COC(=O)Cc1cc(O)n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 ZINC000001029664 IH Annotated Anodyne COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000001032339 IH Annotated Mild COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000001032340 IH Annotated Mild CCOC(=O)c1c(C)oc2ccc(S(=O)(=O)n3cc(-c4ccc(C)cc4)c(N)n3)cc12 ZINC000001070527 IH Annotated Anodyne CCOc1cc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc(OCC)c1OCC ZINC000001070962 IH Annotated Anodyne CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(/N=C3\C(=O)Nc4ccccc43)C2=O)cc1 ZINC000001089775 IH Annotated Mild Brc1ccc(-c2nnc3ccc(N4CCN(c5ccccc5)CC4)nn23)cc1 ZINC000001170352 IH Annotated Anodyne Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 ZINC000001215492 IH Annotated Reactive Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3F)c3nnnn3c2c1 ZINC000001367315 IH Annotated Anodyne Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3F)c3nnnn3c2c1 ZINC000001367317 IH Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000001484957 IH Annotated Mild COc1cc(CCC[C@@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C ZINC000001485252 IH Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(Br)c24)cc1 ZINC000001490294 IH Annotated Mild CCN1C(=O)N[C@@H](c2ccc(F)c(Br)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010353497 IH Annotated Anodyne CCN1C(=O)N[C@H](c2ccc(F)c(Br)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010353498 IH Annotated Anodyne Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000010433608 IH Annotated Anodyne O=C1N2C=C(c3ccc(O)cc3)N[C@@H](CC3CCCC3)C2=N[C@]1(Cc1ccc(O)cc1)OO ZINC000100033770 IH Annotated Reactive in-vivo CN1C=CCC(C(=O)NCCc2ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)=C1 ZINC000100049269 IH Annotated Anodyne CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100058896 IH Annotated Mild in-vitro CC(C)(O)[C@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100058899 IH Annotated Mild in-vitro CC(C)(O)[C@@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100058902 IH Annotated Mild in-vitro CC(C)(O)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100058905 IH Annotated Mild in-vitro CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@@H](C(=O)[C@@H](C)[C@H](C)O)[C@H]3C2=CO1 ZINC000100070601 IH Annotated Mild in-vitro CC(C)(C)[C@@H](NC(=O)CCCc1cccnc1)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000100079371 IH Annotated Mild CC(C)(C)[C@H](NC(=O)CCCc1cccnc1)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000100079373 IH Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]2N3)cc1 ZINC000100087519 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000100088405 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2C)cc1 ZINC000100088805 IH Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O ZINC000100088827 IH Annotated Mild in-vitro CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NCCS(=O)(=O)O)=CC1=O ZINC000100090361 IH Annotated Mild in-vitro O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(O)nc3)nc2n1CC1CCCCC1 ZINC000100091679 IH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100092120 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(C)c3)cc2)cc1 ZINC000100092697 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000100092779 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)NC3CCCCC3)cc2)cc1 ZINC000100093141 IH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100093205 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(C)c3)cc2)cc1 ZINC000100093470 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(C#N)c2)cc1 ZINC000100093781 IH Annotated Mild COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100093816 IH Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100093961 IH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100093974 IH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100094036 IH Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100094285 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100094331 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000100094440 IH Annotated Mild CN1[C@H]2C[C@H](CO)[C@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000100095901 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100096177 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096219 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000100096329 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000100101275 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000100101278 IH Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100101322 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cccc(C)c3)cc2)c1 ZINC000100101325 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccc(C)c3)cc2)c1 ZINC000100101327 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100101331 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100101333 IH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100101336 IH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000100101394 IH Annotated Mild Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000100101395 IH Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5C)C[C@@H]3N4)cc2)c1 ZINC000100101511 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5C)C[C@@H]3N4)cc2)c1 ZINC000100101513 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(C)c3)cc2)cc1 ZINC000100101559 IH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]2N3)cc1 ZINC000100101564 IH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]2N3)cc1 ZINC000100101567 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100101569 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100101571 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)C[C@@H]3N4)cc2)cc1 ZINC000100101615 IH Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100101712 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(C)c3)cc2)cc1 ZINC000100101723 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100101756 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100101757 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(C#N)c2)cc1 ZINC000100101767 IH Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]2N3)cc1 ZINC000100101770 IH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]2N3)cc1 ZINC000100101774 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000100106038 IH Annotated Mild COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(C)c2)cc1 ZINC000100106215 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(C)c2)cc1 ZINC000100106220 IH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2C)cc1 ZINC000100106399 IH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2C)cc1 ZINC000100106402 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3C)cc2)c1 ZINC000100106458 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3C)cc2)c1 ZINC000100106459 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100106486 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100106489 IH Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100106773 IH Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100106776 IH Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106947 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000100106978 IH Annotated Mild Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000100106982 IH Annotated Mild COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)c1 ZINC000100107203 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)c1 ZINC000100107206 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3F)cc2)cc1 ZINC000100107301 IH Annotated Anodyne N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)cc1 ZINC000100108025 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(C#N)c2)cc1 ZINC000100108234 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(C#N)c2)cc1 ZINC000100108236 IH Annotated Mild O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100108468 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100108645 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2C)cc1 ZINC000100108676 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100108811 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100108920 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5C)C[C@@H]3N4)cc2)cc1 ZINC000100109034 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5C)C[C@@H]3N4)cc2)cc1 ZINC000100109041 IH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]2N3)cc1 ZINC000100109241 IH Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2C)cc1 ZINC000100109437 IH Annotated Anodyne COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100114447 IH Annotated Anodyne COc1cc(/C=C/C(=O)CC2=C[C@H](c3ccc(O)c(OC)c3)SC(N)=N2)ccc1O ZINC000100115902 IH Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@@H](c3ccc(O)c(OC)c3)SC(N)=N2)ccc1O ZINC000100115904 IH Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@@H]12 ZINC000100150822 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]3C(=O)C[C@@H](C)[C@@H]2[C@H]3[C@@]1(C)CO ZINC000100267434 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]3[C@H](C)CC(=O)[C@@H]2[C@@H]3[C@@]1(C)CO ZINC000100267436 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@@H]2[C@H]3[C@@]1(C)CO ZINC000100267439 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]3[C@@]1(C)CO ZINC000100267441 IH Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000100270166 IH Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000100270169 IH Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000100270171 IH Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000100270173 IH Annotated Anodyne Cc1c(/N=C2/SCC(=O)N2/N=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000100271000 IH Annotated Mild COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(c4cc(C)on4)[C@@H]3c3ccccc3)oc12 ZINC000100272144 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(c4cc(C)on4)[C@H]3c3ccccc3)oc12 ZINC000100272147 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(c4cc(C)on4)[C@@H]3c3ccccc3)oc12 ZINC000100272150 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(c4cc(C)on4)[C@H]3c3ccccc3)oc12 ZINC000100272153 IH Annotated Anodyne COC(=O)/C(Nc1ccccc1)=C(\C(=O)C(=O)N(C)c1ccccc1)C(=O)c1ccccc1 ZINC000100274417 IH Annotated Mild COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccnc3)oc12 ZINC000100281422 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccnc3)oc12 ZINC000100281426 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccnc3)oc12 ZINC000100281427 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccnc3)oc12 ZINC000100281431 IH Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100286751 IH Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000100286753 IH Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100286758 IH Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000100286764 IH Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](CCC(N)=O)CC2)cc1)C(F)(F)F ZINC000100418246 IH Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@H](CCC(N)=O)CC2)cc1)C(F)(F)F ZINC000100418251 IH Annotated Anodyne CCN1CCN(c2cc3[nH]c(C(=O)[C@@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2C)CC1 ZINC000100423295 IH Annotated Anodyne COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000100446374 IH Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000100446380 IH Annotated Mild Cc1cccc(NC(=O)C2=CC3=N[C@H](c4ccc5c(c4)OCO5)C[C@H](C(F)(F)F)N3N2)c1 ZINC000100489897 IH Annotated Anodyne Cc1cccc(NC(=O)C2=CC3=N[C@@H](c4ccc5c(c4)OCO5)C[C@H](C(F)(F)F)N3N2)c1 ZINC000100489904 IH Annotated Anodyne Cc1cccc(NC(=O)C2=CC3=N[C@H](c4ccc5c(c4)OCO5)C[C@@H](C(F)(F)F)N3N2)c1 ZINC000100489909 IH Annotated Anodyne Cc1cccc(NC(=O)C2=CC3=N[C@@H](c4ccc5c(c4)OCO5)C[C@@H](C(F)(F)F)N3N2)c1 ZINC000100489915 IH Annotated Anodyne CCCCCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC ZINC000100506647 IH Annotated Anodyne CCCCCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC ZINC000100506653 IH Annotated Anodyne O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)Nc1ccc2c3c(cccc13)CC2 ZINC000100507590 IH Annotated Anodyne aggregator O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100530462 IH Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(F)c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100530467 IH Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000100533354 IH Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000100533361 IH Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000100533368 IH Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000100533372 IH Annotated Mild COc1ccc(C2=CNN/C2=C2\C=CC(OCc3ccc([N+](=O)[O-])cc3)=CC2=O)cc1OC ZINC000100551715 IH Annotated Mild O=C(c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2)N1CCOCC1 ZINC000100620861 IH Annotated Anodyne O=C(c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2)N1CCOCC1 ZINC000100620862 IH Annotated Anodyne CCc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000100623004 IH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1CCO ZINC000100633054 IH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@H]1CC[C@H](C2)N1CCO ZINC000100633058 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633368 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633374 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cncc3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633406 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cncc3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633411 IH Annotated Anodyne COc1cc(S(=O)(=O)n2ccc3ccc(F)cc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633435 IH Annotated Anodyne COc1cc(S(=O)(=O)n2ccc3ccc(F)cc32)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633442 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633483 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633488 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCOCC1 ZINC000100636770 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H]1CCCOC1 ZINC000100636827 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCCOC1 ZINC000100636832 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@H]1CCCO1 ZINC000100636872 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@@H]1CCCO1 ZINC000100636874 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H]1CC1(F)F ZINC000100636889 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CC1(F)F ZINC000100636892 IH Annotated Anodyne Cc1cc(C(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1 ZINC000100636916 IH Annotated Anodyne COCCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1 ZINC000100636964 IH Annotated Anodyne COCCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1 ZINC000100636991 IH Annotated Anodyne CO[C@H](C)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100637076 IH Annotated Anodyne CO[C@@H](C)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100637078 IH Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)CC1(O)CCC1 ZINC000100637087 IH Annotated Anodyne CS(=O)(=O)CC(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638919 IH Annotated Anodyne CN(C)S(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638967 IH Annotated Anodyne Cc1nc2nc(NCc3cc(Br)ccc3O)nn2c(O)c1Cc1ccccc1 ZINC000100695375 IH Annotated Clean Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(OCc3ccccc3)c1)C1=C(O)CCCC1=N2 ZINC000100703191 IH Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(O)CCCC1=N2 ZINC000100703194 IH Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(O)CCCC1=N2 ZINC000100703258 IH Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(O)CCCC1=N2 ZINC000100703262 IH Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705289 IH Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)N3CCOCC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705334 IH Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705363 IH Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705364 IH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000100705963 IH Annotated Bother CSC1=Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4Cl)CC3)CN12 ZINC000100740181 IH Annotated Anodyne CSC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4Cl)CC3)CN12 ZINC000100740182 IH 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)CCCC ZINC000100757428 IH Annotated Mild COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000100772855 IH Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000100772857 IH Annotated Anodyne in-man endogenous COc1cc(CC[C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O ZINC000100773666 IH Annotated Clean in-man endogenous COc1cc(CC[C@@H]2C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O ZINC000100773671 IH Annotated Clean in-man endogenous O=C1C[C@@H](Cc2ccccc2C(F)(F)F)C(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000100794826 IH Annotated Mild Cc1ccc(C(=O)N2N[C@@H](c3ccccc3F)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1 ZINC000100807375 IH Annotated Anodyne Cc1ccc(C(=O)N2N[C@@H](c3ccccc3F)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1 ZINC000100807379 IH Annotated Anodyne Cc1ccc(C(=O)N2N[C@@H](c3ccc(F)cc3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000100807382 IH Annotated Anodyne Cc1ccc(C(=O)N2N[C@@H](c3ccc(F)cc3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000100807383 IH Annotated Anodyne Cc1ccc(C(=O)N2N[C@@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000100807386 IH Annotated Anodyne C/C(=C\[C@H](O)[C@H](O)[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)C(C(=O)O)=CC[C@H]12)C(=O)O ZINC000100810663 IH Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H]4C[C@@]45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC ZINC000100811455 IH Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@]45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC ZINC000100811458 IH Annotated Mild COc1ccc2cc1Oc1ccc(cc1)/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/2 ZINC000100828617 IH Annotated Anodyne in-man COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@]23[C@@H](OC)O4)cc1 ZINC000100861363 IH Annotated Reactive COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 ZINC000100861368 IH Annotated Reactive CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4ccc(C)cc4)[C@]13OO2 ZINC000100861706 IH Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4ccc(C)cc4)[C@@]13OO2 ZINC000100861711 IH Annotated Reactive O=C1C=C(Nc2ccc(C(F)(F)F)cc2)C(=O)c2c1noc2NCCN1CCCCC1 ZINC000100873275 IH Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC1=C(O)C(O)=C/C(=N\[C@@H](CO)C(=O)O)C1=O ZINC000100958589 IH Annotated Mild CCOC(=O)[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000100994773 IH Annotated Mild CCOC(=O)[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000100994777 IH Annotated Mild N=C(Nc1ccccc1)N1CCN(/C=C2/N=C(c3cccc4ccccc34)OC2=O)CC1 ZINC000101009007 IH Annotated Anodyne in-vivo Cc1ccc(OCCCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101030544 IH Annotated Anodyne Cc1ccc(OCCCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101030545 IH Annotated Anodyne Cc1ccc([C@H]2CN(C(=O)c3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)CCO2)cc1C ZINC000101031054 IH Annotated Anodyne Cc1ccc([C@@H]2CN(C(=O)c3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)CCO2)cc1C ZINC000101031055 IH Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)CCC2 ZINC000101031968 IH Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc2c(c1)CCC2 ZINC000101031971 IH Annotated Anodyne Cc1cccc2c1c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C ZINC000101035088 IH Annotated Anodyne Cc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C ZINC000101035255 IH Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(Cl)ccc21 ZINC000101035555 IH Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c(Cl)cccc21 ZINC000101037129 IH Annotated Anodyne CC(C)(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101037177 IH Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CC1CCCCC1 ZINC000101037776 IH Annotated Anodyne CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000101042634 IH Annotated Reactive CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000101042635 IH Annotated Reactive CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C(=O)CC)=C(O)C(C)(C)C2=O)c1O ZINC000101058344 IH Annotated Mild CCC(=O)C1=C(O)C(CC2=C(O)C(C)(C)C(=O)C(C(=O)CC)=C2O)=C(O)C(C)(C)C1=O ZINC000101061822 IH Annotated Mild O=C(CCCCCCCCCCOc1ccccc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O ZINC000101065792 IH Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](O)C2)cc1OC(C)C ZINC000101074500 IH Annotated Mild O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101075703 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101075711 IH Annotated Anodyne CC[C@@H](C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077739 IH Annotated Anodyne CC[C@H](C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077743 IH Annotated Anodyne CC1(C)CC(NC(=O)/C=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)CC(C)(C)N1[O] ZINC000101084255 IH Annotated Anodyne C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@@H](O[C@H](C)CC)C(=O)/C=C(\C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000101121187 IH Annotated Mild C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@@H](O[C@@H](C)CC)C(=O)/C=C(\C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000101121189 IH Annotated Mild O[C@@H]1CC[C@@H](Nc2ncc(C(F)(F)F)c(NC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101139424 IH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc(C(F)(F)F)c(NC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101139426 IH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc(C(F)(F)F)c(NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101139428 IH Annotated Anodyne COc1cc(-c2ccc3c(n2)C(=O)C=C(NCc2ccccc2)C3=O)cc(OC)c1OC ZINC000101149000 IH Annotated Mild CCOC(=O)[C@@]12CC[C@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101164527 IH Annotated Anodyne CCOC(=O)[C@]12CC[C@@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101164531 IH Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccc(Br)cc2Cl)c2ncc(C(=O)O)c(=O)n21 ZINC000101171080 IH Annotated Mild C[C@H]1CC/C(=N/Nc2ccc(Br)cc2Cl)c2ncc(C(=O)O)c(=O)n21 ZINC000101171088 IH Annotated Mild CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)CC2=CN[C@H](C)N2)cc1 ZINC000101237158 IH Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)CC2=CN[C@@H](C)N2)cc1 ZINC000101237163 IH Annotated Anodyne Cc1ccc(CN2CCN(CCCOc3ccc4c(O)c5nnnc-5oc4c3C)CC2)cc1 ZINC000101256209 IH Annotated Anodyne CO[C@]12C=C[C@@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000101256480 IH Annotated Anodyne CO[C@@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000101256487 IH Annotated Anodyne CO[C@@]12C=C[C@@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000101256491 IH Annotated Anodyne CC[C@@H](C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]1C[C@@H](O)[C@H](C(=O)O)O1 ZINC000101269078 IH Annotated Mild in-vivo O=C(NCCF)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@@H](C3)O4)c3sccc3n2)cc1 ZINC000101306770 IH Annotated Anodyne O=C(NCCF)Nc1ccc(-c2nc(N3C[C@H]4CC[C@H](C3)O4)c3sccc3n2)cc1 ZINC000101306782 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000101341571 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000101341576 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000101341581 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000101341586 IH Annotated Mild COCCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101370778 IH Annotated Mild COCCOCCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101370783 IH Annotated Mild COCCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101370792 IH Annotated Mild COCCOCCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101370799 IH Annotated Mild CC[C@H]1COC[C@H](C)N1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000101372661 IH Annotated Anodyne Cc1ccc(C(=O)CN(C)C(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101375230 IH Annotated Anodyne Cc1ccc(C(=O)CN(C)C(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101375234 IH Annotated Anodyne O=C1[C@H]2[C@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101396358 IH Annotated Anodyne O=C1[C@@H]2[C@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101396362 IH Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1O[C@H]2C(c2ccc(O)cc2)=C1c1ccc(O)cc1 ZINC000101396369 IH Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000101403117 IH Annotated Mild CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000101403119 IH Annotated Mild CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000101403136 IH Annotated Anodyne CCN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1c(C)noc1C ZINC000101403177 IH Annotated Anodyne C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@@H]12 ZINC000101451602 IH Annotated Bother C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@@H]12 ZINC000101451603 IH Annotated Bother CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000101451972 IH Annotated Mild O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCSCC3)cc2n2c1sc1ccccc12 ZINC000101456645 IH Annotated Bother COc1cc(-c2ccc3c(n2)C(=O)C(NCc2ccccc2)=CC3=O)cc(OC)c1OC ZINC000101459112 IH Annotated Mild CCN(CC)CCNc1ccc(CN(C)S(C)(=O)=O)c2sc3ccccc3c(=O)c12 ZINC000101467569 IH Annotated Bother CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000101489358 IH Annotated Reactive CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000101489360 IH Annotated Reactive Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000101521113 IH Annotated Anodyne Cc1cc(C)cc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000101544501 IH Annotated Mild Cc1cc(C)cc(C(=O)N2C[C@@H](C)S/C2=N\c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000101544510 IH Annotated Mild CCCCCCCCCCCc1nc(=N)n2c(c1C(=O)OCCCCNC(=N)N)CCC2 ZINC000101564748 IH Annotated Mild COc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)c(OC)c1OC ZINC000101626937 IH Annotated Anodyne COc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)c(OC)c1OC ZINC000101626938 IH Annotated Anodyne CC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)C=C3)C1=O ZINC000101631428 IH Annotated Mild CC(C)(C)[C@@H](NC(=O)Cc1ccc(C#N)cc1)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632044 IH Annotated Mild CC(C)(C)[C@H](NC(=O)Cc1ccc(C#N)cc1)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632047 IH Annotated Mild N#C/C(=C(/O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000101632415 IH Annotated Reactive O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3ccncc3)C2)cn1 ZINC000101634505 IH Annotated Anodyne O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3cccnc3)C2)cn1 ZINC000101634510 IH Annotated Anodyne O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3ccccn3)C2)cn1 ZINC000101634513 IH Annotated Anodyne CCOC(=O)CN(C(=O)CSc1n[nH]c2c3cc(C)cc(C)c3nc-2n1)c1ccccc1 ZINC000101636374 IH Annotated Anodyne CC(=O)N1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101653619 IH Annotated Anodyne Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000101656151 IH Annotated Reactive Cc1ccc(CNC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(C)c2)cc1 ZINC000101664349 IH Annotated Anodyne CCOC(=O)c1c2c(c(C)n1Cc1ccc(C)cc1)-c1oc(=O)c(C(=O)OC)cc1CC2 ZINC000101680688 IH Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(=O)c2[nH]c3ncnc4ncn(c=2c1=O)c43 ZINC000101688243 IH Annotated Bother O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000101696622 IH Annotated Anodyne CC1(C)[C@]2(Br)O[C@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]31[C@]1(C)O[C@@H]1[C@H]2O ZINC000101708828 IH Annotated Reactive N#C/C(=C(/O)COC(=O)COc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000101714565 IH Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 ZINC000101719088 IH Annotated Reactive COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(C(=O)c3ccccc3)CC1)=N2 ZINC000101752277 IH Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(C(=O)c3ccccc3)CC1)=N2 ZINC000101752282 IH Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC([C@H](O)c3ccccc3)CC1)=N2 ZINC000101761229 IH Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC([C@H](O)c3ccccc3)CC1)=N2 ZINC000101761232 IH Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC([C@@H](O)c3ccccc3)CC1)=N2 ZINC000101761236 IH Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC([C@@H](O)c3ccccc3)CC1)=N2 ZINC000101761242 IH Annotated Anodyne CC(C)N(CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccccc1 ZINC000101785822 IH Annotated Anodyne CCN(CCCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O)c1cccc(C)c1 ZINC000101785836 IH Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4c5cc(C)ccc5nc-4c3O)CC2)c1 ZINC000101799487 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@@H]3CO3)c3oc(=O)c(C(C)(C)[C@@H]4CO4)cc13)OC(C)(C)[C@@H]1O[C@@H]21 ZINC000101800747 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@@H]3CO3)c3oc(=O)c(C(C)(C)[C@@H]4CO4)cc13)OC(C)(C)[C@H]1O[C@H]21 ZINC000101800750 IH Annotated Anodyne CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c3ccccc3nc-2c1O ZINC000101803863 IH Annotated Anodyne O=C1[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101811798 IH Annotated Anodyne O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101811801 IH Annotated Anodyne O=C1[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccccc3)=NO[C@H]2C(=O)N1c1ccccc1 ZINC000101811805 IH Annotated Anodyne O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101811809 IH Annotated Anodyne CCN(CCCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O)Cc1ccccc1 ZINC000101843806 IH Annotated Anodyne C=CCOC(=O)N[C@@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000101848575 IH Annotated Mild C=CCOC(=O)N[C@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000101848583 IH Annotated Mild O=C1CCC/C(=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)C1 ZINC000101848757 IH Annotated Reactive COCCC/N=C/c1c(C)nn(-c2ccc(Br)cc2Br)c1O ZINC000101860156 IH Annotated Mild COCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c3ccccc3nc-2c1O ZINC000101880627 IH Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000101906702 IH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000101906706 IH Annotated Mild CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3cccs3)CC2=O)CC1 ZINC000101937079 IH Annotated Mild Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(Sc3nc[nH]n3)C(=O)c3ccccc32)cc1C ZINC000101946800 IH Annotated Mild aggregator O=C(N/C(=C\C=C\c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000101956330 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)/C(=C(/O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@@H]1c1ccc(C)cc1 ZINC000101962204 IH Annotated Mild aggregator COC(=O)[C@@H]1C(=O)/C(=C(/O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@H]1c1ccc(C)cc1 ZINC000101962208 IH Annotated Mild aggregator O=C(CNC(=O)c1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000101967356 IH Annotated Clean CC(C)N/C(=N/C(=O)OC(C)(C)C)NC1=NC(=O)CN1c1cccc(Cl)c1Cl ZINC000101990687 IH Annotated Mild CCOc1ccc2c(=O)cc(CC)oc2c1COC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000102004584 IH Annotated Anodyne CCOc1ccc2c(=O)cc(CC)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000102004587 IH Annotated Anodyne CCC(=O)[C@@H](C)C(=O)[C@]1(C)Cc2ccc(OC)c3c2N(C1=O)c1cccc(C(=O)O)c1N3 ZINC000102016818 IH Annotated Anodyne CCC(=O)[C@H](C)C(=O)[C@]1(C)Cc2ccc(OC)c3c2N(C1=O)c1cccc(C(=O)O)c1N3 ZINC000102016824 IH Annotated Anodyne CCC(=O)[C@@H](C)C(=O)[C@@]1(C)Cc2ccc(OC)c3c2N(C1=O)c1cccc(C(=O)O)c1N3 ZINC000102016827 IH Annotated Anodyne CCC(=O)[C@H](C)C(=O)[C@@]1(C)Cc2ccc(OC)c3c2N(C1=O)c1cccc(C(=O)O)c1N3 ZINC000102016831 IH Annotated Anodyne CCOC(=O)CCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[18F])ccc2n1C ZINC000102027990 IH Annotated Bother C/C(=C\[C@@H](O)[C@H](O)[C@@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)C(C(=O)O)=CC[C@H]12)C(=O)O ZINC000102069673 IH Annotated Anodyne COc1cc([C@@H]2CC(c3c(O)c4ccccc4oc3=O)=NC(S)=N2)cc(OC)c1OC ZINC000102075370 IH Annotated Anodyne COc1cc([C@H]2CC(c3c(O)c4ccccc4oc3=O)=NC(S)=N2)cc(OC)c1OC ZINC000102075373 IH Annotated Anodyne O=C(NC1CCCCCCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000102125491 IH Annotated Anodyne O=S(=O)(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1 ZINC000102185518 IH Annotated Mild COc1cc([C@H]2C3=C(O)OCC3=Nc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000102207386 IH Annotated Anodyne COc1cc([C@@H]2C3=C(O)OCC3=Nc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000102207390 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@@H]1C[C@H]2O[C@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000102223048 