C=C/c3ccccc3)nn2)c2ccccc21 ZINC000096904695 JH Annotated Anodyne O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000096905427 JH Annotated Anodyne CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(CN3CCOCC3)cc21 ZINC000096907012 JH Annotated Mild CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)nc1 ZINC000096907040 JH Annotated Mild CC(C)NS(=O)(=O)c1ncc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cn1 ZINC000096907041 JH Annotated Mild COc1ccc2c(c1)CCC1=C2N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(Cl)cc1 ZINC000096907272 JH Annotated Anodyne COc1ccc2c(c1)CCC1=C2N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(Cl)cc1 ZINC000096907273 JH Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4cc(C#N)c(-c5cnn(C)c5)cc4c32)CCO1 ZINC000096907431 JH Annotated Mild COc1cncc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)c1 ZINC000096907438 JH Annotated Anodyne COc1cncc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)c1 ZINC000096907439 JH Annotated Anodyne CN(C)c1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907444 JH Annotated Anodyne CN(C)c1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907445 JH Annotated Anodyne COc1cc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)ccn1 ZINC000096907460 JH Annotated Anodyne COc1cc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)ccn1 ZINC000096907461 JH Annotated Anodyne COc1ccc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)nc1 ZINC000096907462 JH Annotated Anodyne COc1ccc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)nc1 ZINC000096907463 JH Annotated Anodyne CNc1cc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)ccn1 ZINC000096907470 JH Annotated Anodyne CNc1cc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)ccn1 ZINC000096907471 JH Annotated Anodyne O=C1Nc2ccc(Cl)cc2/C1=N/NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000096908836 JH Annotated Mild CN1CCC2=C[C@H](OC(=O)c3ccc(Br)cc3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096908971 JH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccc(Br)cc32)N1C(=O)c1ccc(C)cc1 ZINC000096908995 JH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccc(Br)cc32)N1C(=O)C1CCCCC1 ZINC000096908996 JH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)C1CCCCC1 ZINC000096908999 JH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@]2(N1)C(=O)N(C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc12 ZINC000096909003 JH Annotated Anodyne C/C=C(\C)C(=O)C1=C2C3=CN(CCO)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000096909111 JH Annotated Mild CC(=O)OCc1cc2ccc3c(c2c(-c2ccc(O)c(OC(C)=O)c2)c1COC(C)=O)OCO3 ZINC000096909446 JH Annotated Anodyne C=CCO[C@H]1C=C2c3cc4c(cc3C(=O)N(CC=C)[C@H]2[C@H](OCC=C)[C@@H]1OCC=C)OCO4 ZINC000096909481 JH Annotated Mild Cc1ccccc1Nc1ccc(=O)n(Cc2cccc(NC(=O)N3CCC(C(=O)N(C)C)CC3)c2)n1 ZINC000096909769 JH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](C1)[C@@H]([C@@H]1O[C@H]1C)[C@@H]1C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]1[C@@]2(C)O ZINC000096910175 JH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](C1)[C@@H]([C@@H]1O[C@@H]1C)[C@@H]1C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]1[C@@]2(C)O ZINC000096910176 JH Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)[C@H](O)[C@@](C)(O)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910177 JH Annotated Anodyne COc1ccccc1[C@H](COc1ccccc1C)NCCC(=O)N(CC(N)=O)Cc1ccc(C)cc1 ZINC000096910683 JH Annotated Anodyne COc1ccccc1[C@@H](COc1ccccc1C)NCCC(=O)N(CC(N)=O)Cc1ccc(C)cc1 ZINC000096910684 JH Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCn3nc(C4CCC(CNC(=O)CC(C)C)CC4)cc32)c1 ZINC000096910690 JH Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000096910806 JH Annotated Bother Cc1cc(C)c2c(=O)n(CN(Cc3ccccn3)Cn3sc4nc(C)cc(C)c4c3=O)sc2n1 ZINC000096910910 JH Annotated Anodyne CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccc3ccccc3c1)c(C(F)(F)F)[n+]2[O-] ZINC000096911063 JH Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cc(=O)c5ccccc5o4)o3)nc2n1 ZINC000096911313 JH Annotated Anodyne COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCCC2CCNCC2)n1 ZINC000096914110 JH Annotated Mild C=CCOC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1Nc2cc3c(cc2[C@@H]2OC(C)(C)O[C@@H]12)OCO3 ZINC000096915272 JH Annotated Mild Cc1cnn(-c2ccc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ncc(C(F)(F)F)cn2)c1 ZINC000096917233 JH Annotated Anodyne CC(=O)Oc1ccc(/C=C/S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1OC(C)=O ZINC000096917406 JH Annotated Anodyne