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000102223053 IH Annotated Anodyne Cc1c(N2C(=O)C(Cl)=C(Nc3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000102250795 IH Annotated Anodyne CC/N=C1\S/C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)C(=O)N1CC ZINC000102444021 IH Annotated Mild O=C1C(C2=N[C@@H](c3ccccn3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000102496134 IH Annotated Mild O=C1C(C2=N[C@H](c3ccccn3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000102496141 IH Annotated Mild Cc1ccc(-c2csc(/C(C#N)=C(/O)CN3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000102502670 IH Annotated Reactive CCCOc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000102514232 IH Annotated Mild CCCOc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000102514238 IH Annotated Mild C=CCN(C(=O)CSc1nc2nncc-2c(O)n1-c1ccccc1OC)c1ccccc1 ZINC000102516641 IH Annotated Mild CCCOc1cccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102530037 IH Annotated Mild CCCOc1cccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102530045 IH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccs2)cc1 ZINC000102537866 IH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccs2)cc1 ZINC000102537874 IH Annotated Mild COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)c1 ZINC000102541309 IH Annotated Mild COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)c1 ZINC000102541315 IH Annotated Mild Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)s1 ZINC000102583517 IH Annotated Mild Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)s1 ZINC000102583522 IH Annotated Mild 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)cc1 ZINC000102637652 IH 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)cc1 ZINC000102637655 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)/C(=C(\O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@@H]1c1ccc(C)cc1 ZINC000102643783 IH Annotated Mild aggregator COC(=O)[C@@H]1C(=O)/C(=C(\O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@H]1c1ccc(C)cc1 ZINC000102643787 IH Annotated Mild aggregator O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000102660337 IH Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000102660340 IH Annotated Anodyne N#C/C(=C(\O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000102680911 IH Annotated Reactive CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000102710644 IH Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000102710652 IH Annotated Mild CC(=O)c1ccc([C@@H]2C[C@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@@H]3C[C@@H]2O4)cc1 ZINC000102769424 IH Annotated Anodyne CC(=O)c1ccc([C@H]2C[C@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@@H]3C[C@@H]2O4)cc1 ZINC000102769426 IH Annotated Anodyne Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000102795660 IH Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102802417 IH Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102802420 IH Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1ncn(N)c(=N)c1[C@@H]2c1ccc(Br)cc1 ZINC000102820130 IH Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1ncn(N)c(=N)c1[C@H]2c1ccc(Br)cc1 ZINC000102820134 IH Annotated Anodyne COc1ccc(C(=O)c2c3n(c(=N)c4c(F)c(C#N)c(F)c(Cl)c24)CCCN3)cc1 ZINC000102826256 IH Annotated Mild Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 ZINC000102850377 IH Annotated Anodyne COc1cc(/C(O)=C/C(=O)c2nnn(Cc3cccc(F)c3)c2C)cc(OC)c1OC ZINC000102897571 IH Annotated Mild COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102909737 IH Annotated Mild COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102909739 IH Annotated Mild CCOc1ccc(/N=N/[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(Cl)cc3)N=C2C)cc1 ZINC000102920389 IH Annotated Clean CCOc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(Cl)cc3)N=C2C)cc1 ZINC000102920391 IH Annotated Clean Cc1ccc2cccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000102923442 IH Annotated Anodyne COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000102927062 IH Annotated Anodyne COc1cc(/C(O)=C/C(=O)c2nnn(Cc3ccc(F)cc3)c2C)cc(OC)c1OC ZINC000102927950 IH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1NC2(c3ccccc3Nc3ccccc32)[C@H](C#N)S1 ZINC000102933774 IH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1NC2(c3ccccc3Nc3ccccc32)[C@@H](C#N)S1 ZINC000102933776 IH Annotated Mild CCOc1ccccc1/N=N/[C@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2Cl)N=C1C ZINC000102936069 IH Annotated Clean CCOc1ccccc1/N=N/[C@@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2Cl)N=C1C ZINC000102936070 IH Annotated Clean COC(=O)C(=O)O[C@@]1(C(C)=O)C[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000102943177 IH Annotated Anodyne COC(=O)C(=O)O[C@]1(C(C)=O)C[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000102943179 IH Annotated Anodyne O/N=C1C(=C\c2ccc3c(c2)OCCO3)\CCC[C@@H]\1[C@H](NO)c1ccc2c(c1)OCCO2 ZINC000102949908 IH Annotated Mild O/N=C1C(=C\c2ccc3c(c2)OCCO3)\CCC[C@H]\1[C@H](NO)c1ccc2c(c1)OCCO2 ZINC000102949911 IH Annotated Mild O/N=C1C(=C\c2ccc3c(c2)OCCO3)\CCC[C@@H]\1[C@@H](NO)c1ccc2c(c1)OCCO2 ZINC000102949914 IH Annotated Mild O/N=C1C(=C\c2ccc3c(c2)OCCO3)\CCC[C@H]\1[C@@H](NO)c1ccc2c(c1)OCCO2 ZINC000102949917 IH Annotated Mild C=C1c2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)[C@@]2(C(=O)OC)C[C@H]3C=C[C@H]2N1C3 ZINC000102964078 IH Annotated Anodyne CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1ccc(OC)c(OC)c1 ZINC000102965068 IH Annotated Clean CC(C)=CC[C@]1(C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000102973068 IH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1N[C@@]2(c3ccccc3Nc3ccc(C)cc32)[C@H](C#N)S1 ZINC000102977564 IH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1N[C@]2(c3ccccc3Nc3ccc(C)cc32)[C@H](C#N)S1 ZINC000102977566 IH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1N[C@@]2(c3ccccc3Nc3ccc(C)cc32)[C@@H](C#N)S1 ZINC000102977568 IH Annotated Mild CCOC(=O)C(C(=O)OCC)=C1N[C@]2(c3ccccc3Nc3ccc(C)cc32)[C@@H](C#N)S1 ZINC000102977570 IH Annotated Mild C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@H](CCC(N)=O)CC2)cc1)C(F)(F)F ZINC000102982657 IH Annotated Anodyne C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](CCC(N)=O)CC2)cc1)C(F)(F)F ZINC000102983305 IH Annotated Anodyne O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102986505 IH Annotated Bother CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000103012746 IH Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000103012749 IH Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000103012751 IH Annotated Mild CC(=O)C1=C(C)N(c2ccc(C)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000103012754 IH Annotated Mild COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)c3ccccc3C(=O)[C@@H]1N2C1CCCCC1 ZINC000103014856 IH Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccccc3)c3ccccc3C(=O)[C@H]1N2C1CCCCC1 ZINC000103014858 IH Annotated Anodyne O=C(O)CN1C(=O)[C@H](n2nc(-c3ccccc3)cc2-c2ccccc2O)c2ccccc21 ZINC000103019620 IH Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(F)cc3)C(=O)[C@@]12C ZINC000103023455 IH Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(F)cc3)C(=O)[C@]12C ZINC000103025068 IH Annotated Mild N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccco3)nc(Br)c3cccnc23)CC1 ZINC000103071047 IH Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4nccnc4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103086403 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl ZINC000103092120 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl ZINC000103092128 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103093342 IH Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000103095418 IH Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000103095426 IH Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@@H](C(=O)O)[C@H](C)O)C1=O ZINC000103097528 IH Annotated Mild CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(O)c(O)c1O ZINC000103098423 IH Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@@H](C(=O)O)[C@@H](C)O)C1=O ZINC000103099830 IH Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@H](C(=O)O)[C@@H](C)O)C2=O)[C@@H]1C ZINC000103099919 IH Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@H](C(=O)O)[C@H](C)O)C1=O ZINC000103101153 IH Annotated Mild CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)C1=NC=NC1)c1ccc(C(C)(C)C)cc1 ZINC000103101212 IH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)C1=NC=NC1)c1ccc(C(C)(C)C)cc1 ZINC000103101213 IH Annotated Anodyne CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@@H](C(=O)O)[C@@H](C)O)C2=O)[C@@H]1C ZINC000103101818 IH Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@@H](C(=O)O)[C@H](C)O)C2=O)[C@@H]1C ZINC000103102165 IH Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@H](C(=O)O)[C@H](C)O)C2=O)[C@@H]1C ZINC000103102334 IH Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@H](C(=O)O)[C@@H](C)O)C1=O ZINC000103103369 IH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000103106668 IH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000103106673 IH Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Br)=C(Nc1ccc(OC)cc1)C2=O ZINC000103118595 IH Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Br)=C(Nc1ccc(F)cc1)C2=O ZINC000103119185 IH Annotated Mild COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccncc3)[C@@H]2C(=O)NC(C)C)cc1 ZINC000103119761 IH Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccncc3)[C@H]2C(=O)NC(C)C)cc1 ZINC000103119765 IH Annotated Anodyne COC(=O)c1c(C)nc(C)c2c1C(=O)C(Br)=C(Nc1ccc(C)cc1)C2=O ZINC000103122477 IH Annotated Mild CNc1ccc(-c2nc(=O)n(CCCOC)c3c2oc2ccc(-c4cnn(C)c4)cc23)cn1 ZINC000103129521 IH Annotated Anodyne CNCCNc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(Cl)cc23)cc1 ZINC000103135351 IH Annotated Anodyne COCCn1c(=O)nc(-c2ccc(NCCN3CCCC3)cc2)c2oc3ccccc3c21 ZINC000103135396 IH Annotated Anodyne C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)Nc5nccs5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144652 IH Annotated Mild CC(=O)Nc1ccc(CC[C@H]2CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@H](O)/C=C/C(=O)O2)cc1 ZINC000103146844 IH Annotated Anodyne C[C@@H]1COC2(CCN(c3cc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 ZINC000103149531 IH Annotated Bother C[C@H]1COC2(CCN(c3cc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 ZINC000103149535 IH Annotated Bother C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 ZINC000103163902 IH Annotated Reactive CN1CCN(CN2C(=O)N(c3ccccc3)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000103167113 IH Annotated Anodyne C=C1[C@@H](C)C[C@@H](OC(=O)CCc2ccccc2)[C@@]2(C)[C@H]1[C@@H](O)C=C1[C@@H](OC)O[C@@H](OC)[C@@H]12 ZINC000103168231 IH Annotated Mild O=C1Nc2ccc(Br)cc2/C1=N/n1c(CCc2ccccc2)n[nH]c1=S ZINC000103169207 IH Annotated Mild CCN(CC)CN1C(=O)/C(=N\n2c(CCc3ccccc3)n[nH]c2=S)c2ccccc21 ZINC000103169209 IH Annotated Mild CCc1cc(CC)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)n1 ZINC000103169436 IH Annotated Anodyne CCc1cc(CC)nc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)n1 ZINC000103169438 IH Annotated Anodyne Cn1c2nc3ccccc3c-2c(N2CCN(CCO)CC2)c2cc(C(F)(F)F)ccc21 ZINC000103172636 IH Annotated Bother Cn1c(=O)cc(Oc2nc(NCCCl)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21 ZINC000103174504 IH Annotated Reactive COc1ccc(-c2c(-c3ccc(SC)cc3)nc3sc(S(N)(=O)=O)nn23)cc1 ZINC000103174885 IH Annotated Anodyne CC(C)Nc1nc(Nc2ccc(C#N)cc2)nc(Oc2cc(=O)n(C)c3ccccc23)n1 ZINC000103176233 IH Annotated Mild Cc1cccc(NC(=O)Cn2c(COc3c(C)cc(Br)cc3C)noc2=O)c1 ZINC000103177186 IH Annotated Anodyne COc1ccc(OC)c(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccccc2)c1 ZINC000103178647 IH Annotated Mild Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C(C)(C)N(OS(C)(=O)=O)C2=O)c(C)c1 ZINC000103181926 IH Annotated Mild Cc1cc(O)n2s/c(=N\C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)nc2n1 ZINC000103182930 IH Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2cc(OC)ccc21 ZINC000103184017 IH Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2cc(OC)ccc21 ZINC000103184019 IH Annotated Mild Cc1cc(O)nc(NC(=S)NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)n1 ZINC000103184392 IH Annotated Anodyne CCOC(=O)[C@@H](NC(=O)c1cn(CC)c2cc(C(F)(F)F)ccc2c1=O)[C@H](C)CC ZINC000103185720 IH Annotated Anodyne CCOC(=O)[C@H](CC(C)C)NC(=O)c1cn(CC)c2cc(C(F)(F)F)ccc2c1=O ZINC000103185723 IH Annotated Anodyne CC1=N/C(=C\c2ccccc2C)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103185729 IH Annotated Mild COc1ccc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(C)cc2)cc1 ZINC000103185778 IH Annotated Mild COc1cc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(C)cc2)ccc1O ZINC000103185784 IH Annotated Mild COc1ccc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(C)cc2)cc1O ZINC000103185787 IH Annotated Mild CC1=N/C(=C\c2ccccc2F)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186878 IH Annotated Mild CC1=N/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186879 IH Annotated Mild CC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186980 IH Annotated Mild CC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186983 IH Annotated Mild CCc1nn(C)c(C(=O)NCc2ccc(OCC(F)(F)C(F)(F)F)nc2)c1Cl ZINC000103187167 IH Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc(F)cc2)c1 ZINC000103189443 IH Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(F)cc2)c1 ZINC000103189446 IH Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1I ZINC000103189940 IH Annotated Anodyne Cc1ccc(S(=O)(=O)OC[C@@]2(C)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)cc1 ZINC000103190936 IH Annotated Reactive Cc1ccc(S(=O)(=O)OC[C@@]2(C)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]2[C@]53OO4)cc1 ZINC000103190939 IH Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(CC(=O)Oc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103192702 IH Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(CC(=O)Oc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103192705 IH Annotated Reactive CC(=O)Oc1ccccc1-c1nnc(NC(=O)C/C(C)=N/c2ccc([N+](=O)[O-])cn2)s1 ZINC000103194019 IH Annotated Mild C/C(CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)=N\c1ccc([N+](=O)[O-])cn1 ZINC000103194022 IH Annotated Mild CNC(=O)/C(=N/OC)c1ccccc1COc1nc(OC(C)C)ccc1C(F)(F)F ZINC000103195342 IH Annotated Mild CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(C(F)(F)F)c(OC(C)C)n1 ZINC000103195349 IH Annotated Mild O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)C(F)F)cc1 ZINC000103197442 IH Annotated Anodyne COc1cc([C@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc(OC)c1OC ZINC000103200457 IH Annotated Anodyne COc1cc([C@@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc(OC)c1OC ZINC000103200460 IH Annotated Anodyne O=C(NC(=O)N(SN1CCOCC1)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000103200765 IH Annotated Anodyne CCN(CC)c1nc(Nc2ccc(C#N)cc2)nc(Oc2cc(=O)n(C)c3ccccc23)n1 ZINC000103201300 IH Annotated Mild O=C1N(c2ccccc2)c2ncnc(N3CCOCC3)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103202500 IH Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCOCC3)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103202502 IH Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCOCC3)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103202505 IH Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCOCC3)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103202506 IH Annotated Anodyne O=C1N(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1CN1CCOCC1 ZINC000103206505 IH Annotated Anodyne CCN1CCN(c2nc(Nc3ccccc3)nc(Oc3cc(=O)oc4ccccc34)n2)CC1 ZINC000103207334 IH Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc([N+](=O)[O-])cc3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103210509 IH Annotated Bother CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(F)c(F)c3F)o2)c(Cl)c1=O ZINC000103215895 IH Annotated Anodyne O=C(NNc1nc(Nc2ccccn2)nc(Nc2ccccc2Cl)n1)c1ccncc1 ZINC000103217332 IH Annotated Reactive COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000103217573 IH Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000103217577 IH Annotated Mild O=C1CCCCCCCCCCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000103218275 IH Annotated Bother COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Br)cc1Br ZINC000103218298 IH Annotated Anodyne COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Br)cc1Br ZINC000103218301 IH Annotated Anodyne CCOP(=O)(OCC)O/C(=N\N=C1/C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000103219708 IH Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000103219716 IH Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000103219718 IH Annotated Bother O=C1NC(=O)C(=Cc2c(-c3ccccc3)n(CC(=O)c3ccccc3)c3ccccc23)C(=O)N1 ZINC000103220146 IH Annotated Clean COc1ccc(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)cc1 ZINC000103220648 IH Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000103220859 IH Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000103220862 IH Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(O)cc2)cc1F ZINC000103222125 IH Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(O)cc2)cc1F ZINC000103222128 IH Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(O)c2)cc1F ZINC000103222131 IH Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(O)c2)cc1F ZINC000103222134 IH Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2O)cc1F ZINC000103222136 IH Annotated Clean Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2O)cc1F ZINC000103222140 IH Annotated Clean COc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)ccc1-n1cnc(C)c1 ZINC000103225425 IH Annotated Anodyne COc1cc(C=C(C#N)C#N)c(-c2cc3c(cc2C=C(C#N)C#N)OCO3)c(OC)c1OC ZINC000103227142 IH Annotated Reactive COc1cc(/C=C/[N+](=O)[O-])c(-c2cc3c(cc2/C=C/[N+](=O)[O-])OCO3)c(OC)c1OC ZINC000103227147 IH Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000103227293 IH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000103227300 IH Annotated Mild O=C1C[C@H](c2c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c3ccccn23)C(=O)N1c1ccccc1 ZINC000103228421 IH Annotated Bother O=C1C[C@@H](c2c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c3ccccn23)C(=O)N1c1ccccc1 ZINC000103228425 IH Annotated Bother CCOC(=O)/C(C#N)=C/c1ccccc1-c1c(C(=O)OC)cc(OC)c(OC)c1OC ZINC000103228595 IH Annotated Reactive COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000103228863 IH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)cc1Cl ZINC000103228865 IH Annotated Mild CC(C)Oc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000103229043 IH Annotated Mild CC(C)Oc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000103229046 IH Annotated Mild COc1ccc(-c2cnn(-c3ccc4c5c(cccc35)C(=O)N(CCN(C)C)C4=O)c2)cc1 ZINC000103230279 IH Annotated Anodyne COc1cccc(-c2cnn(-c3ccc4c5c(cccc35)C(=O)N(CCN(C)C)C4=O)c2)c1 ZINC000103230281 IH Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccc(F)cc5)cn4)ccc(c23)C1=O ZINC000103230869 IH Annotated Anodyne N#C/N=C(\NCc1ccc(S(=O)(=O)c2cccc3cccnc23)cc1)Nc1ccncc1 ZINC000103231977 IH Annotated Mild CCCNC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 ZINC000103232803 IH Annotated Anodyne COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2Cl)ccc1-n1cnc(Cl)c1 ZINC000103235435 IH Annotated Bother CN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccc(Cl)cc23)C(=O)N(C)C1=O ZINC000103235951 IH Annotated Clean COc1cccc(-c2cn(C[C@H]3CC4=C(C(=O)c5c(OC)cccc5C4=O)[C@@H](C)O3)nn2)c1 ZINC000103236782 IH Annotated Mild COc1ccc(-c2cn(C[C@H]3CC4=C(C(=O)c5c(OC)cccc5C4=O)[C@@H](C)O3)nn2)cc1 ZINC000103236801 IH Annotated Mild COc1ccccc1-c1cn(C[C@H]2CC3=C(C(=O)c4c(OC)cccc4C3=O)[C@@H](C)O2)nn1 ZINC000103236811 IH Annotated Mild CCOc1ccc2nc(-n3c(=O)c4cccnc4n(-c4ccc(F)cc4)c3=O)sc2c1 ZINC000103237497 IH Annotated Anodyne N#Cc1ccc(-c2cs/c(=N/NC(=O)CSc3ncccn3)n2-c2ccccc2)cc1 ZINC000103238681 IH Annotated Reactive O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000103239954 IH Annotated Anodyne CC(C)(C)C(=O)Oc1coc(CSc2nnc(NC(=O)c3ccccc3)s2)cc1=O ZINC000103240522 IH Annotated Anodyne CC(=O)CN1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O ZINC000103241313 IH Annotated Anodyne COc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)/C=C/c2ccccc2)cc1OC ZINC000103242372 IH Annotated Mild COc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)/C=C/c2ccccc2)cc1OC ZINC000103242374 IH Annotated Mild Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C3CC3)n(C3CCOCC3)c2n1 ZINC000103243438 IH Annotated Anodyne COc1cc2c(cc1OC/C=C\Cn1cc(-c3ccccc3)nn1)N=C[C@@H]1CCCN1C2=O ZINC000103244643 IH Annotated Anodyne COc1cc2c(cc1OC/C=C/Cn1cc(-c3ccccc3)nn1)N=C[C@@H]1CCCN1C2=O ZINC000103244651 IH Annotated Anodyne Cc1nc2ccccc2c(=O)n1C(=S)NC(=O)Nc1nc2c(Cl)cccc2s1 ZINC000103246357 IH Annotated Anodyne COc1ccc2c(c1O)CCCC(CCC(N)=O)=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103247659 IH Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ncccn2)c(-c2ccc(Cl)cc2)c1 ZINC000103247979 IH Annotated Anodyne C=C(C(=O)NCc1cn(Cc2cccc(OC)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248189 IH Annotated Mild C=C(C(=O)NCc1cn(Cc2ccc(OC)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248191 IH Annotated Mild C=C(C(=O)NCc1cn(Cc2ccccc2F)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248201 IH Annotated Mild C=C(C(=O)NCc1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248202 IH Annotated Mild C=C(C(=O)NCc1cn(Cc2ccc(F)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103251751 IH Annotated Mild N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCCNC(=O)c2ccc(O)c3ncccc23)cc1 ZINC000103252450 IH Annotated Anodyne CCC(CC)C(=O)Nc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1OCC(=O)O ZINC000103253705 IH Annotated Anodyne C#CCN(CCCN(C)C)CCc1cc(OC)c(Br)cc1Br ZINC000103258730 IH Annotated Mild CC(C)C[C@H]1C(=O)N[C@@H](c2nccs2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264340 IH Annotated Anodyne CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(N(C)C)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265339 IH Annotated Anodyne CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265341 IH Annotated Bother CC(C)C[C@H]1C(=O)N[C@@H](C2CCSCC2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265404 IH Annotated Anodyne CCOC(=O)/C=C/c1cc(OC)c(O)c(/C(=C/c2ccc(O)c(OC)c2)C(=O)OCC)c1 ZINC000103265897 IH Annotated Anodyne CC[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000103266257 IH Annotated Anodyne CC(C)=CCc1c(O)c(CCC(C)(C)O)cc2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O ZINC000103268569 IH Annotated Anodyne COc1cc(CCN(CCCN(C)C)C(C)=O)c(Br)cc1Br ZINC000103269923 IH Annotated Anodyne CN(C)CCCNCc1c(Br)cc(Br)c(O)c1Br ZINC000103269967 IH Annotated Anodyne O=C1c2cc(OC[C@@H](O)CO)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 ZINC000103271949 IH Annotated Anodyne O=C1c2cc(OC[C@H](O)CO)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 ZINC000103271951 IH Annotated Anodyne Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000103271979 IH Annotated Anodyne CCc1cc(C)cc(CC)c1-c1c(OCOC(=O)C(C)(C)C)n2n(c1=O)CCOCC2 ZINC000103274634 IH Annotated Anodyne N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000103276851 IH Annotated Mild COc1ccc(CN(CCCN2CCOCC2)Cc2ccc(Br)cc2)cc1O ZINC000103277504 IH Annotated Anodyne COCCn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21 ZINC000103279518 IH Annotated Anodyne Cc1cc(N2CCN(c3ccccc3F)CC2)n2c(nc3ccc(C(=O)O)cc32)c1C#N ZINC000103281213 IH Annotated Mild COc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)nc12 ZINC000103282578 IH Annotated Reactive COc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)nc12 ZINC000103282580 IH Annotated Reactive COc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)nc12 ZINC000103282583 IH Annotated Reactive COc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)nc12 ZINC000103282586 IH Annotated Reactive Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000103283931 IH Annotated Reactive O=C1c2ccc(Nc3ccc(F)cc3F)cc2OCc2c(OC[C@@H](O)CO)cccc21 ZINC000103285426 IH Annotated Anodyne O=C1c2ccc(Nc3ccc(F)cc3F)cc2OCc2c(OC[C@H](O)CO)cccc21 ZINC000103285428 IH Annotated Anodyne CC(C)CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CC1 ZINC000103286470 IH Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2c(Cl)c(CC)nn2C)c(C)c1 ZINC000103288625 IH Annotated Anodyne CCCc1nn(C)c(C(=O)N(CCOc2ccc(CCOCC)cc2C)C(C)=O)c1Cl ZINC000103288627 IH Annotated Anodyne CCOCCc1ccc(OCCN(C(=O)CC)C(=O)c2c(Cl)c(C)nn2C)c(C)c1 ZINC000103288633 IH Annotated Anodyne CC1=NN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C(=O)/C1=N/Nc1ccc(F)cc1 ZINC000103291103 IH Annotated Mild COc1cc(C2=CCCCc3c2ccc(OC)c3OP(=O)(O)O)cc(OC)c1OC ZINC000103291484 IH Annotated Anodyne CN(C)C[C@@H](CCSS(=O)(=O)c1ccccc1)SS(=O)(=O)c1ccccc1 ZINC000103292690 IH Annotated Reactive CN(C)C[C@H](CCSS(=O)(=O)c1ccccc1)SS(=O)(=O)c1ccccc1 ZINC000103292692 IH Annotated Reactive O=C1c2ccc(OC[C@@H](O)CO)cc2COc2cc(Nc3ccc(F)cc3F)ccc21 ZINC000103292989 IH Annotated Anodyne O=C1c2ccc(OCC[C@@H](O)CO)cc2COc2cc(Nc3ccc(F)cc3F)ccc21 ZINC000103292992 IH Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2cc(C(C)(C)C)nn2C)c(C)c1 ZINC000103294518 IH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1[C@](O)(C(=O)O)[C@@]1(C)C[C@@]34O[C@@H]3C[C@@H](c3ccoc3)[C@@H]4C[C@@H]12 ZINC000103295050 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1[C@](O)(C(=O)O)[C@@]1(C)C[C@@]34O[C@@H]3C[C@@H](c3ccoc3)[C@H]4C[C@@H]12 ZINC000103295052 IH Annotated Mild CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc([N+](=O)[O-])cc3OC)n2C)cc1 ZINC000103296831 IH Annotated Bother Nc1nccc(-c2cn(CN3C(=O)c4ccccc4C3=O)c3ccc(Br)cc23)n1 ZINC000103297200 IH Annotated Anodyne COc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC)cc3)N2C[C@H](O)CO)cc1 ZINC000103297267 IH Annotated Anodyne CC(C)OC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298535 IH Annotated Anodyne CC(C)OC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298537 IH Annotated Anodyne COc1ccc(CNS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)Nc2ccccc2O3)cc1 ZINC000103299686 IH Annotated Bother O[C@@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103302885 IH Annotated Anodyne O[C@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103302888 IH Annotated Anodyne C[C@@](O)(COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103302896 IH Annotated Anodyne C[C@](O)(COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103302899 IH Annotated Anodyne [O-][n+]1cc(OCCc2ccc(F)c(F)c2)n2c(-c3ccc(OC(F)F)cc3)nnc2c1 ZINC000103302945 IH Annotated Anodyne Fc1ccc(N2CC(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)C2)cc1F ZINC000103302960 IH Annotated Anodyne O=C(NCc1cccc(Cl)c1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103302969 IH Annotated Anodyne Fc1ccc(OC2CN(c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)C2)cc1F ZINC000103302996 IH Annotated Anodyne O=c1[nH]cc(OCCc2ccc(F)c(F)c2)n2c(-c3ccc(OC(F)F)cc3)nnc12 ZINC000103303027 IH Annotated Anodyne Nc1ncc(OCCc2ccc(F)c(F)c2)n2c(-c3ccc(OC(F)F)cc3)nnc12 ZINC000103303073 IH Annotated Anodyne O=C(NCc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1cccc(Cl)c1 ZINC000103303099 IH Annotated Anodyne CC1(C)CC(=O)C2=C(C1)NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1 ZINC000103303172 IH Annotated Mild CC1(C)CCC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303175 IH Annotated Mild O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1CCc2cc(F)ccc21 ZINC000103303343 IH Annotated Anodyne OC[C@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303359 IH Annotated Anodyne OC[C@@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303362 IH Annotated Anodyne N[C@@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303377 IH Annotated Anodyne OC[C@H](Nc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303378 IH Annotated Anodyne O=C1CCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCCS1(=O)=O)N2 ZINC000103303499 IH Annotated Mild O=C1CCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCCS1(=O)=O)N2 ZINC000103303502 IH Annotated Mild CC1(C)CCC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303545 IH Annotated Mild CC1(C)CC(=O)C2=C(C1)NC1=C([C@@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1 ZINC000103303559 IH Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303639 IH Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000103303696 IH Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000103303698 IH Annotated Mild C=C(C1CCCCC1)[C@]12CC#C[C@H](NC(=N)NC)C[C@]3(O)CC[C@@H]([C@@H]3C1)[C@](C)(O)CC2 ZINC000103525346 IH Annotated Mild in-vitro biogenic COCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C(C)C)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103529184 IH Annotated Anodyne COCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C(C)C)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103529191 IH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(CSc2nnnn2C)cs1 ZINC000103530706 IH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(CSc2nnnn2C)cs1 ZINC000103530711 IH Annotated Mild CC[C@H](NC(=O)C1CCC(C/N=c2/c(N3CCCCC3)c(O)c2=O)CC1)c1cccs1 ZINC000103533709 IH Annotated Anodyne CC[C@@H](NC(=O)C1CCC(C/N=c2/c(N3CCCCC3)c(O)c2=O)CC1)c1cccs1 ZINC000103533719 IH Annotated Anodyne N=C(N)[C@@H]1C=C(Cn2c(C(=O)OC[C@@H]3CCC[C@H](C(=N)N)C3)cc3ccccc32)C=CC1 ZINC000103535783 IH Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)NCCCN(Cc1ccco1)C1CCCC1 ZINC000103535941 IH Annotated Anodyne CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)Cn2ncc3c4ccccc4nc-3c2O)o1 ZINC000103536198 IH Annotated Anodyne CC[C@H]1CCCCN1Cc1ccc(CNC(=O)Cn2ncc3c4ccccc4nc-3c2O)o1 ZINC000103536205 IH Annotated Anodyne CCOc1ccc(-c2cc(NC(=O)Cn3ncc4c5ccccc5nc-4c3O)on2)cc1 ZINC000103536373 IH Annotated Anodyne CCOc1ccc(CCNC(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)cc1OCC ZINC000103536819 IH Annotated Anodyne O=C1N2C=C(c3ccc(O)cc3)N[C@H](CC3CCCC3)C2=N[C@@]1(Cc1ccc(O)cc1)OO ZINC000103537796 IH Annotated Reactive in-vitro O=C1N2C=C(c3ccc(O)cc3)N[C@@H](CC3CCCC3)C2=N[C@@]1(Cc1ccc(O)cc1)OO ZINC000103537804 IH Annotated Reactive in-vitro O=C(CSc1nc2nncc-2c(O)n1-c1ccc(Cl)cc1)NCc1cccs1 ZINC000103538151 IH Annotated Anodyne CC(C)CC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=O)CC1 ZINC000103540511 IH Annotated Mild CCCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O ZINC000103547046 IH Annotated Mild in-vitro biogenic CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1OC ZINC000103559021 IH Annotated Mild in-vitro biogenic Cc1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c(C(=O)C(C)C)c1O ZINC000103568094 IH Annotated Mild in-vitro biogenic CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(O)oc4ccccc4c3=O)cc2c1C ZINC000103568167 IH Annotated Anodyne CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2[C@H](O)C(=O)/C(CO)=C\C1 ZINC000103571633 IH Annotated Mild in-vitro biogenic CCNC[C@@](O)(CCCCC[C@@H]1CC[C@H]2[C@@H]3CC[C@@H](O)[C@H](C)N3C=C[C@@H]2C1)CC(=O)O ZINC000103573074 IH Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@H]2CC[C@@H]3[C@H]4C=C[C@](CC2)([C@@H]2C(=C4)O/C(=C4/OC(=O)C(C)=C4OC)[C@H]2C)N13 ZINC000103573487 IH Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@@]34[C@@H](O)CCC(C)(C)[C@]13C=CO[C@@]42CCC1=CC(=O)OC1 ZINC000103573774 IH Annotated Anodyne in-vitro biogenic CCCC(=O)C1=C(O)[C@H](C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)[C@H]1O ZINC000103580759 IH Annotated Mild in-vitro biogenic CCc1ccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nc3nnc(C)c-3c2N)cc1 ZINC000103623438 IH Annotated Anodyne CCc1ccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc3nnc(C)c-3c2N)cc1 ZINC000103623441 IH Annotated Anodyne CCc1ccc(-n2c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nc3nnc(C)c-3c2N)cc1 ZINC000103623445 IH Annotated Anodyne Cc1ccc(Cl)cc1-n1c(SCC(=O)NCc2ccco2)nc2nnc(C)c-2c1N ZINC000103623495 IH Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103634126 IH Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103634133 IH Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1cccc(Cl)c1)C1=C(O)c3ccccc3C1=N2 ZINC000103639778 IH Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1cccc(Cl)c1)C1=C(O)c3ccccc3C1=N2 ZINC000103639786 IH Annotated Anodyne CCCCn1c2c(c(O)nc1=O)[C@H](c1ccc(Br)cc1)C1=C(O)OCC1=N2 ZINC000103644715 IH Annotated Anodyne CCCCn1c2c(c(O)nc1=O)[C@@H](c1ccc(Br)cc1)C1=C(O)OCC1=N2 ZINC000103644720 IH Annotated Anodyne C=C(C)COC1=CC(=O)/C(=C2/N=C(N)NC(C(F)(F)F)=C2c2ccc(OC)cc2)C=C1 ZINC000103657745 IH Annotated Mild CC(C)n1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000103687537 IH Annotated