COc1cc(C)c(Cl)cc1S(=O)(=O)n1c(C)c(/C=N/N2CCN(C)CC2)c2ccccc21 ZINC000096921212 JH Annotated Mild Cc1c(/C=N/N2CCN(C)CC2)c2ccccc2n1S(=O)(=O)c1cccc2c(N(C)C)cccc12 ZINC000096921220 JH Annotated Mild CCN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000096921256 JH Annotated Anodyne CN1CCN(C23C[C@@H](NC(=O)CN4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921591 JH Annotated Anodyne COc1cc(-c2c(C(=O)c3ccccc3)[nH]c3nc[nH]c(=O)c23)cc(Br)c1OC ZINC000096921739 JH Annotated Anodyne O=C(c1ccccc1)c1[nH]c2[nH]c(=O)[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921760 JH Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)c3cccnc3)c(OC)c2)cc1OC ZINC000096922531 JH Annotated Anodyne COc1c(OC)c(C(=O)O)c2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000096922552 JH Annotated Anodyne CCCS(=O)(=O)Nc1cc(F)c(C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)c(F)c1 ZINC000096922932 JH Annotated Mild COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4cc(Cl)sc4Cl)CC3)o2)cc1 ZINC000096923035 JH Annotated Anodyne COc1cc([C@H]2Oc3cc4c(c(O)c3C(=O)[C@@H]2O)CC[C@](C)(CCCC(C)(C)O)O4)ccc1O ZINC000096923996 JH Annotated Anodyne COc1cc([C@H]2Oc3cc4c(c(O)c3C(=O)[C@@H]2O)CC[C@@](C)(CCCC(C)(C)O)O4)ccc1O ZINC000096923997 JH Annotated Anodyne COc1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C ZINC000096926930 JH Annotated Anodyne CC(C)(C)c1cc(N2CCC(O)=NC2=O)cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000096926931 JH Annotated Anodyne CC(C)(C)c1cc(N2CCC(O)=NC2=O)cc(C(=O)Nc2ccc(OS(C)(=O)=O)cc2)c1O ZINC000096926932 JH Annotated Anodyne CN(c1ccc(NC(=O)c2cc(N3CCC(O)=NC3=O)cc(C(C)(C)C)c2O)cc1)S(C)(=O)=O ZINC000096926934 JH Annotated Anodyne CC(C)(C)c1cc(N2CCC(O)=NC2=O)cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1O ZINC000096926936 JH Annotated Anodyne CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](O)[C@@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C ZINC000096927030 JH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)C(=O)O)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)c1ccccc1 ZINC000096927100 JH Annotated Mild CC(=O)OC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)[C@@H](OC(C)=O)[C@]12C ZINC000096927208 JH Annotated Anodyne CC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000096927218 JH Annotated Anodyne C/C(=N/NC(=O)c1sc(=S)n(-c2ccccc2)c1N)c1ccc(N2CCOCC2)cc1 ZINC000096927937 JH Annotated Reactive CCCC1CCC(N(Cc2ccc3c(c2)OCO3)c2nc(C#N)nc(N3CCOCC3)n2)CC1 ZINC000096928157 JH Annotated Mild Nc1n[nH]c(NC(=S)Nc2ccc(C(=O)NCC(=O)O)cc2)c1/N=N/c1ccc(Cl)cc1 ZINC000096928664 JH Annotated Clean COc1cc(-c2nc3sc4c(c3c(=O)n2-c2conc2O)CCCC4)cc(OC)c1OC ZINC000096928929 JH Annotated Anodyne CCOC(=O)/C(CC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)=N\NC(=S)Nc1ccccc1 ZINC000096929364 JH Annotated Mild COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ncn[nH]c2=O)cc1C(C)(C)C ZINC000096929684 JH Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)CO ZINC000096929687 JH Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C1(C)COC1 ZINC000096929688 JH Annotated Anodyne COc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000096929959 JH Annotated Anodyne COc1ccc(/C=N/Nc2nc(S)nc(-c3cc(OC)c(OC)c(OC)c3)c2C#N)cc1 ZINC000096932371 JH Annotated Mild Nc1nc(OCC2CCCCC2)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1 ZINC000096932473 JH Annotated Anodyne COc1ccccc1/C=N/Nc1nc(S)nc(-c2cc(OC)c(OC)c(OC)c2)c1C#N ZINC000096932745 JH Annotated Mild S=C(NCCc1ccccc1)N/N=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000096933187 JH Annotated Mild C/C=C/CNC(=N)NCCCCCCCCN1CCCCOc2ccccc2CN/C(N)=N\C1=O ZINC000096933930 JH Annotated Anodyne COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC ZINC000096934081 JH Annotated Reactive COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC ZINC000096934082 JH Annotated Reactive COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC ZINC000096934083 JH Annotated Reactive COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC ZINC000096934084 JH Annotated Reactive CCCCOC(=O)CCSC1=C(N2CCC3(CC2)OCCO3)C(=O)c2ccccc2C1=O ZINC000096934158 JH Annotated Mild CCc1ccc(-c2cn([C@@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934604 JH Annotated Mild CCc1ccc(-c2cn([C@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934605 JH Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc(-c4ccncc4)[nH]c3c2)c1F ZINC000096937587 JH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(N)cc1 ZINC000096937946 JH Annotated Clean CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(N)cc1 