Reactive CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(=O)n2[nH]1 ZINC000103695897 IH Annotated Anodyne CCN(CC)C(=O)CSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccc(C)cc1 ZINC000103717101 IH Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2C)cc1OC ZINC000103723244 IH Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2C)cc1OC ZINC000103723249 IH Annotated Mild COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000103740498 IH Annotated Mild COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000103740502 IH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103756597 IH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103756600 IH Annotated Mild CC1=Nc2ccccc2/C1=C/NNc1nc(Nc2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000103765225 IH Annotated Anodyne O=C(CSc1nc2n(-c3cccc(Cl)c3)[nH]cc-2c(=O)n1)NCCC1=CCCCC1 ZINC000103780517 IH Annotated Anodyne C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccco2)cc1 ZINC000103805809 IH Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccco2)cc1 ZINC000103805815 IH Annotated Mild COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000103815565 IH Annotated Anodyne CCSc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CC)s1 ZINC000103867803 IH Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000103876341 IH Annotated Anodyne CC1=Nc2ccccc2/C1=C/NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000103916700 IH Annotated Anodyne COC1=CC(=O)/C(=C2\C[C@H](c3ccc(OC)c(OC)c3)N(C(=O)c3ccccc3)N2)C=C1 ZINC000103917605 IH Annotated Mild COC1=CC(=O)/C(=C2\C[C@@H](c3ccc(OC)c(OC)c3)N(C(=O)c3ccccc3)N2)C=C1 ZINC000103917611 IH Annotated Mild Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C2=C/C(=C3/C=CC=CC3=O)NN2)cc1 ZINC000103918060 IH Annotated Mild COc1ccc(NC(=O)C2=CC3=N[C@H](c4ccc(OC)cc4)C[C@H](C(F)(F)F)N3N2)cc1 ZINC000103919221 IH Annotated Anodyne COc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccc(OC)cc4)C[C@H](C(F)(F)F)N3N2)cc1 ZINC000103919224 IH Annotated Anodyne COc1ccc(NC(=O)C2=CC3=N[C@H](c4ccc(OC)cc4)C[C@@H](C(F)(F)F)N3N2)cc1 ZINC000103919232 IH Annotated Anodyne COc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccc(OC)cc4)C[C@@H](C(F)(F)F)N3N2)cc1 ZINC000103919236 IH Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccc(OC)cc1)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000103938914 IH Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccc(OC)cc1)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000103938916 IH Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(c6ccccc6F)CC5)[C@H]4C[C@@]13O2 ZINC000103946184 IH Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]132 ZINC000103949376 IH Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3[C@H]3O[C@@]132 ZINC000103949382 IH Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc(OC)c1OC ZINC000103961997 IH Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc(OC)c1OC ZINC000103961999 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(C(=O)/N=N/c3c(O)[nH]c4ccccc34)CC2)cc1 ZINC000103969917 IH Annotated Clean COc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000103974576 IH Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000103974580 IH Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)NCc1ccco1 ZINC000103976085 IH Annotated Anodyne CCc1ccccc1-n1c(SCc2cc(=O)n3c(C)cccc3n2)nc2nncc-2c1O ZINC000103976112 IH Annotated Anodyne CCc1ccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3nncc-3c2O)cc1 ZINC000103976794 IH Annotated Anodyne CC(C)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000104001228 IH Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000104010761 IH Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000104010765 IH Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000104010773 IH Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000104010781 IH Annotated Mild C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=C(Br)C=CC1=O ZINC000104013963 IH Annotated Mild COc1cc([C@@H]2SCC(=O)N=C3C2=C(C)NN3c2ccccc2)cc(OC)c1OC ZINC000104014575 IH Annotated Anodyne COc1cc([C@H]2SCC(=O)N=C3C2=C(C)NN3c2ccccc2)cc(OC)c1OC ZINC000104014581 IH Annotated Anodyne O=C1C=CC(=C2NN=C(SCC(=O)CC(=O)Nc3ccccc3)N2c2ccccc2)C=C1 ZINC000104023099 IH Annotated Mild N#Cc1ccccc1NC(=O)CSC1=NN/C(=C2/C=CC=CC2=O)N1c1ccccc1 ZINC000104023375 IH Annotated Mild CN1C(SCC(=O)N2c3ccccc3CCc3ccccc32)=NNC1=C1C=CC(=O)C=C1 ZINC000104024862 IH Annotated Mild Cc1ccc(N2C(SCc3nc(=O)c4ccccc4[nH]3)=NN/C2=C2/C=CC=CC2=O)cc1 ZINC000104024867 IH Annotated Mild O=C(CSC1=NN/C(=C2/C=CC=CC2=O)O1)Oc1ccc(OCc2ccccc2)cc1 ZINC000104024877 IH Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1 ZINC000104028852 IH Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1 ZINC000104028858 IH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000104030028 IH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000104030032 IH Annotated Mild O=C(Nc1ccc2c(c1)OCO2)C1=CC2=N[C@@H](c3ccccc3)C[C@@H](C(F)(F)F)N2N1 ZINC000104030425 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=CC2=N[C@H](c3ccccc3)C[C@@H](C(F)(F)F)N2N1 ZINC000104030429 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=CC2=N[C@@H](c3ccccc3)C[C@H](C(F)(F)F)N2N1 ZINC000104030434 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=CC2=N[C@H](c3ccccc3)C[C@H](C(F)(F)F)N2N1 ZINC000104030439 IH Annotated Anodyne C[C@H]1Oc2ccccc2C=C1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCCN(C)C ZINC000104036088 IH Annotated Mild C[C@@H]1Oc2ccccc2C=C1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCCN(C)C ZINC000104036092 IH Annotated Mild C[C@H]1Oc2ccccc2C=C1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCCN(C)C ZINC000104036096 IH Annotated Mild C[C@@H]1Oc2ccccc2C=C1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCCN(C)C ZINC000104036100 IH Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104046348 IH Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104046354 IH Annotated Mild COC(=O)COc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)cc1OC ZINC000104093162 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)cc1OC ZINC000104093166 IH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104111162 IH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104111168 IH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104111169 IH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104111176 IH 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)cc1 ZINC000104113146 IH 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)cc1 ZINC000104113151 IH 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)cc1 ZINC000104113157 IH 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)cc1 ZINC000104113162 IH Annotated Mild CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000104116034 IH Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000104116038 IH Annotated Anodyne O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000104148554 IH Annotated Anodyne COc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc(OC)c1OC ZINC000104188003 IH Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc(OC)c1OC ZINC000104188008 IH Annotated Mild CCc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccc(Br)cc1)N=2 ZINC000104233110 IH Annotated Bother COc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)ccc1OC(C)=O ZINC000104281799 IH Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)ccc1OC(C)=O ZINC000104281804 IH Annotated Mild CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c(C)c1c32 ZINC000104370273 IH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)s1 ZINC000104384579 IH Annotated Mild Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)s1 ZINC000104384585 IH Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000104398656 IH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000104398658 IH Annotated Anodyne CCOc1ccccc1CN1CCN(Cc2ccc3cccc(OC)c3n2)C[C@H]1CCO ZINC000104479782 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(/N=C/c2c(C)nn(-c3ccc(C)cc3)c2O)cc1 ZINC000104696226 IH Annotated Mild Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000104696470 IH Annotated Mild Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(C(=O)c4ccccc4)CC3)=C(O)C2)cc1 ZINC000104697174 IH Annotated Mild CCN(CC)S(=O)(=O)c1ccc(/N=C/c2c(C)nn(-c3ccc(F)cc3)c2O)cc1 ZINC000104700898 IH Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)CCO)n2)cc1 ZINC000104927811 IH Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)CCO)n2)cc1 ZINC000104927815 IH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105174819 IH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105174825 IH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177918 IH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177920 IH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105185477 IH Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105185484 IH Annotated Mild CC(C)(O)[C@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000105512371 IH Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H]13)[C@]2(C)O ZINC000106392954 IH Annotated Anodyne O=C(NC1CCCCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000107369318 IH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000108417101 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000108647559 IH Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827002 IH Annotated Mild C=CCOc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827005 IH Annotated Mild C=CCOc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827009 IH Annotated Mild C=CCOc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827012 IH Annotated Mild Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@@H]1CCCN1CC2 ZINC000113109400 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CCCN1CC2 ZINC000113109403 IH Annotated Anodyne N#Cc1cc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)ccc1F ZINC000113202682 IH Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)nc4)cc23)CC1 ZINC000113207252 IH Annotated Anodyne Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)C[C@@H]3CCC[C@@H]5N3)c(=O)c2)cn1 ZINC000113219023 IH Annotated Anodyne Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)C[C@@H]3CCC[C@H]5N3)c(=O)c2)cn1 ZINC000113219025 IH Annotated Anodyne Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)C[C@H]3CCC[C@@H]5N3)c(=O)c2)cn1 ZINC000113219026 IH Annotated Anodyne Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)C[C@H]3CCC[C@H]5N3)c(=O)c2)cn1 ZINC000113219028 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113222424 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113222427 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 ZINC000113222429 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 ZINC000113222431 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@@H]1CCC[C@@H](C2)N1 ZINC000113222818 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CCC[C@@H](C2)N1 ZINC000113222820 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@@H]1CCC[C@H](C2)N1 ZINC000113222821 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CCC[C@H](C2)N1 ZINC000113222823 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)[C@@H]1CCC[C@@H](C2)N1 ZINC000113224339 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)[C@H]1CCC[C@@H](C2)N1 ZINC000113224340 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)[C@@H]1CCC[C@H](C2)N1 ZINC000113224342 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)[C@H]1CCC[C@H](C2)N1 ZINC000113224344 IH Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N(C)CC(=O)OC(C)(C)C)c2)cc1 ZINC000113409210 IH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N(C)CC(=O)OC(C)(C)C)c2)cc1 ZINC000113409212 IH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000113413999 IH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000113414002 IH Annotated Mild Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2n1 ZINC000113421161 IH Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCCCC3)nc2n1 ZINC000113421753 IH Annotated Anodyne NC1(c2ccc(-c3nc4ccc(C(=O)NCCO)cn4c3-c3ccccc3)cc2)CCC1 ZINC000113656290 IH Annotated Anodyne COc1cc(-c2cnc3ccc(N4C(=O)OC[C@H]4Cc4ccccc4)cn23)cnc1OC ZINC000113760053 IH Annotated Anodyne COc1cc(-c2cnc3ccc(N4C(=O)OC[C@@H]4Cc4ccccc4)cn23)cnc1OC ZINC000113764753 IH Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@H](CCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113822428 IH Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@@H](CCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113822606 IH Annotated Anodyne CCCC[C@H]1[C@@H](/C=C/[C@@H](CCC(=O)OC)OC(C)=O)[C@]23C(=O)C=C[C@@]2(OC(C)=O)CC[C@H]13 ZINC000114117028 IH Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cccnc3n2C2CCC2)nc1)C(F)(F)F ZINC000114157634 IH Annotated Anodyne CC(C)c1cccc([C@@H]2C[C@H](NC(=O)c3ccccc3)CN(C(=O)N3CCOCC3)C2)c1 ZINC000114340407 IH Annotated Anodyne CC(C)c1cccc([C@H]2C[C@H](NC(=O)c3ccccc3)CN(C(=O)N3CCOCC3)C2)c1 ZINC000114340409 IH Annotated Anodyne CC(C)c1cccc([C@@H]2C[C@@H](NC(=O)c3ccccc3)CN(C(=O)N3CCOCC3)C2)c1 ZINC000114340411 IH Annotated Anodyne CC(C)c1cccc([C@H]2C[C@@H](NC(=O)c3ccccc3)CN(C(=O)N3CCOCC3)C2)c1 ZINC000114340414 IH Annotated Anodyne Cc1ncc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1 ZINC000114345256 IH Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1ccccc1 ZINC000114345288 IH Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1ccccc1 ZINC000114345289 IH Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114345968 IH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1 ZINC000114347690 IH Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1 ZINC000114347693 IH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)N2CCC(F)(F)C2)c1 ZINC000114347866 IH Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CC2(F)F)c1 ZINC000114349124 IH Annotated Anodyne CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CC2(F)F)c1 ZINC000114349126 IH Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CC2(F)F)c1 ZINC000114349128 IH Annotated Anodyne CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CC2(F)F)c1 ZINC000114349130 IH Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2s1 ZINC000114398992 IH Annotated Anodyne N#Cc1ccc(Oc2ccc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)cc2)c(C(F)(F)F)c1 ZINC000114591503 IH Annotated Anodyne N#Cc1ccc(Oc2ccc(-c3cc([C@H](O)CO)cc(C(N)=O)n3)cc2)c(C(F)(F)F)c1 ZINC000114591505 IH Annotated Anodyne N#Cc1cc(Oc2ccc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)cc2)ccc1C(F)(F)F ZINC000114592533 IH Annotated Anodyne N#Cc1cc(Oc2ccc(-c3cc([C@H](O)CO)cc(C(N)=O)n3)cc2)ccc1C(F)(F)F ZINC000114592535 IH Annotated Anodyne N#Cc1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114593170 IH Annotated Anodyne NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)n1 ZINC000114602333 IH Annotated Anodyne NC(=O)c1cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc([C@@H](O)CO)n1 ZINC000114602515 IH Annotated Anodyne NC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)n1 ZINC000114602951 IH Annotated Anodyne NC(=O)c1cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc([C@H](O)CO)n1 ZINC000114603170 IH Annotated Anodyne NC(=O)c1cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc([C@H](O)CO)n1 ZINC000114603762 IH Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(CC(=O)O)c4ccccc43)C2)cc1 ZINC000114689546 IH Annotated Anodyne O=c1c(N2C[C@@H]3CNC[C@@H]3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114709361 IH Annotated Anodyne O=c1c(N2C[C@H]3CNC[C@@H]3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114709362 IH Annotated Anodyne O=c1c(N2C[C@@H]3CNC[C@H]3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114709364 IH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCNCC4)CC3)cc12 ZINC000114709887 IH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)NCCO)cc3)cc12 ZINC000114710995 IH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N(C)CCO)CC3)cc12 ZINC000114711493 IH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCNC4=O)CC3)cc12 ZINC000114711559 IH Annotated Anodyne NC(=O)CNc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114764121 IH Annotated Anodyne NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114765687 IH Annotated Anodyne CC(=O)Nc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1 ZINC000114773172 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1 ZINC000114773175 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cc1 ZINC000114773431 IH Annotated Anodyne CCCNC(=O)COc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC ZINC000114778429 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)NCC2 ZINC000114977317 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)NCC2 ZINC000114977319 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(F)c3)CCC1)NCC2 ZINC000114978523 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3cccc(F)c3)CCC1)NCC2 ZINC000114978524 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CC1)NCC2 ZINC000114978613 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CC1)NCC2 ZINC000114978616 IH Annotated Anodyne CS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980354 IH Annotated Anodyne CS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980357 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccccc3)CCC1)NCC2 ZINC000114980510 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccccc3)CCC1)NCC2 ZINC000114980513 IH Annotated Anodyne COc1ccc(/C=C/C(=O)c2cc3c(cc2OCCN2CCOCC2)OCS3)cc1F ZINC000114995006 IH Annotated Mild Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccc(C(F)(F)F)cc4)c3C2)nc1 ZINC000114996126 IH Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](CCO)c4ccc(C(F)(F)F)nc4)c3C2)nc1 ZINC000114998328 IH Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](CCO)c4ccc(C(F)(F)F)nc4)c3C2)nc1 ZINC000114998330 IH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(Nc4ccccc4)n[nH]c2-3)C(=O)O1 ZINC000011524630 IH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCc4ccccc4)n[nH]c2-3)C(=O)O1 ZINC000011524634 IH Annotated Anodyne CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000011783969 IH Annotated Anodyne CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000011783970 IH Annotated Anodyne O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2 ZINC000011789146 IH Annotated Anodyne O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2 ZINC000011789147 IH Annotated Anodyne COc1cc(C[C@@]2(CCC(=O)NCc3ccc4ncccc4c3)CCC(=O)N2)ccc1F ZINC000011790796 IH Annotated Anodyne COc1cc(C[C@]2(CCC(=O)NCc3ccc4ncccc4c3)CCC(=O)N2)ccc1F ZINC000011790797 IH Annotated Anodyne COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)Cn1nccc1C)C2 ZINC000011791079 IH Annotated Anodyne CO[C@H](c1ccccc1)c1nnc(CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)o1 ZINC000011815755 IH Annotated Anodyne CO[C@@H](c1ccccc1)c1nnc(CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)o1 ZINC000011815757 IH Annotated Anodyne O=C(c1cn2ccccc2n1)N1CCOc2ccc(CN3CCc4sccc4C3)cc2C1 ZINC000011838569 IH Annotated Anodyne C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)C1=O ZINC000011840993 IH Annotated Mild C=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)C1=O ZINC000011840995 IH Annotated Mild COCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000011844430 IH Annotated Anodyne COc1ccc(CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)c(OC)c1OC ZINC000011880342 IH Annotated Anodyne COc1ccc(CN2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)c(OC)c1OC ZINC000011880343 IH Annotated Anodyne COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)c(OC)c1C ZINC000011882180 IH Annotated Anodyne COc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)c(OC)c1C ZINC000011882181 IH Annotated Anodyne Cc1nc(C)c(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccsc3)C2)s1 ZINC000011909776 IH Annotated Anodyne Cc1nc2ccc(C(=O)N3CCC[C@@](CO)(Cc4ccc(F)cc4F)C3)cc2nc1C ZINC000011933945 IH Annotated Anodyne Cc1nc2ccc(C(=O)N3CCC[C@](CO)(Cc4ccc(F)cc4F)C3)cc2nc1C ZINC000011933946 IH Annotated Anodyne Cc1noc(C)c1CCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000011934725 IH Annotated Anodyne Cc1noc(C)c1CCC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000011934726 IH Annotated Anodyne COc1ccc(C(=O)NC[C@@H]2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)cc1F ZINC000011968439 IH Annotated Anodyne COc1ccc(C(=O)NC[C@H]2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)cc1F ZINC000011968447 IH Annotated Anodyne Cc1nc2ccc(C(=O)NC[C@@H]3CCC4(CCN(Cc5cccnc5)CC4)O3)cc2nc1C ZINC000011995321 IH Annotated Anodyne Cc1nc2ccc(C(=O)NC[C@H]3CCC4(CCN(Cc5cccnc5)CC4)O3)cc2nc1C ZINC000011995322 IH Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc(C)s1)CCO2 ZINC000011995354 IH Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc(C)s1)CCO2 ZINC000011995355 IH Annotated Anodyne CN(Cc1ccon1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000011996270 IH Annotated Anodyne CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1ccoc1)CC2 ZINC000011996344 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CNCCC2 ZINC000115008451 IH Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCCNC3 ZINC000115008724 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCCC2 ZINC000115008943 IH Annotated Anodyne CN1CCCc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)C1 ZINC000115014888 IH Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)nc4=O)cc31)CNCCC2 ZINC000115015644 IH Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nnc[nH]3)c3nccnc23)c1Cl ZINC000115294058 IH Annotated Anodyne CN(CC1CCOCC1)c1cncc(-c2cc(N[C@@H]3CC[C@@H](CN)CC3)ncc2Cl)n1 ZINC000115457032 IH Annotated Anodyne CN(CC1CCOCC1)c1cncc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)n1 ZINC000115457542 IH Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2C)CC1 ZINC000115624669 IH Annotated Anodyne COCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2c(ccn2C)c1 ZINC000115811870 IH Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(F)cc5)nn4C)ccc3[nH]2)n1 ZINC000115832902 IH Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccnc(Cl)c5)nn4C)ccc3[nH]2)n1 ZINC000115833539 IH Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C#N)cc5)nn4C)ccc3[nH]2)n1 ZINC000115835918 IH Annotated Mild COCCN1C[C@H](C(C)C)N(c2ccn3ncc(-c4ccc(-c5ncc[nH]5)cc4)c3n2)C1=O ZINC000116185334 IH Annotated Anodyne O=C1OC[C@H](C2CCCC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186172 IH Annotated Anodyne O=C1OC[C@H](Cc2ccccc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116187233 IH Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nccc(-c4cn[nH]c4)n3)C[C@@H]2C1 ZINC000116822118 IH Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nccc(-c4cn[nH]c4)n3)C[C@@H]2C1 ZINC000116822120 IH Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nccc(-c4cn[nH]c4)n3)C[C@H]2C1 ZINC000116822121 IH Annotated Anodyne Cc1cccc(-c2cc(F)ccc2C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)n1 ZINC000116823772 IH Annotated Anodyne Cc1cccc(-c2cc(F)ccc2C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)n1 ZINC000116823774 IH Annotated Anodyne Cc1cccc(-c2cc(F)ccc2C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)n1 ZINC000116823776 IH Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(OC)cc5s4)C[C@H]3C2)c(OC)c1 ZINC000116826582 IH Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccc(OC)cc5s4)C[C@H]3C2)c(OC)c1 ZINC000116826584 IH Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(OC)cc5s4)C[C@@H]3C2)c(OC)c1 ZINC000116826586 IH Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)C[C@H]3C2)nc(C)n1 ZINC000116828010 IH Annotated Anodyne Cc1cc(N2C[C@@H]3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)C[C@H]3C2)nc(C)n1 ZINC000116828012 IH Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)C[C@@H]3C2)nc(C)n1 ZINC000116828014 IH Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(F)cc5s4)C[C@H]3C2)c(OC)c1 ZINC000116828486 IH Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(F)cc5s4)C[C@@H]3C2)c(OC)c1 ZINC000116828488 IH Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccc(F)cc5s4)C[C@H]3C2)c(OC)c1 ZINC000116828490 IH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3CN(c4nccc(-c5ccccc5)n4)[C@@H]3C2)c1 ZINC000116828630 IH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3CN(c4nccc(-c5ccccc5)n4)[C@@H]3C2)c1 ZINC000116828632 IH Annotated Anodyne N[C@@H]1CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CC[C@@H]1O ZINC000116904042 IH Annotated Anodyne N[C@@H]1CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CC[C@H]1O ZINC000116904103 IH Annotated Anodyne N[C@@H]1C[C@@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904313 IH Annotated Anodyne N[C@H]1C[C@@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904315 IH Annotated Anodyne N[C@H]1C[C@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904317 IH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@@H](C)c3c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c(C)c1c32 ZINC000117448700 IH Annotated Anodyne COc1ccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cn1 ZINC000117511300 IH Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cn1 ZINC000117511303 IH Annotated Anodyne Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1 ZINC000117512759 IH Annotated Anodyne COc1ccnc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)c1 ZINC000117513333 IH Annotated Anodyne COc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1 ZINC000117513780 IH Annotated Anodyne Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N(C)C)n1 ZINC000117604519 IH Annotated Anodyne COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCCC3)c12 ZINC000117804942 IH Annotated Bother CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(F)ccn34)c12 ZINC000117879549 IH Annotated Anodyne CCc1nn(Cc2cccc(=O)n2CC)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117883861 IH Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CCOCC1 ZINC000118389282 IH Annotated Anodyne COC1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)C1 ZINC000118401192 IH Annotated Anodyne COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 ZINC000118545246 IH Annotated Mild COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12 ZINC000118557953 IH Annotated Anodyne CC1(C)CC(n2ncc(NCCN3CCOCC3)c(Br)c2=O)CC(C)(C)C1 ZINC000118637492 IH Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OC[C@@H](C)F)c12 ZINC000118820776 IH Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OC[C@H](C)F)c12 ZINC000118820778 IH Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(OC3CCOCC3)n2n1 ZINC000118826741 IH Annotated Anodyne Cc1nc(C)c(-c2cc3nc(N4CCCC4)cc(NCC(C)(C)O)n3n2)nc1CC(C)C ZINC000118828759 IH Annotated Anodyne Cc1c(C(=O)N[C@@H]2CC[C@@H](O)CC2)sc2ncnc(Nc3cccnc3OC(C)C)c12 ZINC000118885016 IH Annotated Anodyne CCCc1cnc(C)c(-c2cc3nc(N4CCCC4)cc(N(C)C4CCOCC4)n3n2)n1 ZINC000118899008 IH Annotated Anodyne Cc1nc(C)c(C2CC2)nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 ZINC000118908544 IH Annotated Anodyne CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@]13CO[C@@H]2C3 ZINC000118930280 IH Annotated Mild C[C@H]([C@@H]1NC[C@H](C)C[C@@H]1O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930761 IH Annotated Anodyne C[C@H]([C@@H]1NC[C@H](C)C[C@H]1O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930763 IH Annotated Anodyne C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000118937046 IH Annotated Anodyne in-man endogenous C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000118937047 IH Annotated Anodyne in-man endogenous C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000118937048 IH Annotated Anodyne in-man endogenous C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000118937049 IH Annotated Anodyne in-man endogenous C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000119263778 IH Annotated Anodyne in-man C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000119263906 IH Annotated Anodyne in-man C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000119264008 IH Annotated Anodyne in-man C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@](C)(O)CO2 ZINC000119264126 IH Annotated Anodyne in-man Cc1nc(C)n(CC(=O)NC[C@@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)n1 ZINC000012021348 IH Annotated Anodyne Cc1nc(C)n(CC(=O)NC[C@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)n1 ZINC000012021354 IH Annotated Anodyne C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2cccn2-c2cccnc2)CCO3)C[C@@H](C)O1 ZINC000012023098 IH Annotated Anodyne COC[C@@H](C)NCc1cc2ccc(OC)cc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000012026074 IH Annotated Anodyne COC[C@H](C)NCc1cc2ccc(OC)cc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000012026079 IH Annotated Anodyne CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CC(=O)c4ccccc42)C3)n1 ZINC000012026899 IH Annotated Anodyne CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CC(=O)c4ccccc42)C3)n1 ZINC000012026906 IH Annotated Anodyne CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CC(=O)c4ccccc42)C3)n1 ZINC000012026912 IH Annotated Anodyne CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2CC(=O)c4ccccc42)C3)n1 ZINC000012026918 IH Annotated Anodyne COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cn4ccc(C)cc4n2)CCO3)C1 ZINC000012030393 IH Annotated Anodyne COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cn4ccc(C)cc4n2)CCO3)C1 ZINC000012030395 IH Annotated Anodyne Cc1nn(C)cc1CNc1nc(C)c(-c2ccn(C[C@@H]3COc4ccccc4O3)n2)s1 ZINC000012030560 IH Annotated Anodyne Cc1nn(C)cc1CNc1nc(C)c(-c2ccn(C[C@H]3COc4ccccc4O3)n2)s1 ZINC000012030567 IH Annotated Anodyne Cc1nc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3cccs3)C2)cs1 ZINC000012031757 IH Annotated Anodyne CCN1CCN(C(=O)c2ccc(N3CCC(NCc4cc5ccccc5[nH]4)CC3)cc2)CC1 ZINC000012035113 IH Annotated Anodyne COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)C1CCCC1)CC2 ZINC000012037627 IH Annotated Anodyne Cc1nn(C)cc1CN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012049323 IH Annotated Anodyne O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCCCCCC1 ZINC000012049589 IH Annotated Anodyne O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCCCCCC1 ZINC000012049593 IH Annotated Anodyne CC1(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)CCCCC1 ZINC000012053630 IH Annotated Anodyne CC1(C(=O)N2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)CCCCC1 ZINC000012053633 IH Annotated Anodyne C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2coc4ccccc4c2=O)CCO3)C[C@@H](C)O1 ZINC000012079006 IH Annotated Anodyne COc1cc(CNCc2cc3ccc(F)cc3nc2N2CCOCC2)cc(OC)c1OC ZINC000012079258 IH Annotated Anodyne Cc1cc(C)n2cc(CNC(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)nc2c1 ZINC000012099041 IH Annotated Anodyne Cc1cc(C)n2cc(CNC(=O)CC[C@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)nc2c1 ZINC000012099042 IH Annotated Anodyne O=C(Nc1cccc(N2CCNC2=O)c1)[C@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000012100369 IH Annotated Anodyne O=C(Nc1cccc(N2CCNC2=O)c1)[C@@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000012100371 IH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)NCc2nc(N3CCCC3)c3cc(Cl)ccc3n2)c1 ZINC000012125338 IH Annotated Anodyne Cc1c(C(=O)NCC2(c3ccccc3)CCOCC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000012126680 IH Annotated Anodyne Clc1ccc(-n2cccc2CN2CCOc3ccc(CN4CCOCC4)cc3C2)nc1 ZINC000012127323 IH Annotated Anodyne Cc1nc(NCc2cnn(C)c2C)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 ZINC000012129859 IH Annotated Anodyne Cc1nc(NCc2cnn(C)c2C)sc1-c1ccn(C[C@H]2COc3ccccc3O2)n1 ZINC000012129866 IH Annotated Anodyne Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1c(C)noc1C)C2 ZINC000012130391 IH Annotated Anodyne CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)cc1 ZINC000012130402 IH Annotated Anodyne CN(C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1)[C@@H]1CCOC1 ZINC000012131497 IH Annotated Anodyne CN(C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1)[C@H]1CCOC1 ZINC000012131503 IH Annotated Anodyne Cc1ccc(CNC2CCN(c3ccc(C(=O)N4CCC[C@@H](CO)C4)cc3)CC2)cc1F ZINC000012158365 IH Annotated Anodyne Cc1ccc(CNC2CCN(c3ccc(C(=O)N4CCC[C@H](CO)C4)cc3)CC2)cc1F ZINC000012158368 IH Annotated Anodyne COc1cccc2c1OCCCN(C(=O)CC[C@@]1(Cc3ccsc3)CCC(=O)N1)C2 ZINC000012191338 IH Annotated Anodyne COc1cccc2c1OCCCN(C(=O)CC[C@]1(Cc3ccsc3)CCC(=O)N1)C2 ZINC000012191339 IH Annotated Anodyne Cc1ccc(C[C@@]2(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)CCC(=O)N2)cc1 ZINC000012218448 IH Annotated Anodyne Cc1ccc(C[C@]2(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)CCC(=O)N2)cc1 ZINC000012218449 IH Annotated Anodyne COc1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)cc1C ZINC000012242048 IH Annotated Anodyne COCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 ZINC000012297459 IH Annotated Anodyne COCc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 ZINC000012297460 IH Annotated Anodyne CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2nccn2-c2ccc(OC)cc2)CC1 ZINC000012307119 IH Annotated Anodyne CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2nccn2-c2ccc(OC)cc2)CC1 ZINC000012307120 IH Annotated Anodyne COc1ccnc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000012317426 IH Annotated Anodyne COc1ccnc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000012317427 IH Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1 ZINC000012319781 IH Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1 ZINC000012319782 IH Annotated Anodyne Cc1ccc(S(=O)(=O)CC(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000012342326 IH Annotated Anodyne CC(=O)c1c(-c2ccccc2)nn(CC(=O)O)c(=O)c1Nc1ccc(Br)cc1 ZINC000012343982 IH Annotated Anodyne Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(C)c2=O)cc1C ZINC000012358352 IH Annotated Anodyne CC(C)(O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358408 IH Annotated Anodyne CC(C)(O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358409 IH Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCCO)C1=O ZINC000012358412 IH Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCCO)C1=O ZINC000012358413 IH Annotated Anodyne CC(=O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358418 IH Annotated Anodyne CC(=O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358419 IH Annotated Anodyne C/C(CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21)=N\O ZINC000012358422 IH Annotated Mild C/C(CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21)=N\O ZINC000012358423 IH Annotated Mild O=[N+]([O-])c1ccc(N/N=C\Cc2nnnn2-c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000012367636 IH Annotated Mild O=[N+]([O-])c1ccc(C2=NN(CCO)C(=Nc3ccc(OC(F)(F)F)cc3)SC2)cc1 ZINC000012368773 IH Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1C ZINC000012407233 IH Annotated Anodyne Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccc5nonc5c4)CC3)cc2)n1 ZINC000012458725 IH Annotated Anodyne CCOC(=O)C[C@H]1c2ccc(C(F)(F)F)cc2S(=O)(=O)N1c1cccc(OC)c1 ZINC000012478484 IH Annotated Anodyne COC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1c1ccc(N(C)C)cc1 ZINC000012478575 IH Annotated Anodyne COC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1Cc1ccc(OC)cc1 ZINC000012479288 IH Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000012479480 IH Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000012479577 IH Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000012479596 IH Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000012479714 IH Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1 ZINC000012482146 IH Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000012482278 IH Annotated Mild Cc1ccc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3CCOCCO)n2)cc1 ZINC000012489888 IH Annotated Anodyne Cc1ccc(-c2csc(N[C@H](CO)c3nc4ccccc4n3CCOCCO)n2)cc1 ZINC000012489894 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000012509969 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000012509984 IH Annotated Anodyne CC(C)Cn1c(-c2cc(Br)ccc2F)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000012537758 IH Annotated Anodyne CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2scc3c2OCCO3)CC1 ZINC000012592346 IH Annotated Anodyne COc1ccc(Cc2noc(CN3CCC[C@@H](C(=O)c4cccs4)C3)n2)cc1OC ZINC000012708228 IH Annotated Anodyne COc1ccc(Cc2noc(CN3CCC[C@H](C(=O)c4cccs4)C3)n2)cc1OC ZINC000012708235 IH Annotated Anodyne COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000012711767 IH Annotated Anodyne O=C(NCc1ccco1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccnc2)=NO1 ZINC000012725658 IH Annotated Anodyne O=C(NCc1ccco1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccnc2)=NO1 ZINC000012725661 IH Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 ZINC000012726360 IH Annotated Mild in-vitro CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(C)cc3)C(=O)[C@@]21CC ZINC000012726465 IH Annotated Anodyne Cc1nc(CC(=O)N2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cs1 ZINC000012760062 IH Annotated Anodyne Cc1nc(CC(=O)N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cs1 ZINC000012760067 IH Annotated Anodyne COCc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)o1 ZINC000012764030 IH Annotated Anodyne COCc1ccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)o1 ZINC000012764036 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12 ZINC000012868156 IH Annotated Mild Cc1cccc(CCN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000012872788 IH Annotated Anodyne Cc1cccc(CCN(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000012872794 IH Annotated Anodyne CCOc1cc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCCC3)s2)ccc1OC ZINC000012997312 IH Annotated Anodyne Cc1noc(C)c1CSCC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013006942 IH Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)c2c(O)n(CCC(C)C)c3ccccc3c2=O)n1 ZINC000013108938 IH Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013118553 IH Annotated Mild CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](c2ccccc2)[C@H]1CCCO ZINC000013118557 IH Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118561 IH Annotated Mild O=C(NCc1ccccc1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000013118568 IH Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118573 IH Annotated Mild CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccccc2)[C@@H]1CCCO ZINC000013118599 IH Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013118614 IH Annotated Anodyne COC1=C/C(=C/NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)C=CC1=O ZINC000013119210 IH Annotated Reactive O=C1C=C/C(=C\NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C(O)=C1 ZINC000013119274 IH Annotated Reactive CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013120951 IH Annotated Anodyne CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013120952 IH Annotated Anodyne CCOC(=O)c1ccccc1-n1c(C)cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c1C ZINC000013122293 IH Annotated Clean CCOC(=O)c1ccccc1-n1c(C)cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c1C ZINC000013122294 IH Annotated Clean O=C1C([N+](=O)[O-])=CC=C/C1=C\Nn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000013122974 IH Annotated Mild COC1=C/C(=C/c2c(-c3ccccc3)[nH]n(-c3ccc(NC(C)=O)cc3)c2=O)C=CC1=O ZINC000013124820 IH Annotated Mild O=C(N/C(=C\C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000013124831 IH Annotated Anodyne N=C1C(=C2N=c3ccccc3=N2)C=C(C(=O)c2cccs2)NN1c1ccc(Cl)cc1 ZINC000013125987 IH Annotated Mild O=C(O)c1ccc(NC2=C/C(=N\S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 ZINC000013139753 IH Annotated Mild CN1C[C@@H](c2ccc(C#N)cc2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013142072 IH Annotated Mild Cc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2COCCO2)c1 ZINC000013150737 IH Annotated Anodyne CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000013151420 IH Annotated Clean CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000013151421 IH Annotated Clean CC1(C)CCc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c3c(c2O1)OC(C)(C)[C@H](O)C3 ZINC000013303775 IH Annotated Anodyne CC1(C)CCc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c3c(c2O1)OC(C)(C)[C@@H](O)C3 ZINC000013303778 IH Annotated Anodyne CC1(C)CCc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c3c(c2O1)OC(C)(C)[C@H](O)C3 ZINC000013303781 IH Annotated Anodyne CC1(C)CCc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c3c(c2O1)OC(C)(C)[C@@H](O)C3 ZINC000013303784 IH Annotated Anodyne CN[C@@H](CC(C)C)C(=O)NCCc1c(Br)[nH]c2ccc(Br)cc12 ZINC000013312242 IH Annotated Anodyne COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O ZINC000013340621 IH Annotated Clean in-man biogenic COc1cc(CC[C@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O ZINC000013340622 IH Annotated Clean in-man COc1cc(CC[C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O ZINC000013340624 IH Annotated Clean in-man endogenous COc1cc(CC[C@@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O ZINC000013340626 IH Annotated Clean in-man endogenous COc1cc2c(c3c1C[C@@]1(O3)[C@H](C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]31C)CN(CCO)C2=O ZINC000013367907 IH Annotated Anodyne CC(=O)O[C@H]1/C(C)=C\C[C@@H]2C(C(C)C)=CC(=O)O[C@]2(C)CC/C(C)=C2/OC(=O)C[C@@]21O ZINC000013374190 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374486 IH Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374487 IH Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374488 IH Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374489 IH Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374494 IH Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374496 IH Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374497 IH Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 ZINC000013374500 IH Annotated Anodyne in-man CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O)=C3C2=CO1 ZINC000013385321 IH Annotated Mild CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@@H](C(=O)[C@@H](C)[C@@H](C)O)[C@@H]3C2=CO1 ZINC000013385325 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@@H](C(=O)[C@@H](C)[C@@H](C)O)[C@@H]3C2=CO1 ZINC000013385326 IH Annotated Mild CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@@H](C(=O)[C@@H](C)[C@@H](C)O)[C@@H]3C2=CO1 ZINC000013385327 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@@H](C(=O)[C@@H](C)[C@@H](C)O)[C@@H]3C2=CO1 ZINC000013385328 IH Annotated Mild CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)O2)C[C@H]1[C@]1(C)C=CC(=O)O1 ZINC000013403983 IH Annotated Anodyne CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000013403987 IH Annotated Anodyne CNCCc1c(Br)c(Br)c(Br)c(OC)c1OC ZINC000013407422 IH Annotated Anodyne O=C(O)CCn1ccc2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)ccc21 ZINC000013440611 IH Annotated Anodyne NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCP(=O)(O)O)cc12 ZINC000013445969 IH Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCC2 ZINC000013447889 IH Annotated Anodyne COc1cnc(C[S@@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)cc1OC ZINC000013452043 IH Annotated Anodyne COc1cnc(C[S@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)cc1OC ZINC000013452047 IH Annotated Anodyne CN(C)Cc1ccc(CSCC/N=C/NCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452532 IH Annotated Mild COc1cc(C(c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1OC ZINC000013462854 IH Annotated Anodyne NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(I)c23)cc1 ZINC000013470431 IH Annotated Clean O=C1C(C2=N[C@@H](c3ccccn3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000013470698 IH Annotated Mild CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3ccc(OCCN(C)C)cc3)CC[C@]12C ZINC000013471883 IH Annotated Mild Cc1ccnc(NCCCCCCC(=O)N[C@@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)c1 ZINC000013472625 IH Annotated Bother Cc1ccnc(NCCCCCCC(=O)N[C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)c1 ZINC000013472626 IH Annotated Bother Cc1nccn1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1 ZINC000013474068 IH Annotated Anodyne Cc1cn(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)cn1 ZINC000013474069 IH Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cn(CCC(=O)O)c(C)n2)cc1 ZINC000013474615 IH Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(/C(S)=N/c3ccc(F)cc3)CC2)=C(O)C1 ZINC000013479352 IH Annotated Mild C/C(=N/CCN1CCN(/C(S)=N\c2ccccc2)CC1)C1=C(O)CC(C)(C)CC1=O ZINC000013479355 IH Annotated Mild C=CCC1=C[C@@](OC)([C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)C(OC)=CC1=O ZINC000013480160 IH Annotated Mild CCN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)C(=O)N(CC)C1=S ZINC000013487536 IH Annotated Clean Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000013494020 IH Annotated Bother O=C(O)[C@@H](CCCCc1cccc2cncn12)CCC(=O)N1c2ccccc2C[C@H]1C(=O)O ZINC000013525511 IH Annotated Anodyne O=C(O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](CCCCc1cccc2cncn12)C(=O)O ZINC000013525515 IH Annotated Anodyne Cc1cc(C)c(C(=O)N2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c(O)n1 ZINC000013545255 IH Annotated Anodyne Cc1cc(C)c(C(=O)N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c(O)n1 ZINC000013545258 IH Annotated Anodyne C[C@@H](CN1C2=NC[C@H](C)N2C[C@H]1Cc1ccc(O)cc1)NC(=O)CCC1CCCCC1 ZINC000013545602 IH Annotated Anodyne CC(C)[C@H]1CN=C2N1C[C@@H](Cc1ccc(O)cc1)N2CCNC(=O)CCC1CCCCC1 ZINC000013545633 IH Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 ZINC000013545640 IH Annotated Anodyne CC(=O)OCC(=O)N(C)c1ccccc1-c1cnc(Nc2ccc3c(C#N)cn(C)c3c2)o1 ZINC000013553711 IH Annotated Mild CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000013553978 IH Annotated Anodyne CCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000013553979 IH Annotated Anodyne CCOC(=O)c1cc(COc2ccccc2)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000013558264 IH Annotated Anodyne O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)O1 ZINC000013558356 IH Annotated Anodyne CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1-c1ccccn1 ZINC000013559129 IH Annotated Anodyne CC(=O)O/N=C1/C(c2c(O)[nH]c3cc(I)ccc23)=Nc2ccccc21 ZINC000013559460 IH Annotated Mild CC(=O)O/N=C1/C(c2c(O)[nH]c3cc(Br)c([N+](=O)[O-])cc23)=Nc2ccccc21 ZINC000013559476 IH Annotated Mild O=[N+]([O-])c1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 ZINC000013559659 IH Annotated Bother COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCC/C(S)=N/1 ZINC000013559806 IH Annotated Anodyne CC[C@@H](C)c1cccc2c1O[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000013561160 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000013561161 IH Annotated Anodyne CC[C@@H](C)c1cccc2c1O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000013561162 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000013561163 IH Annotated Anodyne CC[C@@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000013561164 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000013561165 IH Annotated Anodyne CC[C@@H](C)c1ccc2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000013561166 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000013561167 IH Annotated Anodyne O=C(c1ccccc1F)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013571073 IH Annotated Anodyne CC1(C)CCC(=O)C2=C1NC1=C([C@@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1 ZINC000013579818 IH Annotated Mild CC1(C)CCC(=O)C2=C1NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1 ZINC000013579819 IH Annotated Mild NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccccc4)cc32)cn1 ZINC000013580961 IH Annotated Anodyne COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC ZINC000013586129 IH Annotated Reactive COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC ZINC000013586131 IH Annotated Reactive COc1cc([C@@]2(C)C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1OC ZINC000013586217 IH Annotated Reactive COc1cc([C@]2(C)C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1OC ZINC000013586218 IH Annotated Reactive CC/N=C(\S)Oc1ccc2c(c1)cc(C(=O)NCCN(C)C)c1nc3ccccc3nc12 ZINC000013586921 IH Annotated Mild O=C1CNC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587499 IH Annotated Bother O=C1CNC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587500 IH Annotated Bother CC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(S(C)(=O)=O)c1 ZINC000013587577 IH Annotated Anodyne COCc1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(S(C)(=O)=O)c1 ZINC000013587579 IH Annotated Anodyne O=C(Nc1c(F)cccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cc([N+](=O)[O-])ccn1 ZINC000013587609 IH Annotated Bother O=C(O)C[C@@H](c1ccc2c(c1)OCC2)N1CC[C@H](CCCc2ccc3c(n2)NCCC3)C1=O ZINC000013587681 IH Annotated Anodyne CCN(CCn1cccn1)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000013594467 IH Annotated Anodyne COc1ccc(OC)c(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000013596185 IH Annotated Anodyne COc1ccc(OC)c(CN2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000013596188 IH Annotated Anodyne CC(C)c1nc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)cs1 ZINC000013596679 IH Annotated Anodyne CC(C)c1nc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)cs1 ZINC000013596681 IH Annotated Anodyne CC(C)OC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1-c1ccncc1 ZINC000013605938 IH Annotated Anodyne Cc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C ZINC000013611676 IH Annotated Anodyne O=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1c(Cl)nc2sccn12 ZINC000013611685 IH Annotated Anodyne Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2 ZINC000013611814 IH Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2ccc(Br)cc2)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013634561 IH Annotated Mild C=CCOC(=O)C1=C[C@H](c2ccc(Br)cc2)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013634563 IH Annotated Mild O=C(Nc1ccccc1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013634879 IH Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000013634883 IH Annotated Anodyne c1ccc(-n2cc(CN3CCC(N4CCOCC4)CC3)c(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000013636836 IH Annotated Anodyne O=C(CSc1nccc(=O)[nH]1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000013637442 IH Annotated Anodyne O=C(CSc1nccc(=O)[nH]1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000013637445 IH Annotated Anodyne O=C(CSc1nccc(=O)[nH]1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000013637449 IH Annotated Anodyne O=C(CSc1nccc(=O)[nH]1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000013637452 IH Annotated Anodyne COc1ccc2c3ncn(/N=C/c4ccc(OC)c(CN5CCCC5)c4)c(O)c-3nc2c1 ZINC000013639078 IH Annotated Mild C#Cc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1 ZINC000013646671 IH Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccnc3)c(F)c2)C(=O)O1 ZINC000013648784 IH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccncc3)c(F)c2)C(=O)O1 ZINC000013648786 IH Annotated Anodyne COc1cc2c(=O)n([C@@H](C)CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000013649112 IH Annotated Bother COc1cc2c(=O)n([C@H](C)CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000013649114 IH Annotated Bother O=C(O)Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)c(Cl)c2)c1=O)CCCC3 ZINC000013649906 IH Annotated Anodyne O=C(O)Cn1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c3c(sc21)CCCC3 ZINC000013649907 IH Annotated Anodyne CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650001 IH Annotated Clean CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2c1Cl ZINC000013650285 IH Annotated Anodyne CCNc1cccnc1N1CCN(C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 ZINC000013651279 IH Annotated Anodyne CCNc1cccnc1N1CCN(C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 ZINC000013651280 IH Annotated Anodyne CCCC(CCC)N1CCn2c(=O)n(-c3ccc(S(C)(=O)=O)cc3)c3nc(C)cc1c32 ZINC000013652919 IH Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656526 IH Annotated Mild CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013656749 IH Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013656823 IH Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1 ZINC000013656997 IH Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657000 IH Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657024 IH Annotated Anodyne CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000013657454 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2 ZINC000013660161 IH Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660481 IH Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660484 IH Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660504 IH Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660508 IH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)cc1 ZINC000013660804 IH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)cc1 ZINC000013660806 IH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)cc1 ZINC000013660809 IH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)cc1 ZINC000013660811 IH Annotated Anodyne CCN1c2ncc(CCOc3ccc(CC(=O)O)cc3C)cc2C(=O)N(C)c2cccnc21 ZINC000013671798 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000013675694 IH Annotated Anodyne O=C1[C@@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000013675722 IH Annotated Anodyne O=C1[C@@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000013675724 IH Annotated Anodyne O=C1[C@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000013675728 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000013675730 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@@H]1C[C@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000013675732 IH Annotated Anodyne CCCCS(=O)(=O)NN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000013680725 IH Annotated Clean CC1(C)CC(=O)C(/C=N/CCN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)=C(O)C1 ZINC000013718877 IH Annotated Mild CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccc(OC)cc1 ZINC000013738598 IH Annotated Bother NCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740066 IH Annotated Anodyne CC(=O)Oc1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2 ZINC000013740422 IH Annotated Anodyne C/C(=N\OCC#N)c1ccc(S(=O)(=O)c2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 ZINC000013743624 IH Annotated Mild COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)sc3ccccc13)C2=O ZINC000013744339 IH Annotated Anodyne O=C1N(CC2CC2)[C@H](Cc2cccs2)[C@H](O)[C@@H](O)[C@@H](Cc2cccs2)N1CC1CC1 ZINC000013756090 IH Annotated Anodyne CCOc1cc2cc(CO)c(CO)c(-c3cc(N)c(OC)c(OC)c3)c2cc1OCC ZINC000013756805 IH Annotated Anodyne CN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O ZINC000013758617 IH Annotated Anodyne CCNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12 ZINC000013761375 IH Annotated Anodyne COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CCN2S(C)(=O)=O ZINC000013761429 IH Annotated Anodyne COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)N(S(C)(=O)=O)CC2 ZINC000013761435 IH Annotated Anodyne O=S(=O)(Oc1ccc(-c2c[nH]c(SCCc3c[nH]cn3)n2)cc1)c1ccccc1 ZINC000013764185 IH Annotated Anodyne C=C=C1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@H]12 ZINC000013765845 IH Annotated Anodyne COc1cccc([C@@H]2C/C(=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)c3ccccc3N2)c1 ZINC000013779247 IH Annotated Reactive COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)c3ccccc3N2)c1 ZINC000013779249 IH Annotated Reactive CCN1c2ncc(CCc3ccnc(C(=O)O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780561 IH Annotated Anodyne CCN1c2ncc(COc3cccc(C(N)=O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780566 IH Annotated Anodyne CCN1c2ncc(CS(=O)(=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780576 IH Annotated Anodyne C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013781981 IH Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013782335 IH Annotated Anodyne COc1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl ZINC000013782337 IH Annotated Anodyne C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013785257 IH Annotated Anodyne C[C@H](OC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013785259 IH Annotated Anodyne C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1 ZINC000013785261 IH Annotated Anodyne C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1 ZINC000013785263 IH Annotated Anodyne CCN(CC)c1cc(C)nc(N(CC)c2ccc(S(C)(=O)=O)cc2Br)n1 ZINC000013794492 IH Annotated Anodyne CO[P@@](=O)(Oc1ccccc1-c1ccccc1O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 ZINC000013795525 IH Annotated Anodyne CO[P@](=O)(Oc1ccccc1-c1ccccc1O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 ZINC000013795528 IH Annotated Anodyne CO[P@@](=O)(Oc1ccccc1-c1ccccc1O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1 ZINC000013795531 IH Annotated Anodyne CO[P@](=O)(Oc1ccccc1-c1ccccc1O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1 ZINC000013795534 IH Annotated Anodyne Cc1ccc(N(C)C)nc1CNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000013797304 IH Annotated Anodyne Cc1cc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc(N(C)C)c1 ZINC000013797307 IH Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013797314 IH Annotated Anodyne CC(=O)c1ccc(N2CCN(c3nc4sc5c(Cl)nnnc5c4cc3C#N)CC2)cc1 ZINC000013802228 IH Annotated Mild NCCc1nc(CN2CCN(C(=O)c3cccc4ccccc34)Cc3ccccc32)c[nH]1 ZINC000013803041 IH Annotated Anodyne C[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013814186 IH Annotated Anodyne aggregator C[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013814278 IH Annotated Anodyne aggregator Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2C)c1 ZINC000013814352 IH Annotated Anodyne aggregator CCOC(=O)[C@]1(C)C(C(=O)OC)=C(c2ccc(OC)cc2)c2ccccc2N1C(=O)OC ZINC000013814438 IH Annotated Anodyne CCOC(=O)[C@@]1(C)C(C(=O)OC)=C(c2ccc(OC)cc2)c2ccccc2N1C(=O)OC ZINC000013814440 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013814952 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013814954 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013814956 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013814959 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@@H]12 ZINC000013814999 IH Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@H]12 ZINC000013815002 IH Annotated Mild C[C@@H](CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]12)[C@H](O)c1ccccc1 ZINC000013815036 IH Annotated Anodyne CCCCC1=CC2=C(OC(C)=O)C(=O)[C@@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815565 IH Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815569 IH Annotated Mild CCN1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000013816372 IH Annotated Anodyne C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCCCO)C=C2C1=O ZINC000013817007 IH Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCCCO)C=C2C1=O ZINC000013817011 IH Annotated Mild COCCN1C=C2C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817061 IH Annotated Mild COCCN1C=C2C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817065 IH Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1Cc1ccc2c(c1)OCO2 ZINC000013817136 IH Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1Cc1ccc2c(c1)OCO2 ZINC000013817139 IH Annotated Mild CCOCCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817161 IH Annotated Mild O=C1CCN2C(=C1C(=O)Nc1ccccc1F)N(C[C@@H]1CCCO1)c1cc(F)ccc12 ZINC000013817165 IH Annotated Mild O=C1CCN2C(=C1C(=O)Nc1ccccc1F)N(C[C@H]1CCCO1)c1cc(F)ccc12 ZINC000013817169 IH Annotated Mild Cc1noc(C)c1S(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817405 IH Annotated Anodyne CCCCS(=O)(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817440 IH Annotated Anodyne C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc(C#N)cc1)CC3 ZINC000013817541 IH Annotated Mild C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)NCc1ccco1)CC3 ZINC000013817550 IH Annotated Anodyne C=C(C)[C@H]1C[C@H](OC(C)=O)C2=C[C@@H](C[C@]3(C)O[C@H]3c3cc(C)c(o3)[C@@H]1OC(C)=O)OC2=O ZINC000013822106 IH Annotated Mild C/C=C1\CO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828928 IH Annotated Anodyne C/C=C1\CO[C@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828930 IH Annotated Anodyne CCC/C=C1/CCCO[C@@](C(=O)NCc2ccc(S(C)(=O)=O)cc2)(C(F)(F)F)C1 ZINC000013828991 IH Annotated Anodyne CCC/C=C1/CCCO[C@](C(=O)NCc2ccc(S(C)(=O)=O)cc2)(C(F)(F)F)C1 ZINC000013828993 IH Annotated Anodyne CC(=O)c1ccc([C@@H]2C[C@@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@@H]3C[C@@H]2O4)cc1 ZINC000013830445 IH Annotated Anodyne CC(=O)c1ccc([C@H]2C[C@@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@@H]3C[C@@H]2O4)cc1 ZINC000013830447 IH Annotated Anodyne Cc1cc(C)c2nc(O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000013831847 IH Annotated Anodyne Cc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@H]2COCCO2)c1 ZINC000013858317 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C(=O)[C@@H](Cc3ccccc3)[C@H]2COC(=O)c2ccccc2)cc1 ZINC000013862666 IH Annotated Anodyne C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H](N)CS)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000013863799 IH Annotated Mild C[C@H](C(=O)Nc1ccc(NC(=O)[C@@H](N)CS)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000013863800 IH Annotated Mild C[C@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(Cl)s2)CS1 ZINC000013864140 IH Annotated Mild Nc1cccc(-c2ccc(S(=O)(=O)N(CCCO)c3ccnn3-c3ccccc3)cc2)c1 ZINC000013864529 IH Annotated Anodyne Cc1nn(-c2ccccn2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864592 IH Annotated Clean Cc1ccccc1CNc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000013878882 IH Annotated Bother Cc1ccccc1CNc1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000013878883 IH Annotated Bother Cc1cccc(CNc2ccc([C@@H](CC(N)=O)NC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000013878904 IH Annotated Bother Cc1cccc(CNc2ccc([C@H](CC(N)=O)NC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000013878905 IH Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000013878912 IH Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000013878913 IH Annotated Bother NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878916 IH Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000013878917 IH Annotated Bother CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878938 IH Annotated Bother CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878939 IH Annotated Bother CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O)C(=O)O ZINC000013883987 IH Annotated Anodyne CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O ZINC000013883988 IH Annotated Anodyne CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O)C(=O)O ZINC000013883989 IH Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000013905028 IH Annotated Mild COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@H](C)CO)n2)n1)OC ZINC000013916024 IH Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000013982710 IH Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000135612265 IH Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C ZINC000135618867 IH Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)c2O ZINC000135799171 IH Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000135833834 IH Annotated Anodyne C=C[C@H]1C=C[C@@H]2[C@H]3[C@H]1C(=O)[C@@H]1C(=O)NC(=O)[C@H]1Cc1ccc(cc1)O[C@H]3[C@@H]1CC[C@@H](C)C[C@@H]21 ZINC000135876849 IH Annotated Mild C=CCCCCCCCCCC[C@]1(O)C=CC2=[N+](CCCCCN=C(N)N)CCCN21 ZINC000135927590 IH Annotated Mild CC/C=C\C/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C\C=C\[C@H](O)CCC(=O)OC ZINC000135975290 IH Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 ZINC000136086164 IH Annotated Anodyne CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(C)c1c32 ZINC000136104642 IH Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@@H]4OC(=O)[C@@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)O4)[C@H]12 ZINC000136133741 IH Annotated Mild CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000136194351 IH Annotated Anodyne Cc1[nH]n2c(=O)cc(CSc3nnnn3-c3ccccc3)nc2c1-c1ccc(Cl)cc1 ZINC000136283843 IH Annotated Anodyne C=C1[C@H]2[C@@H]3OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@@H]3CC[C@]2(C)[C@@H]2O[C@@H]2[C@@H]1OC(=O)CC(C)C ZINC000136300047 IH Annotated Mild C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1OC(C)=O ZINC000136589952 IH Annotated Reactive C=C[C@H]1C=C[C@@H]2[C@H]3[C@H]1C(=O)[C@@H]1C[C@](O)(Cc4ccc(cc4)O[C@H]3[C@@H]3CC[C@@H](C)C[C@@H]23)NC1=O ZINC000136752429 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC(=O)O[C@](O)(c4ccoc4)[C@]3(C)CC[C@H]21 ZINC000136808194 IH Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000136818330 IH Annotated Anodyne CC(C)=C/C=C/[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)c2O ZINC000136862156 IH Annotated Anodyne C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1OC(C)=O ZINC000136967318 IH Annotated Reactive Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@]12O ZINC000136972461 IH Annotated Reactive C[C@]12CC[C@H]3[C@@H](/C(=N/OCCCn4ccnc4)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137373475 IH Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCCC1 ZINC000137466098 IH Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCCC1 ZINC000137466164 IH Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3nnc(C)c-3c2N)cc1Cl ZINC000137491978 IH Annotated Anodyne