ZINC000096937947 JH Annotated Clean C=CC(=O)Nc1c(OC)cc(OC)c2c(=O)n(-c3cccc(C(=O)N4CCCCC4)c3)ccc12 ZINC000096938028 JH Annotated Anodyne Cc1ccccc1-c1nn(-c2ccc(Br)cc2)cc1CNCCN1CCN(C)CC1 ZINC000096938966 JH Annotated Anodyne Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNC1CCN(S(C)(=O)=O)CC1 ZINC000096938973 JH Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccc(Cl)cc1)C[C@H](O)CN1CCOCC1 ZINC000096939087 JH Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccc(Cl)cc1)C[C@@H](O)CN1CCOCC1 ZINC000096939088 JH Annotated Anodyne O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000096939367 JH Annotated Bother O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc2ccc(Br)cn12 ZINC000096939370 JH Annotated Bother COc1cc(-c2ccc3nc(CS(=O)(=O)c4ccccc4)c([N+](=O)[O-])n3c2)cc(OC)c1OC ZINC000096939378 JH Annotated Bother O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Br)cc(Br)cn12 ZINC000096939380 JH Annotated Bother COc1ccccc1OCCN1C[C@H](COc2ccc3[nH]c4ccccc4c3c2)OCS1(=O)=O ZINC000096939479 JH Annotated Anodyne COc1ccccc1OCCN1C[C@@H](COc2ccc3[nH]c4ccccc4c3c2)OCS1(=O)=O ZINC000096939481 JH Annotated Anodyne CN1CCC(CNC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1 ZINC000096939885 JH Annotated Bother CO[C@]1(C(F)(F)F)[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000096940475 JH Annotated Anodyne N#Cc1ccc([C@H]2[C@H]3C(=O)N(CC4=CC[C@H](F)C=C4)[C@](O)(C(F)(F)F)[C@H]3[C@@H]3CCCN32)cc1 ZINC000096940510 JH Annotated Mild N#Cc1ccc([C@H]2[C@H]3C(=O)N(CC4=CC[C@@H](F)C=C4)[C@](O)(C(F)(F)F)[C@H]3[C@@H]3CCCN32)cc1 ZINC000096940511 JH Annotated Mild COc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccc(C#N)cc4)N4CCC[C@H]4[C@@H]3[C@@]2(O)C(F)(F)F)cc1 ZINC000096940516 JH Annotated Mild COc1ccc(CN2C(=O)[C@H]3[C@@H]([C@@H]4CCCN4[C@H]3c3ccc(C#N)cc3)[C@@]2(O)C(F)(F)F)cc1 ZINC000096940517 JH Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](CC(F)F)[C@H]3[C@@H]3CCCN32)cc1 ZINC000096941640 JH Annotated Anodyne CC1(C)CC(=O)c2c(ccc3c2NC(=O)[C@]32C[C@]3([N+](=O)[O-])CN4CCC[C@H]4C[C@@H]3C2(C)C)O1 ZINC000097653187 JH Annotated Bother in-vitro COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN([C@@H]4OC(=O)c5ccccc54)CC3)=C(O)C2)cc1 ZINC000097940165 JH Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CCCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098081983 JH Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CCCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098081984 JH Annotated Reactive COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)SC ZINC000098082141 JH Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCCCBr)c1ccccc12 ZINC000098082239 JH Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCCCBr)c1ccccc12 ZINC000098082240 JH Annotated Reactive CCOC(=O)/C(=C/c1ccc(Cl)cc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000098082541 JH Annotated Anodyne C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 ZINC000098083254 JH Annotated Reactive C=CCn1c(=O)c([C@H]2C(C(=O)OC(C)C)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000098083255 JH Annotated Mild CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@H]1c1ccccc1Cl)CCCC2 ZINC000098083728 JH Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@@H]1c1ccccc1Cl)CCCC2 ZINC000098083729 JH Annotated Clean COc1cc([C@@H]2SCC(=O)N2c2nc(-c3c(O)cc(C)oc3=O)cs2)cc(OC)c1OC ZINC000098083760 JH Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2nc(-c3c(O)cc(C)oc3=O)cs2)cc(OC)c1OC ZINC000098083761 JH Annotated Anodyne COc1ccc2cc(/C=N/n3c(Cc4ccc(S(C)(=O)=O)cc4)n[nH]c3=S)ccc2c1 ZINC000098084130 JH Annotated Mild COc1ccc(F)cc1-c1cccc(-c2nn(CCOS(=O)(=O)c3ccc(F)cc3)c(=O)o2)c1 ZINC000098084384 JH Annotated Mild CCCCN1C(=S)N(c2ccccc2Cl)C(=O)C[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000098085311 JH Annotated Anodyne CCCCN1C(=S)N(c2ccccc2Cl)C(=O)C[C@@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000098085312 JH Annotated Anodyne CCOc1ccc(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 ZINC000098085576 JH Annotated Anodyne CCOc1ccc(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 ZINC000098085577 JH Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)NC1CCN(C)CC1 ZINC000098185421 JH Annotated Mild CCN(Cc1ccccc1)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1 ZINC000098196413 JH Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(CNc2cc3cc(Oc4ccccc4)ccc3n(O)c2=O)c1O ZINC000098207818 JH Annotated Anodyne COc1c(CN2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)ccc(C(=O)O)c1Oc1cccc(Cl)c1 ZINC000098208386 JH Annotated Anodyne