O=C(COc1ccc(OCc2ccccc2)cc1)NCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000137701625 IH Annotated Anodyne O=C(COc1ccc(OCc2ccccc2)cc1)NCC(=O)N[C@H]1CCCc2ccccc21 ZINC000137701721 IH Annotated Anodyne COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000137835619 IH Annotated Mild CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@@](C)(O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C ZINC000137997539 IH Annotated Anodyne CC(C)=CCC[C@]1(C)Oc2cc3c(c(O)c2C[C@H]1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O3 ZINC000138020478 IH Annotated Anodyne CC(C)CCCCCCCCCC[C@@]1(O)C=CC2=[N+](CCCCN=C(N)N)CCCN21 ZINC000138115957 IH Annotated Mild COc1ccc(CC2CCOCC2)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1 ZINC000138193082 IH Annotated Anodyne COCCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000138236918 IH Annotated Mild O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000138290319 IH Annotated Reactive O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000138290433 IH Annotated Reactive O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000138290557 IH Annotated Reactive Cc1cc2c(cc1C)[n+](=O)c(C(=O)CC(=O)C(=O)Nc1ccccc1C(C)C)c(C)n2O ZINC000138310829 IH Annotated Anodyne CCc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1c(C)n(O)c2ccccc2[n+]1=O ZINC000138372482 IH Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3nnc(C)c-3c2N)cc1Cl ZINC000138390947 IH Annotated Anodyne C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C3 ZINC000138603011 IH Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(NCCS(=O)(=O)O)C1=O ZINC000138743868 IH Annotated Mild C[C@@H](C[C@H]1C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)Cl ZINC000138900321 IH Annotated Reactive N/C(=N/N=C/c1ccc(OC(F)(F)F)cc1)N/N=C/c1ccc(OC(F)(F)F)cc1 ZINC000138969599 IH Annotated Mild CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1CC(C)C ZINC000139138094 IH Annotated Anodyne Cn1cc(C#Cc2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000139521154 IH Annotated Mild Cn1ccc(C#Cc2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000139548531 IH Annotated Mild Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000139558914 IH Annotated Anodyne Cc1cnnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000139596650 IH Annotated Anodyne NCCn1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000139667896 IH Annotated Anodyne Nc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 ZINC000139671080 IH Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@@]3(C)CO3)n2)n1)OC ZINC000139683489 IH Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(=O)CCC)c1ccccc12 ZINC000139714554 IH Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@]1(C)CC[C@@H](OC(C)=O)C(=C)CCC[C@H](C)[C@H]2OC(C)=O ZINC000139724883 IH Annotated Mild c1cc(CC2CCOCC2)n2nc(Nc3ccc4c(NC5CCOCC5)n[nH]c4c3)nc2c1 ZINC000139737242 IH Annotated Anodyne in-vitro CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)COc1ccc2[nH]ccc2c1 ZINC000139742980 IH Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)CNc1cccc2[nH]ccc12 ZINC000139743486 IH Annotated Anodyne N#Cc1cn(CCc2ccccc2)c2c(N3CCN(CCc4ccccc4)CC3)ncnc12 ZINC000139743548 IH Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)CNc1ccc2[nH]ccc2c1 ZINC000139751573 IH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(CCO)c4)ccn23)c1 ZINC000139836572 IH Annotated Anodyne CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)s1 ZINC000139930819 IH Annotated Anodyne CC(C)c1s/c(=N\S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl ZINC000014165357 IH Annotated Anodyne CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(C)n1 ZINC000014208942 IH Annotated Anodyne CC[C@@H](C)C(=O)Oc1c(OC)c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc12 ZINC000014437219 IH Annotated Anodyne CC[C@H](C)C(=O)Oc1c(OC)c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc12 ZINC000014437221 IH Annotated Anodyne C[C@@H](C/C(O)=N/C(=O)c1c[nH]c(/C=C/CCCCCCCCC(=O)O)cc1=O)C(=O)O ZINC000014439504 IH Annotated Mild C/C(=C\CC[C@](C)(O)[C@H](C)O)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454980 IH Annotated Mild C/C(=C\CC[C@@](C)(O)[C@@H](C)O)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454981 IH Annotated Mild in-vitro biogenic C/C(=C\CC[C@@](C)(O)[C@H](C)O)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454982 IH Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@@H]1OC(=O)[C@H](C)CC ZINC000140006766 IH Annotated Mild Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C2(C(F)(F)F)CC2)n1 ZINC000140033109 IH Annotated Anodyne CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1 ZINC000140051254 IH Annotated Anodyne CO[C@@H]1[C@H]2[C@H](C=C(C=O)[C@]3(OC)[C@H](OC(=O)c4c(C)cc(O)cc4O)C[C@]23C)CC1(C)C ZINC000140081605 IH Annotated Reactive C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=C[C@@H](O)OC1=O ZINC000140091416 IH Annotated Anodyne C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CC(=O)O[C@H]1O ZINC000140092387 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140113734 IH Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000140138773 IH Annotated Anodyne CC(=O)[C@@H]1[C@@H](O)C[C@@H]2[C@@]3(C)[C@H]1C(=O)O[C@@H]3C[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@@]21CO ZINC000140160966 IH Annotated Anodyne Cc1nccn1CC(=O)N(c1ccc(N)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140326947 IH Annotated Anodyne Cc1nccn1CC(=O)N(c1ccc(N)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140327132 IH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(C)c1c32 ZINC000140366486 IH Annotated Anodyne CC(C)=C[C@@H]1C[C@@H](C)[C@@H]2CC[C@@H](C)c3c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c(C)c1c32 ZINC000140370169 IH Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)cc1 ZINC000140501885 IH Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)cc1 ZINC000140502065 IH Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)cc1 ZINC000140502243 IH Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)cc1 ZINC000140502430 IH Annotated Anodyne CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C1=CC(=O)O[C@H]1O ZINC000140575835 IH Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](Br)C[C@]3(C)[C@@H](C)[C@H](Br)[C@H](O)[C@H](C)[C@]123 ZINC000140595058 IH Annotated Reactive COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(Cl)cc2)CC3)n1 ZINC000141171144 IH Annotated Anodyne Cc1ccsc1-c1c2c(nn1C)CCc1cnc(Nc3ccn(CCN(C)C)n3)nc1-2 ZINC000141175349 IH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2Cl)CC3)n1 ZINC000141176090 IH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(Cl)c2)CC3)n1 ZINC000141183239 IH Annotated Anodyne COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2Cl)CC3)cn1 ZINC000141186177 IH Annotated Anodyne C/C=C(/C)C(=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)[C@H](C)CC)[C@H]21 ZINC000141241841 IH Annotated Mild C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2CN2C[C@](C)(O)CC[C@H]12 ZINC000141281497 IH Annotated Anodyne C[C@H](CCCC(C)(C)O)[C@H]1CCC(=O)[C@]23CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@H]2CC[C@]13C ZINC000141314332 IH Annotated Mild COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(Cl)c1OC ZINC000141834073 IH Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1Cl ZINC000141838338 IH Annotated Anodyne CN(C)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1 ZINC000141861067 IH Annotated Clean CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC3CC3)nc2)c1F ZINC000141899211 IH Annotated Anodyne CC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141901258 IH Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@@H]([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC ZINC000141916805 IH Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@H]([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC ZINC000141917008 IH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2nc(C#N)cs2)cn1 ZINC000141947949 IH Annotated Mild CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1 ZINC000142009992 IH Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 ZINC000142010262 IH Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000142048787 IH Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000142049011 IH Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000142049214 IH Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000142049392 IH Annotated Anodyne Cc1c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cnn1-c1ccc(C#N)cc1 ZINC000142059577 IH Annotated Anodyne Cc1c([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cnn1-c1ccc(C#N)cc1 ZINC000142059794 IH Annotated Anodyne Cc1cc2c(C(=O)N(C)C)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 ZINC000142164512 IH Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2)C1CC1 ZINC000142230670 IH Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2)C1CC1 ZINC000142230889 IH Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3CC(F)(F)F)nc1 ZINC000142236761 IH Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc3c2cnn3CC(F)(F)F)nc1 ZINC000142237222 IH Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc2nc[nH]c2c1 ZINC000142281328 IH Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1 ZINC000142317440 IH Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)c1 ZINC000142353052 IH Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCC2)CC3)c1 ZINC000142353257 IH Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)c1 ZINC000142353470 IH Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCC2)CC3)c1 ZINC000142353684 IH Annotated Anodyne O=C(CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)Nc1ccccc1 ZINC000142556590 IH Annotated Anodyne COc1cc(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2cccc(F)c2)cc1OC ZINC000142702523 IH Annotated Anodyne C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@@](=N)(=O)C3CC3)cc2)ncc1Br ZINC000142714367 IH Annotated Anodyne in-vitro C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@](=N)(=O)C3CC3)cc2)ncc1Br ZINC000142714579 IH Annotated Anodyne in-vitro CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N(C)Cc3ccncc3)c2)cc1 ZINC000142808796 IH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N(C)Cc3ccncc3)c2)cc1 ZINC000142809000 IH Annotated Mild CC(=O)Nc1c(Cl)cc(C/N=C(\N)NC(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl ZINC000142826409 IH Annotated Anodyne N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O ZINC000142846231 IH Annotated Anodyne N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@H]1O ZINC000142846631 IH Annotated Anodyne Cc1noc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(OCC(F)(F)F)c4)[nH]c23)n1 ZINC000142849189 IH Annotated Anodyne CCN(C(=O)COC)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142877428 IH Annotated Anodyne CCN(C(=O)COC)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142877652 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 ZINC000142881445 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 ZINC000142881651 IH Annotated Anodyne CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142926000 IH Annotated Anodyne CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142926206 IH Annotated Anodyne CS(=O)(=O)c1cccc(-c2csc3ncnc(-n4nc5ccccn5c4=S)c23)c1 ZINC000142956207 IH Annotated Anodyne CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CCCOC)CC1 ZINC000142963878 IH Annotated Anodyne CCCC[C@@H](CC)CNc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142976553 IH Annotated Anodyne CCCC[C@H](CC)CNc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142976745 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 ZINC000143219805 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2 ZINC000143220033 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 ZINC000143220226 IH Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCC1)CC2 ZINC000143220436 IH Annotated Anodyne CCCS(=O)(=O)N1CC(Oc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)C1 ZINC000143228896 IH Annotated Anodyne CCCS(=O)(=O)N1CC(Oc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)C1 ZINC000143229107 IH Annotated Anodyne CCCS(=O)(=O)N1CC(Oc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)C1 ZINC000143229287 IH Annotated Anodyne CCCS(=O)(=O)N1CC(Oc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)C1 ZINC000143229486 IH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2nc(C3CC3)no2)cn1 ZINC000143237495 IH Annotated Anodyne CC[C@@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1OC ZINC000143443912 IH Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2cccc(F)c2O1 ZINC000143492517 IH Annotated Anodyne CC(=O)N(C)CCOc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143498347 IH Annotated Anodyne CC(=O)N(C)CCOc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143498562 IH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1Cl ZINC000143509349 IH Annotated Anodyne C[C@@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccccc2O1 ZINC000143511218 IH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(N(CC)c2ccc3ncn(C)c(=O)c3c2)c1F ZINC000143515073 IH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F ZINC000143519068 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1[C@](O)(C(C)C)C[C@H]2O ZINC000143555302 IH Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3c(C)cccc23)cc1 ZINC000143562834 IH Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3c(C)cccc23)cc1 ZINC000143563028 IH Annotated Mild CN1Cc2cc(C(C)(C)C)ccc2C(=O)N1c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO ZINC000143571489 IH Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1 ZINC000143600924 IH Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1 ZINC000143601137 IH Annotated Mild C[C@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccccc2O1 ZINC000143603847 IH Annotated Anodyne CCOC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(O)c1 ZINC000143630100 IH Annotated Mild CCOC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(O)c1 ZINC000143630242 IH Annotated Mild C[C@@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC4=C(C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000143668038 IH Annotated Mild COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(C)c1 ZINC000143728499 IH Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(C)c1 ZINC000143728714 IH Annotated Mild CCOC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143733767 IH Annotated Mild CCOC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143733961 IH Annotated Mild COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(F)c1 ZINC000143746880 IH Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(F)c1 ZINC000143747089 IH Annotated Mild CONC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000143832927 IH Annotated Anodyne CCC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000143834005 IH Annotated Mild CCC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000143834165 IH Annotated Mild COc1cc(OC[C@@H]2COC(C)(C)O2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143850410 IH Annotated Anodyne C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1Cc1ccccc1F ZINC000143868484 IH Annotated Anodyne CNC(=O)c1ccc(C#N)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000143899315 IH Annotated Mild CC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NC#N)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000143900371 IH Annotated Mild CNC(=O)c1cc(OC)ccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000143907670 IH Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCC(N)CC3)cn2)cc1 ZINC000144199556 IH Annotated Anodyne O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCn2ccnc2C1 ZINC000144226891 IH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC2(CCC2)Oc2ccc(F)cc21 ZINC000144250578 IH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(=O)[C@](C)(OO)[C@H](C)C2 ZINC000144258562 IH Annotated Reactive O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000144325964 IH Annotated Anodyne N#Cc1ccc2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(NC3CC3)nc2c1 ZINC000144378319 IH Annotated Anodyne CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(OCF)cc2F)CC1 ZINC000144468079 IH Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCC(Cn4cc(Cl)ccc4=O)CC3)nc2c1 ZINC000144479848 IH Annotated Anodyne CC[C@@H](C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(OC)cc2F)CC1 ZINC000144488131 IH Annotated Anodyne CC[C@H](C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(OC)cc2F)CC1 ZINC000144488324 IH Annotated Anodyne COc1ccc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)cc1Cl ZINC000144497092 IH Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1 ZINC000144629160 IH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CN(C)CCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144683317 IH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CN(C)CCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144683525 IH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2COCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144685861 IH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144686055 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000144821187 IH Annotated Anodyne CC(=O)N(C)CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144844902 IH Annotated Anodyne CC(=O)N(C)CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144845112 IH Annotated Anodyne O=C(COc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000144848759 IH Annotated Anodyne O=C(COc1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000144848964 IH Annotated Anodyne CN(C)C(=O)CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144857193 IH Annotated Anodyne CN(C)C(=O)CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144857375 IH Annotated Anodyne O=C1CCCN1CCOc1cc(-c2cn[nH]c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144864928 IH Annotated Anodyne O=C1CCCN1CCOc1cc(-c2cn[nH]c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144865106 IH Annotated Anodyne O=C(O)CCCn1cc(-c2cc(CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144911718 IH Annotated Anodyne O=C(O)CCCn1cc(-c2cc(CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144911927 IH Annotated Anodyne C/C=C/c1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144920334 IH Annotated Anodyne C/C=C/c1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144920536 IH Annotated Anodyne CCCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144920773 IH Annotated Anodyne CCCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144920993 IH Annotated Anodyne CC(C)c1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144921986 IH Annotated Anodyne CC(C)c1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144922192 IH Annotated Anodyne Cc1cc(-c2cnn(CCCc3nn[nH]n3)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144939293 IH Annotated Anodyne Cc1cc(-c2cnn(CCCc3nn[nH]n3)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144939485 IH Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](C)N)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144947230 IH Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](C)N)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144947432 IH Annotated Anodyne CCCC(=O)Cc1cc(OC)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c1 ZINC000014516273 IH Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)CC2 ZINC000014585766 IH Annotated Anodyne CC[C@H](C)C(=O)c1c(O)c(C[C@@H](O)C(C)(C)O)c2oc(=O)cc(-c3ccccc3)c2c1O ZINC000014585950 IH Annotated Anodyne in-vitro biogenic CC[C@@H](C)C(=O)c1c(O)c(C[C@H](O)C(C)(C)O)c2oc(=O)cc(-c3ccccc3)c2c1O ZINC000014585952 IH Annotated Anodyne O=c1cc2c3cc(O)c(O)cc3oc3cc4c(c(o1)c32)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O4 ZINC000014611230 IH Annotated Clean O=c1cc2c3cc(O)c(O)cc3oc3cc4c(c(o1)c32)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O4 ZINC000014611232 IH Annotated Clean CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@@H](CC)OC(C)=O)c3c1O)C[C@@H](C(C)(C)O)O2 ZINC000014616145 IH Annotated Anodyne CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@H](CC)OC(C)=O)c3c1O)C[C@@H](C(C)(C)O)O2 ZINC000014616147 IH Annotated Anodyne CC1(C)C=Cc2c(O)c(C[C@H](O)C(C)(C)O)c3occ(-c4ccc(O)cc4)c(=O)c3c2O1 ZINC000014618567 IH Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2c(O)c(C[C@@H](O)C(C)(C)O)c3occ(-c4ccc(O)cc4)c(=O)c3c2O1 ZINC000014618568 IH Annotated Anodyne COC(=O)N1CCc2c(OC)c(OC)c(OC)c3c2[C@H]1Cc1cc(OC)c(OC)cc1-3 ZINC000014639549 IH Annotated Anodyne in-vitro biogenic COC(=O)N1CCc2c(OC)c(OC)c(OC)c3c2[C@@H]1Cc1cc(OC)c(OC)cc1-3 ZINC000014639552 IH Annotated Anodyne COc1cc2oc(-c3cc(OC)c4c(c3)OCO4)cc(=O)c2c(OC)c1/C=C/C(C)(C)O ZINC000014648337 IH Annotated Anodyne COc1cc([C@@H]2c3c(oc4cc(C(C)=O)c(O)cc34)C(=O)C[C@H]2COC(C)=O)ccc1O ZINC000014680370 IH Annotated Anodyne COC(=O)c1c(Cl)c(O)c(C)c2c1Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 ZINC000014682370 IH Annotated Anodyne COC(=O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CCN(CC(=O)O)C1=O ZINC000014691299 IH Annotated Anodyne CC(C)=C/C=C/[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c2O ZINC000014696686 IH Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCO)C3=O)C[C@H]1O ZINC000014714664 IH Annotated Anodyne CC(=O)Oc1cc(Br)c(OC(C)=O)c(Br)c1Br ZINC000014769498 IH Annotated Anodyne CCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2C[C@@H]2C(C)=CC(=O)[C@@H](OC(C)=O)[C@@]12C ZINC000014776701 IH Annotated Mild COc1cc([C@@H](OC(=O)c2cc(OC)c3c(c2)OCO3)[C@@H](C)C(C)=O)cc(OC)c1OC ZINC000014824186 IH Annotated Anodyne COc1cc(C(=O)O[C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C)C(C)=O)cc(OC)c1OC ZINC000014824196 IH Annotated Anodyne CC(=O)C[C@@H]1C(=O)C(C(=O)O)=C[C@H]2[C@@H](C(C)(C)O)CC[C@]2(C)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000014828867 IH Annotated Mild COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000014858267 IH Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 ZINC000014858268 IH Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000014858269 IH Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 ZINC000014858270 IH Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)Oc2cc3c(c(O)c2C[C@@H]1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O3 ZINC000014860399 IH Annotated Anodyne COc1cc2cc3c(c(O)c2c2oc4c(c12)C(=O)c1c(O)cccc1C4=O)C(=O)O[C@@H](C)C3 ZINC000014885093 IH Annotated Clean COc1ccc2c(c1OC)[C@@H]([C@@H]1CCNC1=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000014923004 IH Annotated Anodyne CC(C)COc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)n2ncc(C(C)C)c2n1 ZINC000014948073 IH Annotated Anodyne CCc1c(C(=O)NC)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 ZINC000014954069 IH Annotated Anodyne COc1cc(NC(=O)c2cccs2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000014956091 IH Annotated Mild COc1cc(NC(=O)Cc2ccsc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000014956095 IH Annotated Mild C[C@@H](CNC(=O)c1cc2ncccn2n1)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000014963375 IH Annotated Anodyne C[C@H](CNC(=O)c1cc2ncccn2n1)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000014963379 IH Annotated Anodyne CCN(CC)CCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964423 IH Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC[C@@H]2CCCN2)ccc2c1CCCC2 ZINC000014964529 IH Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC[C@H]2CCCN2)ccc2c1CCCC2 ZINC000014964533 IH Annotated Anodyne CN(C)CCCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964603 IH Annotated Anodyne CN(C)CCSc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964743 IH Annotated Anodyne CN(C)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964902 IH Annotated Anodyne in-vivo CN(C)C[C@@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964965 IH Annotated Anodyne CN(C)C[C@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964969 IH Annotated Anodyne CN(C)C[C@@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964972 IH Annotated Anodyne CN(C)C[C@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964976 IH Annotated Anodyne CCc1ccc(NS(=O)(=O)c2ccccc2NCCCCN(C)C)c(C(=O)O)c1OC ZINC000014965115 IH Annotated Anodyne CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2c(c1)OCCN2 ZINC000014970341 IH Annotated Bother CCN(CCN(C)C)C(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1 ZINC000014974725 IH Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccoc2)CCO3)C1 ZINC000014996340 IH Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccoc2)CCO3)C1 ZINC000014996342 IH Annotated Anodyne N=C(S)OC(=N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000145032051 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000145169220 IH Annotated Mild CC(C)(C)NC(=O)[C@H](c1cncnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000145279258 IH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cncnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000145279453 IH Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@@H](OC(C)=O)[C@@H]1[C@@H]2[C@]1(C)CCC2=C(CCCC2(C)C)[C@H]1C ZINC000145352290 IH Annotated Anodyne O=C(c1nc2ccccc2n1CC(F)(F)F)N1CC(c2nccnc2N2CCCCC2)C1 ZINC000145464477 IH Annotated Anodyne CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 ZINC000145470347 IH Annotated Anodyne Cc1cc(CNC(=O)[C@@H](c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)on1 ZINC000145497291 IH Annotated Anodyne Cc1cc(CNC(=O)[C@H](c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)on1 ZINC000145497488 IH Annotated Anodyne OCCN(CCO)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145501315 IH Annotated Anodyne OCCN(CCO)Cc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145501507 IH Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)N1CCC[C@H]1CO ZINC000145550459 IH Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)N1CCC[C@H]1CO ZINC000145550672 IH Annotated Anodyne [C-]#[N+]c1c(F)ccc2c1CC[C@H]2CN1CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1 ZINC000145664368 IH Annotated Anodyne [C-]#[N+]c1c(F)ccc2c1CC[C@H]2CN1CCN(C[C@@H](O)c2ccc3c(c2C)COC3=O)CC1 ZINC000145664511 IH Annotated Anodyne [C-]#[N+]c1c(F)ccc2c1CC[C@@H]2CN1CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1 ZINC000145664662 IH Annotated Anodyne [C-]#[N+]c1c(F)ccc2c1CC[C@@H]2CN1CCN(C[C@@H](O)c2ccc3c(c2C)COC3=O)CC1 ZINC000145664845 IH Annotated Anodyne Cc1ccc(Nc2ccc(Oc3nccnc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1 ZINC000145865079 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000145963950 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000145964148 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000145964336 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000145964541 IH Annotated Anodyne COCCNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000146409573 IH Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1 ZINC000146461724 IH Annotated Anodyne C[C@@H](O)[C@@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000146476162 IH Annotated Anodyne C[C@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000146476354 IH Annotated Anodyne C[C@H](O)[C@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000146476554 IH Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@@H]4CO)c3)c2)ccc1OC1CCOCC1 ZINC000146515390 IH Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn([C@@H]4CCNC4)c3)c2)ccc1OC1CCOCC1 ZINC000146536608 IH Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn([C@H]4CCNC4)c3)c2)ccc1OC1CCOCC1 ZINC000146536799 IH Annotated Anodyne C/C=C(\C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C3[C@H]12 ZINC000146696827 IH Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C/COC(C)=O)cc3[C@H]2COC(C)=O)ccc1O ZINC000146755018 IH Annotated Anodyne C=C(CCCC(C)=O)[C@H]1[C@@H]2CC(=O)O[C@@H](C/C=C(\C)COC(C)=O)C2=CO[C@@H]1OC(C)=O ZINC000146756266 IH Annotated Mild Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(CO)CCCC3)CC2)ncc1Cl ZINC000146851068 IH Annotated Anodyne Cn1cncc1C#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000146921042 IH Annotated Mild Cc1ccc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000146936580 IH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnc(O)cn4)ccn23)c1 ZINC000147075437 IH Annotated Anodyne CCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000147103463 IH Annotated Anodyne CCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000147103656 IH Annotated Anodyne CNC(=O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3cc(Cl)ccc3n21 ZINC000147242978 IH Annotated Anodyne Cc1nc(-c2nc(C(=O)N[C@H](C(=O)OC/C=C/CCS)C(C)C)cs2)cs1 ZINC000147366959 IH Annotated Mild O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 ZINC000147424766 IH Annotated Anodyne COCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1 ZINC000147478903 IH Annotated Anodyne CC(C)(C)c1cc(S(=O)(=O)/C=C/C#N)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000147510705 IH Annotated Reactive CC1(C)C=Cc2c(ccc3c2NC(=O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(=O)N4)O1 ZINC000147542439 IH Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ccc(F)s5)cc4s3)o2)CC1 ZINC000147553015 IH Annotated Mild COc1cc(S(=O)(=O)c2cccc([C@@H](O)C(F)(F)F)c2)cc2c3c(oc12)CCNC3 ZINC000147580351 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc([C@H](O)C(F)(F)F)c2)cc2c3c(oc12)CCNC3 ZINC000147580554 IH Annotated Anodyne COc1cc(C2CC2)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147585488 IH Annotated Anodyne COc1cccc(NC(=O)COc2ccc(S(=O)(=O)/C=C/C#N)cc2C(C)(C)C)c1 ZINC000147588154 IH Annotated Reactive COCCOCc1ccc(NC(=O)C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)cc1 ZINC000147598854 IH Annotated Reactive N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000147604117 IH Annotated Reactive Cc1ccc(O)c(NC(=O)COc2ccc(S(=O)(=O)/C=C/C#N)cc2C(C)(C)C)c1 ZINC000147604666 IH Annotated Reactive COc1cc(F)c([C@]23CO[C@@H](COCc4ccccc4)C[C@H]2CSC(N)=N3)cc1C#N ZINC000147748579 IH Annotated Anodyne N#Cc1cc([C@]23CO[C@@H](COCc4ccccc4)C[C@H]2CSC(N)=N3)c(F)cc1F ZINC000147749007 IH Annotated Anodyne N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 ZINC000147781508 IH Annotated Anodyne Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O ZINC000147810712 IH Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147812212 IH Annotated Anodyne CC(=O)N(C)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1 ZINC000147815528 IH Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147826927 IH Annotated Anodyne COc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc2c3c(oc12)CCNC3 ZINC000147940660 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(oc12)CCNC3 ZINC000147959885 IH Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cn1 ZINC000148036042 IH Annotated Anodyne N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccn3)c(-c3ccccc3)s2)c(O)c1 ZINC000148224072 IH Annotated Anodyne CCc1ncnc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148283927 IH Annotated Mild C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@@]2(c2cc(CNCC(F)(F)F)c(F)cc2F)CO1 ZINC000148295491 IH Annotated Anodyne Cc1nc(/C=C/c2c(C)nnn2-c2ccc(F)cc2)sc1C(=O)NC1CCOCC1 ZINC000148460814 IH Annotated Anodyne Cc1ncnc(-c2ccc(C(=O)N3CCCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148670912 IH Annotated Mild Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)cnc12 ZINC000148849799 IH Annotated Anodyne CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)c(C)c1c32 ZINC000148956200 IH Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cncnc1 ZINC000148960145 IH Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cncnc1 ZINC000148960273 IH Annotated Anodyne COc1cccc(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)c1 ZINC000149003533 IH Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccc(F)nc4F)c3CCN12 ZINC000149095730 IH Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000149179698 IH Annotated Mild COc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1 ZINC000149193430 IH Annotated Anodyne CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nc(C)cs4)C3=C2)cn1 ZINC000149225499 IH Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CC=CC3)cc(NC3CCOCC3)n2n1 ZINC000149520155 IH Annotated Anodyne Cc1oncc1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000149645070 IH Annotated Clean Cc1oncc1C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000149645224 IH Annotated Clean O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2ccc(OC(F)F)cc2)c1 ZINC000149879126 IH Annotated Anodyne O=C(Nc1ccc([C@@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1 ZINC000149884112 IH Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1 ZINC000149884362 IH Annotated Anodyne COc1ccc(C#N)cc1NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1Br ZINC000149925313 IH Annotated Anodyne COc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1Br ZINC000149925536 IH Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ncc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 ZINC000149930301 IH Annotated Anodyne CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ncc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 ZINC000149930512 IH Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ncc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 ZINC000149930735 IH Annotated Anodyne CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ncc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 ZINC000149930932 IH Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2cccc(OC(F)F)c2)c1 ZINC000149933619 IH Annotated Anodyne O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Br ZINC000149960040 IH Annotated Anodyne O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Br ZINC000149960316 IH Annotated Anodyne C[C@H](NC(=O)Cn1cncn1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149974290 IH Annotated Clean COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc2c1NS(=O)(=O)c1ccccc1-2 ZINC000001508717 IH Annotated Clean COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc(OC)c1OC ZINC000001532037 IH Annotated Anodyne in-man CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000001535271 IH Annotated Anodyne CCS(=O)(=O)CCC(=O)CNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001535888 IH Annotated Anodyne CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)[C@H]1COc2cccc(OC)c2C1 ZINC000001554701 IH Annotated Anodyne C[C@H]1O[C@H]2CO[C@@H](C)O[C@@H]2[C@@H](C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)O1 ZINC000001593150 IH Annotated Anodyne CCN(CC)CCCN(c1cc(OC)cc2nccnc12)S(=O)(=O)c1ccc(C)cc1 ZINC000001593223 IH Annotated Anodyne COC(=O)C1=C(c2cc(OC)c(OC)c(OC)c2)O[C@H](c2ccc(OC)c(OC)c2)C1 ZINC000001616649 IH Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)c1c(Br)cc(Br)cc1CCN2 ZINC000001618510 IH Annotated Mild CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccccc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000001628471 IH Annotated Clean COc1cc2c(cc1OC)C(Cc1cc(Br)c(OC)c(OC)c1)=[N+](C)CC2 ZINC000001629539 IH Annotated Anodyne CCn1c(S[C@H](C)C(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc2c1=O ZINC000001632329 IH Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCC(=O)O ZINC000001633151 IH Annotated Bother COc1ccc(/C=N/n2cnc3c(c2=O)SC(=C(C#N)C#N)N3c2ccccc2)cc1 ZINC000001633234 IH Annotated Reactive COC(=O)c1csc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Br)n1 ZINC000001634790 IH Annotated Anodyne CCN(CC)CCn1ncc2c3c(=O)c4cccnc4n(CCN(CC)CC)c3ccc21 ZINC000001638200 IH Annotated Bother CCN(CC)CCn1ncc2ccc3c(c(=O)c4cccnc4n3CCN(CC)CC)c21 ZINC000001638201 IH Annotated Bother CO[C@]1(Nc2ccc(C=O)cc2)C(=O)c2ccccc2O[C@]1(OC)c1ccc([N+](=O)[O-])cc1 ZINC000001638886 IH Annotated Bother CCN(CC)CC[C@@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)C[C@H]1C ZINC000001639286 IH Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1OC ZINC000001643202 IH Annotated Anodyne CCOP(=O)(OCC)Oc1c(OC)c2[nH]c(C(=O)OC)cc2c2c(C(=O)O)c[nH]c12 ZINC000001647567 IH Annotated Anodyne Cc1cc2nc3nc(N)nc(NS(=O)(=O)c4cc(C)c(Cl)cc4S)n3c2cc1C ZINC000001650673 IH Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(NO)cc43)[nH]c2c(OC)c1OC ZINC000001651284 IH Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)[nH]c2cc1OCCN(C)C ZINC000001654941 IH Annotated Reactive O=c1c2c3c(sc2nc2n1sc1nc4sc5c(c4c(=O)n12)CCCC5)CCCC3 ZINC000001655369 IH Annotated Bother C/C=C/C[C@](C(=O)OCC)(N(C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000001656832 IH Annotated Anodyne C/C=C/C[C@@](C(=O)OCC)(N(C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000001656834 IH Annotated Anodyne CCOC(=O)CSc1nnc2cc(CN3CCCC3)c(-c3ccc(Cl)cc3)nn12 ZINC000001659244 IH Annotated Anodyne COC(=O)[C@@H](CC[C@H]1C=CN(S(=O)(=O)c2ccc(C)cc2)C1)/N=C/c1ccccc1 ZINC000001660169 IH Annotated Mild COc1ccc(C=O)cc1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000001662091 IH Annotated Mild C[C@H]1S/C(=N\N=C2\C(=O)Nc3ccc(Br)cc32)N(C2CCCCC2)C1=O ZINC000001662558 IH Annotated Mild COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccc2OC)C(=O)c2ccccc2C1=O ZINC000001663096 IH Annotated Clean COC(=O)c1c(O)ccc2c1c1c(n2-c2ccc(OC)cc2)C(=O)c2ccccc2C1=O ZINC000001663099 IH Annotated Clean COc1cc(Nc2nnc3n2S(=O)(=O)c2cc(C)c(Cl)cc2S3)cc(OC)c1 ZINC000001663283 IH Annotated Anodyne CCOC(=O)COc1nc(-c2cccs2)nc2ccc(I)cc12 ZINC000001663597 IH Annotated Anodyne c1ccc2c(Nc3ccc(C4=NCCN4)cc3)nnc(Nc3ccc(C4=NCCN4)cc3)c2c1 ZINC000001690154 IH Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000001730936 IH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000001813354 IH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000001813355 IH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000001813356 IH Annotated Anodyne CCCOc1ccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000001824915 IH Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000001860428 IH Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000001860436 IH Annotated Anodyne O=C1C[C@H](c2ccc(Cl)cc2)C2(C(=O)NC(=O)NC2=O)[C@@H](c2ccc(Cl)cc2)C1 ZINC000001860524 IH Annotated Anodyne O=c1c(Nc2ccccc2)cn(CCOc2ccccc2)c(=O)n1CCOc1ccccc1 ZINC000001861254 IH Annotated Anodyne COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1 ZINC000001862231 IH Annotated Reactive C[C@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000001863789 IH Annotated Anodyne COc1ccc(CCN2C(=O)C(=O)[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1OC ZINC000001864445 IH Annotated Anodyne COc1ccc(CCN2C(=O)C(=O)[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1OC ZINC000001864451 IH Annotated Anodyne COc1ccc(CCN2C(=O)C(=O)[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1OC ZINC000001864454 IH Annotated Anodyne COc1ccc(CCN2C(=O)C(=O)[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1OC ZINC000001864459 IH Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1 ZINC000001899562 IH Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1 ZINC000001899563 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1 ZINC000001899564 IH Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000001906689 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000015043563 IH Annotated Anodyne C=CCC1=C[C@](OC)([C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)C(OC)=CC1=O ZINC000015045016 IH Annotated Mild COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@]3(O)CC=C(C=O)[C@H](C=O)[C@@]23C)cc1 ZINC000015053798 IH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@@H]12 ZINC000015109883 IH Annotated Mild Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115458 IH Annotated Reactive in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115460 IH Annotated Reactive in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115462 IH Annotated Reactive in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115464 IH Annotated Reactive in-man endogenous C=C1CCC[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@H]2O[C@]2(C)CC[C@@H]1OC(C)=O ZINC000015157066 IH Annotated Mild CC(=O)Oc1cccc2c1C(=O)c1c(c(O)c3cc([C@H](C)OC(C)=O)ccc3c1O)C2=O ZINC000015205734 IH Annotated Clean CC1(C)CCc2cc([C@H]3Oc4c5c(cc(O)c4C(=O)[C@@H]3O)OC(C)(C)CC5)c(O)cc2O1 ZINC000015216498 IH Annotated Anodyne CC(=O)CC[C@@]1(C)C(=O)c2c(cc3cc(O)c4c(c3c2O)C[C@H](C)OC4=O)C(C)(C)C1=O ZINC000015252603 IH Annotated Anodyne CC(=O)O[C@@H](CC(=O)C[C@@H](OC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000015273934 IH Annotated Anodyne CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1 ZINC000150066374 IH Annotated Anodyne CCn1cnc2c(-c3ccc(O)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 ZINC000150098083 IH Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4C#N)c3)cnnc21 ZINC000150118084 IH Annotated Anodyne Cc1cc(-c2ccc3cc[nH]c3c2)ccc1-n1c(C[C@@H]2CCN(C(=O)C3CC3)C2)n[nH]c1=O ZINC000150151582 IH Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000153241394 IH Annotated Mild CCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)C1=O ZINC000153814230 IH Annotated Mild COC[C@@H]1Cc2cc(OC)c3c(c2[C@@H](c2ccc(OC)c(OC)c2)[C@H]1COC)OCO3 ZINC000015778311 IH Annotated Anodyne COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cc(OC)cc(OC)c1 ZINC000015786064 IH Annotated Anodyne COC1=C/C(=C/NNC(=O)c2ccc(-c3ccccc3)cc2)C=C(Br)C1=O ZINC000015836990 IH Annotated Reactive O=C(CNC(=O)c1ccc(Br)cc1)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000015880049 IH Annotated Clean CCOc1ccccc1NC(=O)c1c(NC(=O)CNC[C@@H]2CCCO2)sc2c1CCC2 ZINC000015919368 IH Annotated Anodyne CCOc1ccccc1NC(=O)c1c(NC(=O)CNC[C@H]2CCCO2)sc2c1CCC2 ZINC000015919369 IH Annotated Anodyne N#C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]2ON=C(c3cccc(Br)c3)[C@@H]2C1 ZINC000015924812 IH Annotated Mild Cc1ccc(OCc2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccccn3)no2)cc1C ZINC000015934805 IH Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ccccn3)no2)cc1C ZINC000015934806 IH Annotated Anodyne CCCCNC(=O)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCCC ZINC000015935436 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000015935641 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000015935648 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000015935730 IH Annotated Anodyne Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000015936206 IH Annotated Clean Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000015936207 IH Annotated Clean CSc1ccccc1OCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)no1 ZINC000015936393 IH Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)no1 ZINC000015936394 IH Annotated Anodyne COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1ccc(F)cc1)C2 ZINC000015936524 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000015936657 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000015936663 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000015936676 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000015936679 IH Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1CCc1ccccc1 ZINC000015937409 IH Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000015937486 IH Annotated Clean NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000015937487 IH Annotated Clean CC(=O)N1CCC2(CC1)C/C(=N\NC(=S)Nc1ccccc1C)c1cc(O)ccc1O2 ZINC000015953249 IH Annotated Mild O=[N+]([O-])c1ccccc1/C=C/C=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000015962135 IH Annotated Mild COc1ccc(-c2cn3c([n+]2-c2c(C)n(C)n(-c4ccccc4)c2=O)CCCCC3)cc1 ZINC000015962385 IH Annotated Anodyne O=C(N/N=C\c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccco1 ZINC000015985351 IH Annotated Reactive COc1ccc2[nH]c3c(=O)n(/N=C\c4ccc(OC)c(CN5CCCC5)c4)c(C)nc3c2c1 ZINC000015985581 IH Annotated Mild CCCC(=O)c1c(O)c(C)c(OC)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O ZINC000155207005 IH Annotated Mild CCCC(=O)c1c(O)cc(OC)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O ZINC000155340975 IH Annotated Mild CCOc1ccccc1OCCCC(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000016046681 IH Annotated Anodyne COc1ccc(CN2C(=O)[C@H]3[C@H]([C@@H]4CCCN4[C@H]3c3ccc(C(=N)N)cc3)[C@H]2C(C)C)cc1 ZINC000016051886 IH Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](C(F)F)[C@H]3[C@@H]3CCCN32)cc1 ZINC000016051910 IH Annotated Anodyne O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000016052356 IH Annotated Anodyne in-vivo CCc1cc(OCC(C)(C)CN(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 ZINC000016052582 IH Annotated Anodyne C[N+]1(C)CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000163220064 IH Annotated Bother C[N+]1(C)CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000163220174 IH Annotated Bother C[C@@H]1CCC[C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000163221672 IH Annotated Anodyne C[C@H]1CCC[C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000163221803 IH Annotated Anodyne C[C@@H]1CCC[C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000163221926 IH Annotated Anodyne C[C@H]1CCC[C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000163222056 IH Annotated Anodyne O=C(Cc1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000016694337 IH Annotated Mild Cc1ccnc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)cc4)c3n2)c1 ZINC000165291238 IH Annotated Anodyne Cc1cc(O)c(-c2ccc([C@@H](C)CS(N)(=O)=O)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000165407973 IH Annotated Anodyne Cc1cc(O)c(-c2ccc([C@H](C)CS(N)(=O)=O)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000165408107 IH Annotated Anodyne C=C(C)[C@@H]1C[C@@H](OC(C)=O)C2=C[C@H](C[C@@]3(C)O[C@@H]3c3cc(C)c(o3)[C@H]1OC(C)=O)OC2=O ZINC000165566987 IH Annotated Mild COc1cc(OC)cc(-n2nc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3c2=O)c1 ZINC000166122981 IH Annotated Anodyne COc1cc(OC)cc(-n2nc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3c2=O)c1 ZINC000166123115 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)CN=C(c1ccccc1)c1ccccc1)[C@@H]3C2 ZINC000166318514 IH Annotated Mild CC(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C/C(C)=C/CC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@@H]1OC(C)=O ZINC000166476167 IH Annotated Anodyne CC(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C/C(C)=C/CC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@@H]1OC(C)=O ZINC000166476303 IH Annotated Anodyne CC1(C)[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]31[C@]1(C)O[C@@H]1[C@H]2O ZINC000166526776 IH Annotated Reactive CC(=O)O[C@@H]1O[C@@H]2OC(=O)C[C@]2(OC(C)=O)[C@@H]1[C@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000166766212 IH Annotated Anodyne CC(=O)[C@@](O)(C[C@@H](Br)C(C)(C)O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000166789341 IH Annotated Reactive C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](Cl)N=C2)c1 ZINC000166956350 IH Annotated Reactive C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](Cl)N=C2)c1 ZINC000166956461 IH Annotated Reactive C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Cl)N=C2)c1 ZINC000166956569 IH Annotated Reactive C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Cl)N=C2)c1 ZINC000166956679 IH Annotated Reactive Cc1ccc(-c2c(F)cccc2C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)nc1 ZINC000167115380 IH Annotated Anodyne Cc1ccc(-c2c(F)cccc2C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)nc1 ZINC000167115486 IH Annotated Anodyne Cc1ccc(-c2c(F)cccc2C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)nc1 ZINC000167115593 IH Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1 ZINC000167180388 IH Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4-c4ccccc4)C[C@@H]3C2)n1 ZINC000167180485 IH Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1 ZINC000167180591 IH Annotated Anodyne Cc1cccc(-c2c(F)cccc2C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)n1 ZINC000167195688 IH Annotated Anodyne Cc1cccc(-c2c(F)cccc2C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)n1 ZINC000167195803 IH Annotated Anodyne Cc1cccc(-c2c(F)cccc2C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)n1 ZINC000167195906 IH Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167383478 IH Annotated Mild O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1 ZINC000167844361 IH Annotated Anodyne O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1 ZINC000167844470 IH Annotated Anodyne COc1ccc([C@@H](O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2F)cc1 ZINC000168086342 IH Annotated Anodyne COc1ccc([C@H](O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2F)cc1 ZINC000168086469 IH Annotated Anodyne CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000168193169 IH Annotated Anodyne CC(C)(O)CSc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000168195024 IH Annotated Anodyne COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1 ZINC000168264381 IH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)C[C@@H](N)[C@H]1O ZINC000168398843 IH Annotated Anodyne CC[C@@H](CO)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000168667606 IH Annotated Anodyne CC[C@H](CO)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000168667695 IH Annotated Anodyne CC[C@@H](CO)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000168667776 IH Annotated Anodyne CC[C@H](CO)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000168667870 IH Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)N2CCSCC2)cn1 ZINC000168739920 IH Annotated Anodyne Cc1ncnn1-c1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000169250741 IH Annotated Anodyne Cc1ncn(-c2ncccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1 ZINC000169250906 IH Annotated Anodyne Cc1ccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(-n2cncn2)n1 ZINC000169255010 IH Annotated Anodyne CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169290221 IH Annotated Anodyne CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169290222 IH Annotated Anodyne CC(=O)N1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169291024 IH Annotated Anodyne CC(=O)N1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169291025 IH Annotated Anodyne CCC(=O)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@@]21C ZINC000169291296 IH Annotated Mild C=C(CCC[C@@H](O)C[C@@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C\[C@H](O)CCCC(=O)O1 ZINC000169292758 IH Annotated Mild C=C(CCC[C@H](O)C[C@@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C\[C@H](O)CCCC(=O)O1 ZINC000169292759 IH Annotated Mild O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000169293077 IH Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000169293078 IH Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000169293079 IH Annotated Anodyne Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1cn(Cc3ccccc3)cc1-2 ZINC000169295117 IH Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F ZINC000169295133 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@@H]3CO3)c3oc(=O)c(C(C)(C)[C@H]4CO4)cc13)OC(C)(C)[C@H]1O[C@@H]21 ZINC000169296841 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@H]3CO3)c3oc(=O)c(C(C)(C)[C@@H]4CO4)cc13)OC(C)(C)[C@H]1O[C@@H]21 ZINC000169296842 IH Annotated Anodyne CC1=C[C@@H]([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000169301214 IH Annotated Anodyne CC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000169301215 IH Annotated Anodyne CC1=C[C@H]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000169301217 IH Annotated Anodyne Cc1ccc(N/C(S)=N\C[C@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 ZINC000169301895 IH Annotated Mild Cc1cc(C)c2nc(O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000169302232 IH Annotated Anodyne C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@H]2O)OC1(C)C ZINC000169302237 IH Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@H]2O)OC1(C)C ZINC000169302238 IH Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(NC(C)=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000169302484 IH Annotated Mild CCN1CCN(C2=C(Nc3cccc(Br)c3)C(=O)c3ccccc3C2=O)CC1 ZINC000169302783 IH Annotated Mild CN1[C@H]2Cc3cnc4c(-c5ccc(Cl)c(O)c5)c(-c5ccncc5)nn4c3[C@H]1C[C@H]2CO ZINC000169303096 IH Annotated Anodyne CN1[C@H]2C[C@@H](CO)[C@@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000169303098 IH Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\N=C3/NC(=O)CS3)[C@H]2C)cc1 ZINC000169303325 IH Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\N=C3/NC(=O)CS3)[C@@H]2C)cc1 ZINC000169303327 IH Annotated Mild CCN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000169304047 IH Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000169304414 IH Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@@H]3CO)cc2)c1 ZINC000169304807 IH Annotated Mild COC(=O)[C@@H]1C(=O)/C(=C(/O)OC)[C@@H](c2ccc(C)cc2)C(C#N)(C#N)[C@@H]1c1ccc(C)cc1 ZINC000169304895 IH Annotated Mild CC1=C[C@@H]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000169306159 IH Annotated Anodyne CC1=C[C@@H]([C@H]2CC(=O)N(c3ccccc3C)C2=O)C[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000169306160 IH Annotated Anodyne CC1=C[C@H]([C@H]2CC(=O)N(c3ccccc3C)C2=O)C[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000169306163 IH Annotated Anodyne Cc1ccc[n+]([C@@H]2[C@@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@@]2(O)c2ccccc2)c1 ZINC000169308056 IH Annotated Reactive Cc1ccc[n+]([C@H]2[C@@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@@]2(O)c2ccccc2)c1 ZINC000169308057 IH Annotated Reactive Cc1ccc[n+]([C@@H]2[C@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@@]2(O)c2ccccc2)c1 ZINC000169308060 IH Annotated Reactive Cc1ccc[n+]([C@H]2[C@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@@]2(O)c2ccccc2)c1 ZINC000169308061 IH Annotated Reactive CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1 ZINC000169310072 IH Annotated Anodyne CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cnn2)c1 ZINC000169310073 IH Annotated Anodyne C[C@@H](O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1 ZINC000169311743 IH Annotated Mild C[C@H](O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1 ZINC000169311744 IH Annotated Mild Cc1ccc(Oc2nc3ccccc3cc2/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 ZINC000169311898 IH Annotated Reactive Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc2ccccc2nc1Oc1ccc(F)cc1 ZINC000169311901 IH Annotated Reactive COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000169313753 IH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000169313754 IH Annotated Mild C=CCO[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H]2C[C@@H]1N(C(=O)OCC)N2C(=O)OCC ZINC000169314881 IH Annotated Mild C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1 ZINC000169317753 IH Annotated Anodyne C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1 ZINC000169317754 IH Annotated Anodyne C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1 ZINC000169317755 IH Annotated Anodyne C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1 ZINC000169317757 IH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1[C@@](O)(C(=O)O)[C@@]1(C)C[C@@]34O[C@@H]3C[C@@H](c3ccoc3)[C@@H]4C[C@@H]12 ZINC000169318658 IH Annotated Mild CS(=O)(=O)Nc1ccc(Cl)cc1-c1cc2cc(Cl)ccc2n1S(C)(=O)=O ZINC000169321777 IH Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 ZINC000169321885 IH Annotated Bother COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 ZINC000169321890 IH Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322071 IH Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322073 IH Annotated Bother CCCSc1nc(N2CCC[C@@H](Cc3nnn[nH]3)C2)ccc1C(=O)NC1CCCCC1 ZINC000169322454 IH Annotated Anodyne O=C(c1cc(-c2ccccc2I)c2ccccc2n1)N1CCOCC1 ZINC000169322703 IH Annotated Anodyne C[N+](C)(CCS)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CCS)cc2)cc1 ZINC000169323177 IH Annotated Mild COc1ccnc(OC)c1NC(=O)C(=O)c1cc(Cc2ccc(C#N)cc2)n2ccccc12 ZINC000169323283 IH Annotated Mild CCN(CC)CC(=O)Nc1c(C[C@@H]2c3ccccc3CCN2C)ccc(OC)c1OC ZINC000169323677 IH Annotated Anodyne CCN(CC)CC(=O)Nc1c(C[C@H]2c3ccccc3CCN2C)ccc(OC)c1OC ZINC000169323679 IH Annotated Anodyne CCN1CNS(=O)(=O)c2cc(C(=O)Oc3ccccc3OCc3ccccc3)ccc21 ZINC000169325226 IH Annotated Anodyne Cc1[nH]n(-c2ccc(O)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169325442 IH Annotated Clean O=C1N[C@@H]2[C@@H](NCc3ccc(Cl)cc3)CCC[C@H]2N(Cc2ccc(Cl)cc2)C1=O ZINC000169325646 IH Annotated Anodyne CCCCNc1c(-c2ccc(N(CCO)CCO)cc2)nc2ccc(Br)cn12 ZINC000169326555 IH Annotated Anodyne O=C(NCCn1cc(Cc2c(Br)[nH]c3ccccc23)nn1)c1ccccc1F ZINC000169328202 IH Annotated Anodyne COC[C@@H](COc1cc(C(F)(F)F)nn1C)NCc1cc2ccccc2nc1Cl ZINC000169328796 IH Annotated Anodyne COC[C@H](COc1cc(C(F)(F)F)nn1C)NCc1cc2ccccc2nc1Cl ZINC000169328798 IH Annotated Anodyne CCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1 ZINC000169329227 IH Annotated Anodyne CCCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3cccs3)[nH]c2=O)cc1C ZINC000169331069 IH Annotated Anodyne Cc1cc(S(=O)(=O)n2cc(-c3cccs3)[nH]c2=O)ccc1NC(=O)OCC(C)C ZINC000169331073 IH Annotated Anodyne CCN(CC)c1ccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331404 IH Annotated Bother O=[N+]([O-])c1cc(CSc2nnnn2-c2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000169331405 IH Annotated Bother CCC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(Br)C1=O ZINC000169332085 IH Annotated Anodyne COc1ccc(Cn2c(=O)c3c(n4nnnc24)-c2cc(F)ccc2CC32CCCC2)cc1 ZINC000169332324 IH Annotated Anodyne C=CC[C@@H]1C=C[C@@H](O/N=C(\C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@@H](CO)O1 ZINC000169332455 IH Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(/C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@@H](CO)O1 ZINC000169332456 IH Annotated Mild CN1CCC(=O)[C@@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000169332737 IH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000169332742 IH Annotated Anodyne Cc1cc(C)cc(OC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000169333486 IH Annotated Mild COc1cc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCOCC2)cc(OC)c1 ZINC000169333750 IH Annotated Anodyne COc1cc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCOCC2)cc(OC)c1 ZINC000169333753 IH Annotated Anodyne Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cccc(N)c3C2=O)c1 ZINC000169334577 IH Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccc(N)cc3C2=O)c1 ZINC000169334579 IH Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cc(N)ccc3C2=O)c1 ZINC000169334581 IH Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(N)cccc3C2=O)c1 ZINC000169334583 IH Annotated Mild O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1C1CC1 ZINC000169335753 IH Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1C1CC1 ZINC000169335756 IH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000169336552 IH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000169336555 IH Annotated Anodyne O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1F)c1cccc2c1OCCO2 ZINC000169337255 IH Annotated Bother O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc(F)c1)c1cccc2c1OCCO2 ZINC000169337258 IH Annotated Bother O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc(F)cc1)c1cccc2c1OCCO2 ZINC000169337260 IH Annotated Bother COC(=O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)c1 ZINC000169340908 IH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000169341068 IH Annotated Anodyne NC(=S)N/N=C1/C=C(Nc2ccccc2Cl)C(Nc2ccccc2Cl)=NC1=O ZINC000169341074 IH Annotated Mild NC(=S)N/N=C1/C=C(Nc2cccc(Cl)c2)C(Nc2cccc(Cl)c2)=NC1=O ZINC000169341076 IH Annotated Mild NC(=S)N/N=C1/C=C(Nc2ccc(Cl)cc2)C(Nc2ccc(Cl)cc2)=NC1=O ZINC000169341078 IH Annotated Mild Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2cnccc12 ZINC000169341701 IH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000169342249 IH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000169342252 IH Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)NCC5CC5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342737 IH Annotated Anodyne CCOC(=O)[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169343040 IH Annotated Mild CCOC(=O)[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169343041 IH Annotated Mild CCOC(=O)[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169343042 IH Annotated Mild CCOC(=O)[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169343044 IH Annotated Mild COC(=O)c1cccc2c1ccn2-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O ZINC000169343535 IH Annotated Anodyne CNC(=O)c1cccc2c1ccn2-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O ZINC000169343536 IH Annotated Anodyne CC1(C)COC(=O)/C=C\C=C/CCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000169344424 IH Annotated Anodyne CC1(C)COC(=O)/C=C\C=C\CCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000169344426 IH Annotated Anodyne Cc1ccc(CN2C(=O)CCC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345815 IH Annotated Anodyne Cc1ccc(CN2C(=O)CCC[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345821 IH Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCCO2 ZINC000169345992 IH Annotated Anodyne O=C1NCC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)O1 ZINC000169346008 IH Annotated Anodyne C=CCc1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(C(F)(F)F)cc12 ZINC000169346626 IH Annotated Mild C=CCc1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(C(F)(F)F)cc12 ZINC000169346627 IH Annotated Mild O=C1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1 ZINC000169346690 IH Annotated Anodyne C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccccn1 ZINC000169346932 IH Annotated Mild CC(C)(O)[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 ZINC000169347466 IH Annotated Anodyne CC(C)(O)[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 ZINC000169347468 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](CC[C@@H](O)[C@]2(C)O)[C@](C)(CCC2=CC(=O)OC2)[C@@H]1C ZINC000169348825 IH Annotated Anodyne CC(C)c1nc2c(s1)S(=O)(=O)CC(=O)N2Cc1ccc(F)c(OC(F)(F)F)c1 ZINC000169348911 IH Annotated Anodyne CCN(CC)CCOc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C)c1 ZINC000169348938 IH Annotated Anodyne CC(C)OCCOc1ccc(-c2cnc(COc3ncccc3C(N)=O)nc2)c(Cl)c1 ZINC000169348943 IH Annotated Anodyne COC(=O)c1c2cc[n+](CCCNC(=O)N(C)N=O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000169350013 IH Annotated Reactive C[C@H]1COC2(CCN(S(=O)(=O)c3cc(-c4ccccn4)cc(C(F)(F)F)c3)CC2)O1 ZINC000169350161 IH Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2C[C@@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169350251 IH Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2C[C@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169350252 IH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000169350258 IH Annotated Clean CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000169350259 IH Annotated Clean Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c1 ZINC000169350395 IH Annotated Clean C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169350822 IH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169350823 IH Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169350824 IH Annotated Anodyne Nc1nc2ccc(O[C@@H]3CCOC3)nc2n1C[C@@H](O)c1ccc(C(F)(F)F)cc1Cl ZINC000169351127 IH Annotated Anodyne Nc1nc2ccc(O[C@H]3CCOC3)nc2n1C[C@@H](O)c1ccc(C(F)(F)F)cc1Cl ZINC000169351128 IH Annotated Anodyne Nc1nc2ccc(O[C@@H]3CCOC3)nc2n1C[C@H](O)c1ccc(C(F)(F)F)cc1Cl ZINC000169351130 IH Annotated Anodyne Nc1nc2ccc(O[C@H]3CCOC3)nc2n1C[C@H](O)c1ccc(C(F)(F)F)cc1Cl ZINC000169351132 IH Annotated Anodyne Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)[nH]c4cc(F)c(F)cc24)C3)c1C ZINC000169351701 IH Annotated Anodyne Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)n(C)c4cc(F)c(F)cc24)C3)c1C ZINC000169351706 IH Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(-c4ccccc4)[nH]c(=O)c2)C3)c1Cl ZINC000169351708 IH Annotated Anodyne O=C(NCc1ccc(F)cc1F)c1c(NC2CCCCCC2)c2cccnc2n(O)c1=O ZINC000169352006 IH Annotated Anodyne CCOC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2CCCN1CCCC1=O ZINC000169353531 IH Annotated Bother CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(COCC34CC5CC(CC(C5)C3)C4)nn2)O1 ZINC000169353716 IH Annotated Mild C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354636 IH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354637 IH Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354638 IH Annotated Anodyne C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCC2=CC(C(N)=O)=CC[C@@H]21 ZINC000169355587 IH Annotated Anodyne COC(=O)[C@@H]1O[C@@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@@H](C)[C@@H]2O[C@@]21C ZINC000169356312 IH Annotated Anodyne COC(=O)[C@H]1O[C@@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@@H](C)[C@@H]2O[C@]12C ZINC000169356313 IH Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@@H](C)[C@@H]2O[C@@]21C ZINC000169356314 IH Annotated Anodyne COC(=O)[C@H]1O[C@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@@H](C)[C@@H]2O[C@]12C ZINC000169356315 IH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2Cl)[nH]n1 ZINC000169356323 IH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2Cl)[nH]n1 ZINC000169356324 IH Annotated Anodyne CC[C@@H](C)c1cccc2c1O[P@@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000169359532 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000169359533 IH Annotated Anodyne CC[C@@H](C)c1cccc2c1O[P@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000169359534 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@@H]1C[C@@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000169361514 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000169361515 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@]1(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]1[C@@H]2C ZINC000169361540 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]1[C@@H]2C ZINC000169361543 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@]1(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]1[C@@H]2C ZINC000169361544 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]1[C@@H]2C ZINC000169361545 IH Annotated Anodyne C=C(C)[C@H]1C/C2=C(/C(=O)OC)[C@@H](O[C@@H](C)CC)C(=O)/C=C(\C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000169363492 IH Annotated Mild C=C(C)[C@H]1C/C2=C(/C(=O)OC)[C@@H](O[C@@H](C)CC)C(=O)/C=C(/C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000169363493 IH Annotated Mild CC[C@@H](C)c1ccc2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000169364735 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000169364736 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000169364737 IH Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@H]31 ZINC000169366838 IH Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000169366839 IH Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000169366840 IH Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000169366841 IH Annotated Anodyne O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC000169368382 IH Annotated Bother O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC000169368383 IH Annotated Bother CO[C@@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169371383 IH Annotated Anodyne CO[C@]12C=C[C@@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169371384 IH Annotated Anodyne CO[C@@]12C=C[C@@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169371385 IH Annotated Anodyne COC(=O)c1ccccc1S[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169372585 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000169373111 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000169373112 IH 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)CCC(=O)O)[C@@]13C(=O)O ZINC000169373113 IH Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C[C@@H]5O[C@@]54[C@@H]3CC[C@@]2(O)C1 ZINC000169373532 IH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C[C@@H]5O[C@@]54[C@@H]3CC[C@@]2(O)C1 ZINC000169373533 IH Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](c5ccc(=O)oc5)C[C@@H]5O[C@@]54[C@@H]3CC[C@@]2(O)C1 ZINC000169373534 IH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](c5ccc(=O)oc5)C[C@@H]5O[C@@]54[C@@H]3CC[C@@]2(O)C1 ZINC000169373535 IH Annotated Anodyne CC1(C)O[C@](C)([C@@]2(O)CC[C@](C)(Cl)[C@@H](Br)C2)[C@H](O)C[C@H]1Br ZINC000169654049 IH Annotated Reactive C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@@]4(O)[C@@H]3CN2C1 ZINC000169672613 IH Annotated Anodyne CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 ZINC000169684951 IH Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 ZINC000169684952 IH Annotated Anodyne CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000169684953 IH Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000169684954 IH Annotated Anodyne C[C@@H](NC(=S)/C=C/c1ccc(O)c(O)c1Br)c1cc(O)c(O)c(O)c1 ZINC000169685059 IH Annotated Clean C[C@H](NC(=S)/C=C/c1ccc(O)c(O)c1Br)c1cc(O)c(O)c(O)c1 ZINC000169685060 IH Annotated Clean CC(C)(C)C(=O)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169685403 IH Annotated Anodyne C=c1[nH]n(-c2ccc(Cl)c(C(=O)O)c2)c(=O)/c1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000169685503 IH Annotated Anodyne C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2/c1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 ZINC000169685595 IH Annotated Mild CC[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 ZINC000169687035 IH Annotated Anodyne COc1ccc(CNc2nc(N(C)C[C@@H](O)c3ccccc3)nc3c2NCN3C(C)C)cc1 ZINC000169687098 IH Annotated Anodyne CCOc1cc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687174 IH Annotated Anodyne CCOc1cc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687175 IH Annotated Anodyne CCOc1cc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687176 IH Annotated Anodyne CCOc1cc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687177 IH Annotated Anodyne CCOc1cc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687198 IH Annotated Anodyne CCOc1cc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687199 IH Annotated Anodyne CCOc1cc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687200 IH Annotated Anodyne CCOc1cc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687201 IH Annotated Anodyne CCCOc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000169687318 IH Annotated Anodyne CCCOc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000169687319 IH Annotated Anodyne CCCOc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000169687320 IH Annotated Anodyne CCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(Cn3nnc4ccccc43)c1)[C@@H](C#N)C(=N)O2 ZINC000169687423 IH Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(Cn3nnc4ccccc43)c1)[C@@H](C#N)C(=N)O2 ZINC000169687424 IH Annotated Mild CCn1/c(=N/C(=O)c2ccc(-n3c(O)ccc3O)cc2)sc2c(OC)ccc(OC)c21 ZINC000169687657 IH Annotated Anodyne CCOC(=O)N1CCC2(CC1)c1c(C)nn(-c3cccc(Cl)c3)c1OC(=N)[C@@H]2C#N ZINC000169687854 IH Annotated Mild CCOC(=O)N1CCC2(CC1)c1c(C)nn(-c3cccc(Cl)c3)c1OC(=N)[C@H]2C#N ZINC000169687855 IH Annotated Mild CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000169687871 IH Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000169687872 IH Annotated Anodyne O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)Sc2[nH]c(=O)c(-c3ccccc3)n[n+]21 ZINC000169688051 IH Annotated Clean CCOc1cc([C@@H]2NC(=O)N[C@@H](c3cccnc3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688204 IH Annotated Anodyne CCOc1cc([C@H]2NC(=O)N[C@@H](c3cccnc3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688205 IH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N[C@H](c3cccnc3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688206 IH Annotated Anodyne CCOc1cc([C@H]2NC(=O)N[C@H](c3cccnc3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688207 IH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N[C@@H](c3cccnc3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688208 IH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N[C@H](c3cccnc3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688209 IH Annotated Anodyne CCOc1cc([C@H]2NC(=O)N[C@@H](c3cccnc3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688211 IH Annotated Anodyne CCOc1cc([C@H]2NC(=O)N[C@H](c3cccnc3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688212 IH Annotated Anodyne CCN(CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000169688240 IH Annotated Anodyne CCN(CC)CCCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000169688241 IH Annotated Anodyne Cc1cc(C)cc(-n2c(O)c(/C=N/c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=S)c1 ZINC000169688684 IH Annotated Mild COc1cc([C@@H]2c3c(-c4cccnc4)n[nH]c3OC(=N)[C@@H]2C#N)cc(Br)c1O ZINC000169688838 IH Annotated Mild COc1cc([C@H]2c3c(-c4cccnc4)n[nH]c3OC(=N)[C@@H]2C#N)cc(Br)c1O ZINC000169688839 IH Annotated Mild COc1ccc([C@@H]2C3=C(CCCC3=O)OC(=N)[C-]2C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000169688850 IH Annotated Mild COc1ccc([C@H]2C3=C(CCCC3=O)OC(=N)[C-]2C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000169688851 IH Annotated Mild COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(=N)[C-]2C#N)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000169688858 IH Annotated Mild COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(=N)[C-]2C#N)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000169688859 IH Annotated Mild CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000169689003 IH Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000169689004 IH Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)s1 ZINC000169689005 IH Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)s1 ZINC000169689006 IH Annotated Anodyne C=CCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 ZINC000169689007 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 ZINC000169689008 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 ZINC000169689009 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 ZINC000169689010 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000169689018 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000169689019 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000169689020 IH Annotated Mild C=CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000169689021 IH Annotated Mild CCCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000169689030 IH Annotated Anodyne CCCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000169689031 IH Annotated Anodyne CCCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000169689032 IH Annotated Anodyne CCCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000169689033 IH Annotated Anodyne CSc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000169689034 IH Annotated Anodyne CSc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000169689035 IH Annotated Anodyne CSc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000169689036 IH Annotated Anodyne CSc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000169689037 IH Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=N\N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@@H]65)[C@H]4C3=O)o2)ccc1Cl ZINC000169689111 IH Annotated Mild O=C(O)c1cc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@@H]65)[C@H]4C3=O)o2)ccc1Cl ZINC000169689112 IH Annotated Mild O=C(O)c1cc(-c2ccc(/C=N\N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@@H]43)o2)ccc1Cl ZINC000169689113 IH Annotated Mild O=C(O)c1cc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@@H]43)o2)ccc1Cl ZINC000169689114 IH Annotated Mild COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C(C)=N/c1ccc(OC)cc1 ZINC000169689169 IH Annotated Mild O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(-n2c(O)ccc2O)c1 ZINC000169689637 IH Annotated Anodyne CNC(=O)c1c(NC(=O)c2ccc(-n3c(O)ccc3O)cc2)sc2c1CC[C@@H](C)C2 ZINC000169689638 IH Annotated Anodyne CNC(=O)c1c(NC(=O)c2ccc(-n3c(O)ccc3O)cc2)sc2c1CC[C@H](C)C2 ZINC000169689639 IH Annotated Anodyne COc1cc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O ZINC000169689671 IH Annotated Clean COc1cccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169690097 IH Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169690098 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(c4cc(C)on4)[C@@H]3c3cccs3)oc12 ZINC000169690246 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(c4cc(C)on4)[C@@H]3c3cccs3)oc12 ZINC000169690247 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(c4cc(C)on4)[C@H]3c3cccs3)oc12 ZINC000169690248 IH Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(c4cc(C)on4)[C@H]3c3cccs3)oc12 ZINC000169690249 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1 ZINC000169690250 IH Annotated Anodyne N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1 ZINC000169691074 IH Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1 ZINC000169691075 IH Annotated Mild CCOC(=O)[C@@H]1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000169691223 IH Annotated Anodyne CCOC(=O)[C@H]1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000169691224 IH Annotated Anodyne CCOC(=O)[C@@H]1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000169691225 IH Annotated Anodyne CCOC(=O)[C@H]1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000169691226 IH Annotated Anodyne C[C@@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000169691424 IH Annotated Anodyne C[C@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000169691425 IH Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000169691851 IH Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000169691852 IH Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000169691853 IH Annotated Anodyne COc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000169691854 IH Annotated Anodyne O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000169692263 IH Annotated Reactive CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)s1 ZINC000169692331 IH Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)s1 ZINC000169692332 IH Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)s1 ZINC000169692333 IH Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)s1 ZINC000169692334 IH Annotated Anodyne CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000169692847 IH Annotated Mild O=C(O)c1cc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@H]6C[C@@H]65)[C@H]4C3=O)o2)ccc1Cl ZINC000169693878 IH Annotated Mild O=c1c([N+](=O)[O-])ccc[c-]1/C=N/n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000169693963 IH Annotated Mild CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694343 IH Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694344 IH Annotated Anodyne COCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@@H]3N4)ccc21 ZINC000169694777 IH Annotated Anodyne COCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@@H]3N4)ccc21 ZINC000169694778 IH Annotated Anodyne COCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@H]3N4)ccc21 ZINC000169694779 IH Annotated Anodyne COCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@H]3N4)ccc21 ZINC000169694780 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(F)(F)F)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694827 IH Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(F)(F)F)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694828 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(F)(F)F)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694830 IH Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(F)(F)F)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694831 IH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1cccc2c1OCO2 ZINC000169694942 IH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1cccc2c1OCO2 ZINC000169694943 IH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1cccc2c1OCO2 ZINC000169694944 IH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1cccc2c1OCO2 ZINC000169694945 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169694998 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169694999 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695000 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695001 IH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccc[n+]1[O-] ZINC000169695059 IH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccc[n+]1[O-] ZINC000169695060 IH Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccc[n+]1[O-] ZINC000169695061 IH Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1cccc[n+]1[O-] ZINC000169695062 IH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695343 IH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695344 IH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695345 IH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695346 IH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695446 IH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695447 IH Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695449 IH Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695451 IH Annotated Anodyne CN/C(=C1/C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccc[nH]c1=O)C(C)C ZINC000169695556 IH Annotated Mild CN/C(=C1/C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccc[nH]c1=O)C(C)C ZINC000169695557 IH Annotated Mild COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695745 IH Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695746 IH Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695747 IH Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695748 IH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696313 IH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696314 IH Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696315 IH Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696316 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCCCO)cc1 ZINC000169696317 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCCCO)cc1 ZINC000169696318 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]2c2ccccc2OCCCO)cc1 ZINC000169696319 IH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]2c2ccccc2OCCCO)cc1 ZINC000169696320 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696525 IH Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696526 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696527 IH Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000169696529 IH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)c4cc[nH]c4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000169696615 IH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)c4cc[nH]c4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000169696616 IH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)c4cc[nH]c4)[C@H]3C3CCCCC3)cc2)no1 ZINC000169696617 IH Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)c4cc[nH]c4)[C@H]3C3CCCCC3)cc2)no1 ZINC000169696618 IH Annotated Anodyne CSc1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3[C@H]2c2cccnc2OCCO)cc1 ZINC000169696803 IH Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696807 IH Annotated Anodyne O=C(CC1COC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697206 IH Annotated Anodyne CC(C)(O)CC(=O)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697212 IH Annotated Anodyne O=C(CC1(O)CCC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697218 IH Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CCCO1 ZINC000169697219 IH Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CCCO1 ZINC000169697220 IH Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CCOC1 ZINC000169697221 IH Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CCOC1 ZINC000169697222 IH Annotated Anodyne CC1(C(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)COC1 ZINC000169697243 IH Annotated Anodyne CC(C)(O)C[C@]1(c2ccccc2)CCN([C@H]2CCCN(c3ccc4ncnn4c3)C2)C(=O)O1 ZINC000169697455 IH Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCC(n3cc(OC=O)c4ccccc43)CC2)cc1 ZINC000169699814 IH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC3CCC3)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000169700421 IH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC3CCC3)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000169700422 IH Annotated Anodyne COc1ccc([C@@H](O)/N=C2\C=CC[C@@H](CNc3ncnc4c(C(N)=O)cccc34)C2)cc1C ZINC000169700711 IH Annotated Mild COc1ccc([C@H](O)/N=C2\C=CC[C@@H](CNc3ncnc4c(C(N)=O)cccc34)C2)cc1C ZINC000169700712 IH Annotated Mild COc1ccc([C@@H](O)/N=C2\C=CC[C@H](CNc3ncnc4c(C(N)=O)cccc34)C2)cc1C ZINC000169700713 IH Annotated Mild COc1ccc([C@H](O)/N=C2\C=CC[C@H](CNc3ncnc4c(C(N)=O)cccc34)C2)cc1C ZINC000169700714 IH Annotated Mild CNC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccc(F)cc4n3)C2)cc1F ZINC000169701457 IH Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)cc1F ZINC000169701459 IH Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4cc(F)ccc4n3)C2)cc1F ZINC000169701462 IH Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ncc(Cl)cc4n3)C2)cc1F ZINC000169701463 IH Annotated Anodyne O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3ccccn3)CC2)c2cc(F)ccc2c1 ZINC000169701466 IH Annotated Anodyne O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3cccnc3)CC2)c2cc(F)ccc2c1 ZINC000169701467 IH Annotated Anodyne O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3ccncc3)CC2)c2cc(F)ccc2c1 ZINC000169701468 IH Annotated Anodyne OC1CN(c2cc(Nc3ncnc4nc(-c5c(Cl)cccc5Cl)sc34)ncn2)C1 ZINC000169701530 IH Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CC[C@@H](O)[C@H](OCC(F)(F)F)C2 ZINC000169702037 IH Annotated Anodyne O=C1N(c2ccc(OCC(F)(F)F)cc2)CC[C@@]12CC[C@@H](O)[C@H](OCC(F)(F)F)C2 ZINC000169702042 IH Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CC[C@H](O)[C@@H](OCC(F)(F)F)C2 ZINC000169702049 IH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)n1 ZINC000169702267 IH Annotated Anodyne COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)cn1 ZINC000169702270 IH Annotated Anodyne C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN(C)C)n3)ncc21 ZINC000169702275 IH Annotated Anodyne C[C@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN(C)C)n3)ncc21 ZINC000169702276 IH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N/c1ccc(CN(C)C)cc1C ZINC000169702604 IH Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N/c1ccc(CN(C)C)cc1C ZINC000169702605 IH Annotated Mild COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cn(C)c2c1 ZINC000169702662 IH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702726 IH Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702727 IH Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3ccn(C)n3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702728 IH Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3ccn(C)n3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702729 IH Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702730 IH Annotated Anodyne CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702731 IH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702732 IH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702733 IH Annotated Anodyne CCOc1cc(C2=NC(=O)N[C@@H](c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702742 IH Annotated Bother CCOc1cc(C2=NC(=O)N[C@H](c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702743 IH Annotated Bother CCOc1cc(C2=NC(=O)N[C@@H](c3ccn(C)n3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702744 IH Annotated Bother CCOc1cc(C2=NC(=O)N[C@H](c3ccn(C)n3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702745 IH Annotated Bother N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(Cc5ccc(F)cc5)cc4s3)o2)CC1 ZINC000169702909 IH Annotated Mild COC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000169703413 IH Annotated Mild CC(C)(C)n1c(-c2cc(F)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169703417 IH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703508 IH Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCCN4CCNCC4)ncc3Cl)n2)c1 ZINC000169703764 IH Annotated Anodyne CN1CCC(CNc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703792 IH Annotated Anodyne OC[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703809 IH Annotated Anodyne NC[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703813 IH Annotated Anodyne CN(CC1CCOCC1)c1cncc(-c2cc(N[C@@H]3CC[C@@H](O)CC3)ncc2Cl)n1 ZINC000169703815 IH Annotated Anodyne Cc1cc(Cn2cc(-c3nc(C(=O)NCc4ccc(C(=O)O)cc4)[nH]c3C)cn2)ccc1F ZINC000169703952 IH Annotated Anodyne Cc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1 ZINC000169703979 IH Annotated Anodyne O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4ccoc4c3)cc2)C1 ZINC000169704596 IH Annotated Anodyne Nc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704642 IH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncc(CO)cn4)ccn23)c1 ZINC000169704717 IH Annotated Anodyne Cn1ccnc1C#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704724 IH Annotated Mild O=C(Nc1ccc2c(c1)NC(=O)[C@@H](N1CCCOCC1)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169704996 IH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)[C@H](N1CCCOCC1)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169704997 IH Annotated Anodyne COCCN(C)[C@@H]1Cc2ccc(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cc2NC1=O ZINC000169704998 IH Annotated Anodyne COCCN(C)[C@H]1Cc2ccc(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cc2NC1=O ZINC000169704999 IH Annotated Anodyne COc1ccc2c(c1)C(=O)N[C@@H](Cc1ccc(-c3ccnc4[nH]ccc34)cc1)C(=O)N2C ZINC000169705906 IH Annotated Anodyne Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(CBr)cc1 ZINC000169706111 IH Annotated Reactive C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1 ZINC000169706933 IH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169706934 IH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169706966 IH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707070 IH Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707087 IH Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707088 IH Annotated Anodyne Cc1ccccc1-n1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1cccc(OC(F)(F)F)c1 ZINC000169707095 IH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707096 IH Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2CCOC(C)C)c1 ZINC000169707116 IH Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2C2CCOCC2)c1 ZINC000169707119 IH Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2C2CCOCC2)c1 ZINC000169707123 IH Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2C2CCOCC2)c1 ZINC000169707124 IH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3ccc(F)cc3)n2)CN1 ZINC000169707143 IH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccccc2)n1 ZINC000169707146 IH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707152 IH Annotated Anodyne Cc1ccccc1-n1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1cccc(C(F)(F)F)c1 ZINC000169707159 IH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707163 IH Annotated Anodyne Cc1ccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000169707165 IH Annotated Anodyne Cc1ccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)cc1 ZINC000169707168 IH Annotated Anodyne CC(C)(C)OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707226 IH Annotated Anodyne CC(C)COCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707227 IH Annotated Anodyne CC[C@@H](C)OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707272 IH Annotated Anodyne CC[C@H](C)OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707273 IH Annotated Anodyne CC(C)(C)[C@@H](O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707277 IH Annotated Anodyne CC(C)(C)[C@H](O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707278 IH Annotated Anodyne CC(C)(C)C(=O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707279 IH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OCC)cc2)c1 ZINC000169707294 IH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2OCC)c1 ZINC000169707299 IH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCC)c2)c1 ZINC000169707301 IH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OC)c2)c1 ZINC000169707311 IH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707319 IH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(COC)c2)c1 ZINC000169707366 IH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3F)n2)CN1 ZINC000169707374 IH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1 ZINC000169707375 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)c(F)c3)c2)c2cncnc21 ZINC000169707647 IH Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4ocnc4c3)c2)c2cncnc21 ZINC000169707658 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21 ZINC000169707661 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4ccccc4n3)c2)c2cncnc21 ZINC000169707662 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cncnc21 ZINC000169707667 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ccccc43)c2)c2cncnc21 ZINC000169707671 IH Annotated Anodyne Cc1cc(C(C)C)nn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707672 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cnc4ccccc43)c2)c2cncnc21 ZINC000169707695 IH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccccc3C(F)(F)F)c2)c2cncnc21 ZINC000169707720 IH Annotated Anodyne Cc1ccc2ccc(CC(=O)Nc3cncc(C(=O)c4cn(C)c5ncncc45)c3)cc2n1 ZINC000169707729 IH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707745 IH Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3coc(C4CC4)n3)c2)c2cncnc21 ZINC000169707752 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(N(C)C(=O)Cc3ccc(C#N)cc3)c2)c2cncnc21 ZINC000169707852 IH Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@@H](N)c3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707893 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H](N)c3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707894 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4ccsc4n3)c2)c2cncnc21 ZINC000169707901 IH Annotated Anodyne CC(C)c1ccnn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707907 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nn(C)c4ccccc34)c2)c2cncnc21 ZINC000169707922 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccn4cncc4c3)c2)c2cncnc21 ZINC000169707939 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncc4ccccn34)c2)c2cncnc21 ZINC000169707947 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4nccn4c3)c2)c2cncnc21 ZINC000169707950 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnnc4ccccc34)c2)c2cncnc21 ZINC000169707952 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccn4ccnc4c3)c2)c2cncnc21 ZINC000169707957 IH Annotated Anodyne CCCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n(C)n1 ZINC000169707961 IH Annotated Anodyne Cc1c(Cl)c(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1C ZINC000169707966 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccn4nccc4c3)c2)c2cncnc21 ZINC000169707969 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cn(C)c4cnccc34)c2)c2cncnc21 ZINC000169707977 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cccnc4n3)c2)c2cncnc21 ZINC000169707987 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nncc4ccccc34)c2)c2cncnc21 ZINC000169707991 IH Annotated Anodyne Cc1cccc2cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nn12 ZINC000169707996 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cn(C4CCC4)cn3)c2)c2cncnc21 ZINC000169708016 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ccccn4n3)c2)c2cncnc21 ZINC000169708017 IH Annotated Anodyne Cc1noc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12 ZINC000169708021 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccnc4ncsc34)c2)c2cncnc21 ZINC000169708025 IH Annotated Anodyne CC(C)(F)Cn1cc2c(n1)CN([C@H]1CS[C@@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708407 IH Annotated Anodyne CC(C)(F)Cn1cc2c(n1)CN([C@H]1CS[C@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708408 IH Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cnn(CC(F)(F)F)c3)C[C@H]2CS1 ZINC000169708467 IH Annotated Anodyne N#Cc1ccc(-c2ccc3oc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3c2)cc1F ZINC000169708956 IH Annotated Mild N#Cc1ccc(-c2ccc3oc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3c2)cc1F ZINC000169708957 IH Annotated Mild CC1(C)OC(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 ZINC000169708984 IH Annotated Mild CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cnn(C)c4)cc3)C2)ccn1 ZINC000169709393 IH Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4cnn(C)c4)cc3)C2)ccn1 ZINC000169709394 IH Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)[C@@H]4CCOC4)cc3)C2)ccn1 ZINC000169709414 IH Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)[C@@H]4CCOC4)cc3)C2)ccn1 ZINC000169709416 IH Annotated Anodyne C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709558 IH Annotated Mild C[C@H](NC(=O)[C@H](C)C#N)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709559 IH Annotated Mild C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709561 IH Annotated Mild C[C@H](NC(=O)[C@H](C)C#N)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709562 IH Annotated Mild C[C@H](NC(=O)C(F)F)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709590 IH Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709591 IH Annotated Anodyne C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709601 IH Annotated Mild C[C@H](NC(=O)[C@H](C)C#N)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709602 IH Annotated Mild C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709603 IH Annotated Mild C[C@H](NC(=O)[C@H](C)C#N)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709604 IH Annotated Mild CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709680 IH Annotated Anodyne CCNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709681 IH Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709682 IH Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709684 IH Annotated Anodyne CNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709691 IH Annotated Anodyne CNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709692 IH Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1 ZINC000169709718 IH Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1 ZINC000169709719 IH Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709811 IH Annotated Anodyne COC(C)(C)COc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F ZINC000169709867 IH Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C[C@H]4CCCO4)n3)C2)cc1 ZINC000169709920 IH Annotated Anodyne O[C@@](Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1cnc2cc(Cl)ccc2n1 ZINC000169709976 IH Annotated Anodyne O[C@](Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1cnc2cc(Cl)ccc2n1 ZINC000169709977 IH Annotated Anodyne O=C1N=Nc2nc(CN3CCCN(C(=O)c4cccc(Cl)c4)CC3)nc3cccc1c23 ZINC000169710154 IH Annotated Anodyne O=C(NC1[C@@H]2CNC[C@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710664 IH Annotated Anodyne O=C(NC1[C@H]2CNC[C@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710665 IH Annotated Anodyne O=C(NC1[C@@H]2CNC[C@@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710666 IH Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cnccn2)O3)s1 ZINC000169710697 IH Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cnccn2)O3)s1 ZINC000169710698 IH Annotated Anodyne COc1cccc([C@@H]2CCc3cc(Oc4ncc(C(=O)NCCO)s4)ccc3O2)c1F ZINC000169710752 IH Annotated Anodyne COc1cccc([C@H]2CCc3cc(Oc4ncc(C(=O)NCCO)s4)ccc3O2)c1F ZINC000169710753 IH Annotated Anodyne COc1c(F)cccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 ZINC000169710772 IH Annotated Anodyne COc1c(F)cccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 ZINC000169710773 IH Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2CC2CCCCC2)c1O ZINC000169711039 IH Annotated Anodyne O=C(O)CCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2CC2CCCC2)c1O ZINC000169711101 IH Annotated Anodyne Cc1nc2c(c(OC(F)F)n1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 ZINC000169711758 IH Annotated Anodyne CCOc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 ZINC000169711775 IH Annotated Anodyne CN1CC=C(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 ZINC000169711925 IH Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)n1 ZINC000169715190 IH Annotated Clean CN1C(=O)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2S1(=O)=O ZINC000169715214 IH Annotated Anodyne CN1C(=O)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2S1(=O)=O ZINC000169715215 IH Annotated Anodyne COc1cc(CCCc2oc(=O)[nH]c2O)ccc1OCc1nc(-c2ccco2)oc1C ZINC000169717288 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+](=O)[O-])c4ccccc34)c(=O)n12 ZINC000169718527 IH Annotated Bother CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2c2c(O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)n23)cc1 ZINC000169718530 IH Annotated Bother CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2c2c(O)n(-c4ccc(C#N)cc4)c(=O)n23)cc1 ZINC000169718532 IH Annotated Mild COc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1OC ZINC000169718848 IH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1[N+](=O)[O-] ZINC000169718858 IH Annotated Bother Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCc3cnc[nH]3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000169719158 IH Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCc3cnc[nH]3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000169719159 IH Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCc3cnc[nH]3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000169719160 IH Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCc3cnc[nH]3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000169719161 IH Annotated Anodyne CCCn1c2nc(C34CCC(CCC(=O)O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000169719748 IH Annotated Anodyne CCCn1c2nc(C34CCC(CCC(=O)O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](CC)N2 ZINC000169719754 IH Annotated Anodyne C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000169720379 IH Annotated Clean COc1ccc(OCCOc2ccc(C[C@H]3C(=O)C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000169721171 IH Annotated Clean COc1ccc(OCCOc2ccc(C[C@@H]3C(=O)C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000169721172 IH Annotated Clean CCOC(=O)C[C@@H]1c2cc(-c3cc(OC)cc(OC)c3)ccc2OC(=N)[C@@H]1C(=O)OCC ZINC000169722155 IH Annotated Anodyne CCOC(=O)C[C@H]1c2cc(-c3cc(OC)cc(OC)c3)ccc2OC(=N)[C@@H]1C(=O)OCC ZINC000169722156 IH Annotated Anodyne COc1cc(C/N=N/c2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc(OC)c1O ZINC000169722474 IH Annotated Clean Cc1c(O)n(-c2ccc([S@@](=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc2ccccc12 ZINC000169724681 IH Annotated Anodyne Cc1c(O)n(-c2ccc([S@](=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc2ccccc12 ZINC000169724682 IH Annotated Anodyne O=c1n(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)cc(O)n1CC(F)F ZINC000169729165 IH Annotated Anodyne O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1CC(F)F ZINC000169729181 IH Annotated Anodyne CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]2/C(=N/c1cccc(CN(C)C)c1)c1ccccc1 ZINC000169729850 IH Annotated Mild CNC(=O)c1ccc2c(c1)NC(=O)[C@H]2/C(=N/c1cccc(CN(C)C)c1)c1ccccc1 ZINC000169729851 IH Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccc(F)cc2)c1 ZINC000169730365 IH Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccc(F)cc2)c1 ZINC000169730366 IH Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(F)c2)c1 ZINC000169730371 IH Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(F)c2)c1 ZINC000169730372 IH Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2F)c1 ZINC000169730375 IH Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2F)c1 ZINC000169730376 IH Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(F)cc2)cc1 ZINC000169730381 IH Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(F)cc2)cc1 ZINC000169730382 IH Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(F)c2)cc1 ZINC000169730387 IH Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(F)c2)cc1 ZINC000169730388 IH Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2F)cc1 ZINC000169730393 IH Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2F)cc1 ZINC000169730394 IH Annotated Mild C[B-](O/N=C1\CCCC\C1=N/O)(O/N=C1\CCCC\C1=N/O)O/N=C1\CCCC\C1=N/O ZINC000169761981 IH Annotated Mild world Cc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C ZINC000017085261 IH Annotated Mild Cc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C ZINC000017085262 IH Annotated Mild O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(=S)[nH]c2[nH]1)c1ccccc1 ZINC000017190687 IH Annotated Bother COc1cc2c(cc1OC)[C@H]1c3ccccc3[C@@](C#N)(C2)N(C(=O)c2ccccc2)[C@H]1O ZINC000017193800 IH Annotated Mild Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(Cl)cc2)c(N2CCOCC2)c1=O ZINC000017196008 IH Annotated Mild O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)C[C@@]1(O)c1ccccc1 ZINC000017198266 IH Annotated Bother CCn1c(S[C@@H](C)C(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc2c1=O ZINC000017217458 IH Annotated Anodyne CCCC(=O)N/[S@@](=N/S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000017222069 IH Annotated Anodyne C/C=C/C=C/C=C\[C@@H](O)[C@@H](C)[C@@H](CC[C@@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O ZINC000017258240 IH Annotated Anodyne N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2F)[C@H]2CN(Cc3ccccc3)CC=C12 ZINC000017467161 IH Annotated Reactive OB(O)c1cc2cc(CNc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccc2s1 ZINC000170095930 IH Annotated Reactive CC[Si](C)(C)c1ccc(CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000170125958 IH Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@@H]([Si](C)(C)C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000170160209 IH Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H]([Si](C)(C)C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000170160212 IH Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@H]([Si](C)(C)C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000170160213 IH Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@H]([Si](C)(C)C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000170160215 IH Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(O)c1 ZINC000017780995 IH Annotated Mild COc1ccc([C@@H]2C=CCN(C(=O)NC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018062445 IH Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)NC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068052 IH Annotated Anodyne COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000018083417 IH Annotated Mild O=C1C(C2=N[C@H](c3ccccn3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000018102152 IH Annotated Mild O=C1C[C@H](c2ccccc2Cl)C2(C(=O)NC(=O)NC2=O)[C@H](c2ccccc2Cl)C1 ZINC000018269940 IH Annotated Anodyne CC1(C)C(=O)c2ccccc2O[C@H]1N1CCN([C@@H]2Oc3ccccc3C(=O)C2(C)C)CC1 ZINC000019365455 IH Annotated Anodyne CC1(C)C(=O)c2ccccc2O[C@@H]1N1CCN([C@H]2Oc3ccccc3C(=O)C2(C)C)CC1 ZINC000019365456 IH Annotated Anodyne CC1(C)[C@@H](N2CCN([C@@H]3Oc4ccccc4[C@H](O)C3(C)C)CC2)Oc2ccccc2[C@H]1O ZINC000019372054 IH Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000019372957 IH Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000019372958 IH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000019643349 IH Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000019643352 IH Annotated Mild CC(C)CC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=O)CC1 ZINC000019644145 IH Annotated Mild Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000019713521 IH Annotated Anodyne CCCN1CCC(N2C[C@@H](NCCC3=C(C)CCCC3(C)C)C[C@H]2C(=O)NCC)CC1 ZINC000019741337 IH Annotated Anodyne COc1cccc(CN2CCN(C3CCN(c4cccc(C)c4C)CC3)C[C@@H]2CCO)c1 ZINC000019838788 IH Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)cc1O ZINC000019901217 IH Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)cc1O ZINC000019901219 IH Annotated Anodyne CN(Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@@H](O)c1ccccc1 ZINC000019951983 IH Annotated Anodyne CN(Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@H](O)c1ccccc1 ZINC000019951988 IH Annotated Anodyne C=C(C)[C@H]1C/C2=C(/C(=O)OC)[C@H](O[C@H](C)CC)C(=O)/C=C(\C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000195048946 IH Annotated Mild C=C(C)[C@H]1C/C2=C(/C(=O)OC)[C@H](O[C@H](C)CC)C(=O)/C=C(/C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000195048964 IH Annotated Mild C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@H](O[C@H](C)CC)C(=O)/C=C(/C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000195048986 IH Annotated Mild CCOC(=O)[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195055518 IH Annotated Mild CCOC(=O)[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195055539 IH Annotated Mild CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195084158 IH Annotated Anodyne CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195084347 IH Annotated Anodyne COCCOCCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195121508 IH Annotated Mild CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C3c4cc5c(cc4C(=O)N[C@H]3[C@@H]2O1)OCO5 ZINC000195132441 IH Annotated Reactive CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3c4cc5c(cc4C(=O)N[C@H]3[C@@H]2O1)OCO5 ZINC000195135735 IH Annotated Reactive Cc1ccc(B(OC(=O)c2ncccc2C(=O)O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000195148501 IH Annotated Anodyne O=C1[C@@H]2[C@@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000195152222 IH Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000195163100 IH Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCCC1CCN(c3cncc(Cl)n3)CC1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000195163109 IH Annotated Anodyne C=C(CCC[C@H](O)C[C@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C\[C@H](O)CCCC(=O)O1 ZINC000195190178 IH Annotated Mild CN1CCC(=O)[C@@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000195381957 IH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000195381965 IH Annotated Anodyne O=C1C(C2=N[C@@H](c3ccccn3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000195416749 IH Annotated Mild O=C1C(C2=N[C@H](c3ccccn3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000195416757 IH Annotated Mild O=C1C(C2=N[C@@H](c3ccccn3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000195416765 IH Annotated Mild O=C1C(C2=N[C@H](c3ccccn3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000195416772 IH Annotated Mild CN1CCN(CCN2CCC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195442564 IH Annotated Anodyne O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000195444240 IH Annotated Anodyne CCN1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000195444446 IH Annotated Anodyne CCN1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000195444452 IH Annotated Anodyne COC(=O)C1=C(CCC[C@H](C)O[Si](C)(C)C(C)(C)C)NC(=O)N2[C@@H](CCO)CC[C@H]12 ZINC000195460638 IH Annotated Reactive COC(=O)[C@@H](CC[C@@H]1C=CN(S(=O)(=O)c2ccc(C)cc2)C1)/N=C/c1ccccc1 ZINC000195470199 IH Annotated Mild C/C=C/C=C/C=C\[C@H](O)[C@@H](C)[C@@H](CC[C@@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O ZINC000195498774 IH Annotated Anodyne C/C=C/C=C/C=C\[C@@H](O)[C@H](C)[C@@H](CC[C@@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O ZINC000195498775 IH Annotated Anodyne C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@@H](CC[C@@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O ZINC000195498779 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1c3ccccc3[C@](C#N)(C2)N(C(=O)c2ccccc2)[C@H]1O ZINC000195515333 IH Annotated Mild C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@](O)(C(=O)N3C)C2(C)C ZINC000195880968 IH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C ZINC000196521507 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C(C)(C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@]3(C)[C@@H]1O ZINC000196587339 IH Annotated Anodyne CC(=O)O[C@H]1C[C@]23[C@@H](OC(C)=O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H]43 ZINC000197361139 IH Annotated Anodyne C/C1=C/C[C@@H]2C(C(C)C)=C(O)C(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@@H]1O[C@@]3(C)O ZINC000197391299 IH Annotated Anodyne CCC(=O)O[C@H]1CC/C(C)=C\[C@@]2(O)OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]12C ZINC000197428625 IH Annotated Anodyne CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000197456113 IH Annotated Mild COC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)COC(C)C)cc2)cc1 ZINC000197952567 IH Annotated Anodyne CCOC(=O)C(C)(C)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000197977459 IH Annotated Reactive C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@@]34CO[C@@H]2[C@@H]14 ZINC000198604345 IH Annotated Anodyne C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(CO)C1=C2 ZINC000198604375 IH Annotated Anodyne C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1[C@H]2O ZINC000198604426 IH Annotated Anodyne CC(=O)Nc1ccc([C@@H](c2c[nH]c3ccccc23)[C@H](CO)NC(=O)C(Cl)Cl)cc1 ZINC000198735284 IH Annotated Reactive CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2)O3)O1 ZINC000198860879 IH Annotated Anodyne O=C(CCCn1c(O)c2cc(Br)ccc2nc1=S)NCc1ccccn1 ZINC000198950376 IH Annotated Anodyne COC(C)(C)/C=C/C[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 ZINC000198968151 IH Annotated Mild Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3CCOCC3)n2n1 ZINC000199067955 IH Annotated Anodyne Cc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NCCN(C)C)n4n3)nc2c1 ZINC000199076823 IH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)N2CC3(CC3)CN=C21 ZINC000199087534 IH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N2CC3(CC3)CN=C21 ZINC000199087552 IH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200563 IH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200574 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 ZINC000199206724 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 ZINC000199206737 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 ZINC000199206766 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 ZINC000199206782 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000199214898 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000199214917 IH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000199218076 IH Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(CCCC#N)nn2)on1 ZINC000199229364 IH Annotated Mild CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(CCCC#N)nn2)on1 ZINC000199229382 IH Annotated Mild COc1ccc(OC)c(CN2C(=O)CSC[C@@]2(C)C(=O)Nc2c(C)cccc2C)c1 ZINC000199230423 IH Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CSC[C@]2(C)C(=O)Nc2c(C)cccc2C)c1 ZINC000199230439 IH Annotated Anodyne COc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)Nc2c(C)cccc2C)cc1OC ZINC000199230607 IH Annotated Anodyne COc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)Nc2c(C)cccc2C)cc1OC ZINC000199230624 IH Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)N2/C(=C3\C=CC(=O)N=C3)Nc3ccccc32)cc1 ZINC000199235792 IH Annotated Anodyne COc1ccc([C@@H](C(=O)NC(C)(C)C)N2/C(=C3\C=CC(=O)N=C3)Nc3ccccc32)cc1 ZINC000199235808 IH Annotated Anodyne CCNC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c(C)c2)[C@H](C)C1 ZINC000199271902 IH Annotated Anodyne CCNC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c(C)c2)[C@@H](C)C1 ZINC000199272153 IH Annotated Anodyne CCNC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@H](C)C3)c(C)c2)[C@@H](C)C1 ZINC000199272172 IH Annotated Anodyne CCNC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@H](C)C3)c(C)c2)[C@H](C)C1 ZINC000199272242 IH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000199363180 IH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000199363208 IH Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000199363448 IH Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000199363463 IH Annotated Anodyne COc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)C(=O)O ZINC000199485723 IH Annotated Anodyne COc1ccccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)C(=O)O ZINC000199485739 IH Annotated Anodyne COc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)O)c1 ZINC000199485837 IH Annotated Anodyne COc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)C(=O)O)c1 ZINC000199485850 IH Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)O)cc1 ZINC000199485884 IH Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)C(=O)O)cc1 ZINC000199485901 IH Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)NCC1CCN(C(=O)C(=O)c2cccs2)CC1 ZINC000199720932 IH Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(C)(=O)=O)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199732045 IH Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(C)C2 ZINC000199732535 IH Annotated Anodyne CN1CC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000199734643 IH Annotated Anodyne CN1OC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000199734685 IH Annotated Bother COC(=O)N1C[C@H](OC(=S)Nc2ccc(OC)cc2OC)[C@H]2C[C@@H]1c1ccccc1O2 ZINC000199735421 IH Annotated Anodyne N#Cc1ccc(NC(=S)N2Cc3cc(Br)ccc3-n3nncc3C2)cc1 ZINC000199735833 IH Annotated Mild N#Cc1ccc(NC(=S)N2Cc3ccc(Br)cc3-n3nncc3C2)cc1 ZINC000199735971 IH Annotated Mild CN1OC[C@@H]2CN(C(=O)c3ccc(C#N)cc3)[C@H](c3cccc(Br)c3)C[C@@H]21 ZINC000199736915 IH Annotated Mild C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc7c(c6)OCO7)cccc5c4CCN3C(=O)[C@@H]12 ZINC000199738027 IH Annotated Anodyne Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3ccccc31)C1=C(CC3(CCCCC3)OC1=O)O2 ZINC000199741621 IH Annotated Anodyne C=C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccccc1)O2 ZINC000199843620 IH Annotated Mild Cc1c(Cl)cccc1/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C ZINC000002050675 IH Annotated Mild Cc1c(Cl)cccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C ZINC000002050677 IH Annotated Mild O=C(NN=C1C=CC(=NOS(=O)(=O)c2ccccc2)C=C1)c1cc2ccccc2cc1O ZINC000002066658 IH Annotated Reactive C=c1[nH]n(-c2cccc(Cl)c2)c(=O)/c1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 ZINC000002071254 IH Annotated Anodyne C[C@@H](/C(O)=N/CCc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002108449 IH Annotated Mild C[C@@H](/C(O)=N/CCc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002109218 IH Annotated Mild C[C@@H](/C(O)=N/CCc1ccccc1F)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002110002 IH Annotated Mild COc1ccccc1C/N=C(\O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002111110 IH Annotated Mild CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002114447 IH Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002114540 IH Annotated Anodyne CC(=O)c1ccc(NC(=O)Nc2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1 ZINC000002117747 IH Annotated Anodyne CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002120298 IH Annotated Anodyne CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002120300 IH Annotated Anodyne CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c(Cl)cc12 ZINC000002125880 IH Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c(Cl)cc12 ZINC000002125882 IH Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002125908 IH Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002125909 IH Annotated Anodyne CC(C)[C@@H](/C(O)=N/Cc1ccco1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002129143 IH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000002255029 IH Annotated Anodyne CCN(CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000002255030 IH Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000002258175 IH Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000002258176 IH Annotated Anodyne C[C@@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000002384677 IH Annotated Anodyne O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCC1CCC(C(=O)O)CC1 ZINC000002398812 IH Annotated Anodyne Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000002424887 IH Annotated Mild COc1cc2c(C(=O)N(C)c3ccc(Br)cc3)cn(C)c(=O)c2cc1OC ZINC000002455950 IH Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCC3=CCCCC3)c21 ZINC000002456153 IH Annotated Anodyne CCOc1ccccc1NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456184 IH Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)c21 ZINC000002457147 IH Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c21 ZINC000002457149 IH Annotated Anodyne CC(C)CCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457820 IH Annotated Anodyne CC(C)CCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457822 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@@H]3CC)c21 ZINC000002458914 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@H]3CC)c21 ZINC000002458915 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(F)cc3)c21 ZINC000002458916 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c21 ZINC000002459222 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c21 ZINC000002459223 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c21 ZINC000002459224 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c21 ZINC000002459225 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(OC)cc3)c21 ZINC000002459246 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c21 ZINC000002459251 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(F)c(F)c3)c21 ZINC000002459252 IH Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459268 IH Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccccc3F)c21 ZINC000002459271 IH Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1 ZINC000002459309 IH Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(F)cc3)c21 ZINC000002459310 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2cc(F)ccc2F)C[C@@H]1C ZINC000002459326 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2cc(F)ccc2F)C[C@H]1C ZINC000002459327 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC2CCCCCC2)C[C@@H]1C ZINC000002459338 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC2CCCCCC2)C[C@H]1C ZINC000002459339 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccccc2F)C[C@@H]1C ZINC000002459350 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccccc2F)C[C@H]1C ZINC000002459351 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C ZINC000002459385 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC000002459386 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2c3ccccc3C[C@@H]2C)C[C@H]1C ZINC000002459387 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccco1)[C@H](c1cccs1)N(C)C2=O ZINC000002459427 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccco1)[C@H](c1cccs1)N(C)C2=O ZINC000002459428 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccco1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459429 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccco1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459430 IH Annotated Anodyne Cc1sc2nc3c(C(=O)N4CCN(c5ccc(F)cc5)CC4)cccn3c(=O)c2c1C ZINC000002461837 IH Annotated Anodyne Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1 ZINC000002467068 IH Annotated Anodyne CC(C)(c1ccc(OC[C@H]2COC(=O)O2)cc1)c1ccc(OC[C@H]2COC(=O)O2)cc1 ZINC000002477872 IH Annotated Anodyne CC(C)(c1ccc(OC[C@H]2COC(=O)O2)cc1)c1ccc(OC[C@@H]2COC(=O)O2)cc1 ZINC000002477873 IH Annotated Anodyne CC(C)(c1ccc(OC[C@@H]2COC(=O)O2)cc1)c1ccc(OC[C@@H]2COC(=O)O2)cc1 ZINC000002477876 IH Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000002478179 IH Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002478215 IH Annotated Bother Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)N3CCN(c4ccccc4)CC3)nc12 ZINC000002479473 IH Annotated Anodyne COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000002480242 IH Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCO ZINC000002480288 IH Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCCOCCO)cc1 ZINC000002480955 IH Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCOCCO ZINC000002481983 IH Annotated Anodyne COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482054 IH Annotated Bother COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000002482254 IH Annotated Anodyne COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482287 IH Annotated Bother COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000002483126 IH Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCO ZINC000002483210 IH Annotated Anodyne COCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000002483849 IH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002486596 IH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002486599 IH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002487173 IH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002487174 IH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487478 IH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487480 IH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487516 IH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487518 IH Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000002488155 IH Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000002488156 IH Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488174 IH Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488175 IH Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489222 IH Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489224 IH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000002489268 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000002489269 IH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000002489270 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000002489271 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489498 IH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489514 IH Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491923 IH Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491926 IH Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491928 IH Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491930 IH Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491964 IH Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491966 IH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492324 IH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492325 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000002492966 IH Annotated Anodyne CC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000002494363 IH Annotated Anodyne CCOC(=O)C1CCN(Cc2cn3c(-c4ccc(Br)cc4)nnc3s2)CC1 ZINC000002498417 IH Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020102259 IH Annotated Reactive COc1ccc([C@@H]2[C@@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104111 IH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104113 IH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104115 IH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104117 IH Annotated Anodyne CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000020105626 IH Annotated Anodyne Cc1cccc(N(C)S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c1 ZINC000020114097 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000020114104 IH Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000020114106 IH Annotated Anodyne O=C(C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)N1CC=C(c2ccccc2)CC1 ZINC000020116631 IH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020141761 IH Annotated Anodyne aggregator CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020141764 IH Annotated Anodyne aggregator CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000020154120 IH Annotated Anodyne COCCO/C(O)=C1\C(C)=NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1ccco1 ZINC000020170709 IH Annotated Reactive COCCO/C(O)=C1\C(C)=NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1ccco1 ZINC000020170710 IH Annotated Reactive Cc1nc2sccn2c1CN1CCOc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2C1 ZINC000020210000 IH Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000020215840 IH Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000020215842 IH Annotated Anodyne Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000020215950 IH Annotated Anodyne CCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000020239823 IH Annotated Anodyne CCCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020416024 IH Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)NC4CCCCCC4)CC3)c(=O)c2=O)CC1 ZINC000020418499 IH Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]2CCO)CC1 ZINC000020451339 IH Annotated Anodyne CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C ZINC000200480019 IH Annotated Anodyne CC1=CC(=O)C[C@@H](C)[C@]1(C)CC/C(C)=C/CC/C(C)=C/CS(=O)(=O)CCN=C(N)N ZINC000200769366 IH Annotated Mild Cc1ccccc1COc1ccc(Cl)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1 ZINC000201162736 IH Annotated Anodyne O=C1C(Cc2ccc(O)cc2)=NC2=C(Cc3ccccc3)N[C@@H](c3ccc(O)cc3)CN12 ZINC000201371723 IH Annotated Anodyne CC1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2cccc3cccnc23)CC1 ZINC000201458486 IH Annotated Anodyne COc1ccccc1COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC000201460688 IH Annotated Anodyne O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000201466955 IH Annotated Anodyne O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000201466992 IH Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2ccc(C)o2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000201479428 IH Annotated Mild CNc1nc2cc3c(cc2cc1Cc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12)OCO3 ZINC000201605091 IH Annotated Anodyne C=C(C)[C@H](O)COc1c2occc2c(OC[C@@H](O)C(C)(C)OC(C)C)c2ccc(=O)oc12 ZINC000201873239 IH Annotated Mild Cn1c([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F ZINC000202520462 IH Annotated Anodyne Cn1c([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F ZINC000202520480 IH Annotated Anodyne CCCCNC(=O)C[C@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCC[C@@]21C(=O)OCC ZINC000203455898 IH Annotated Anodyne CCCCNC(=O)C[C@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCCC[C@@]21C(=O)OC ZINC000203456096 IH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C#N)c3ccccc3N(C(=O)OC(C)(C)C)[C@H]2N1C(=O)OC(C)(C)C ZINC000203463853 IH Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCc2cccs2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464768 IH Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCCCOCCCC)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464901 IH Annotated Mild COc1ccc(CN2C(=O)CCC[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000203465258 IH Annotated Anodyne COc1ccc(CN2C(=O)CCC[C@]2(C)c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000203465264 IH Annotated Anodyne Cc1cccc(Cl)c1-n1nnnc1[C@]1(C)CSCC(=O)N1Cc1ccc(F)cc1 ZINC000203465337 IH Annotated Anodyne Cc1cccc(Cl)c1-n1nnnc1[C@@]1(C)CSCC(=O)N1Cc1ccc(F)cc1 ZINC000203465341 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2OCC(=O)N1Cc1ccc(F)cc1 ZINC000203465604 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2OCC(=O)N1Cc1ccc(F)cc1 ZINC000203465611 IH Annotated Anodyne CC(C)n1nnnc1[C@@H]1c2ccccc2OCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000203465620 IH Annotated Anodyne CC(C)n1nnnc1[C@H]1c2ccccc2OCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000203465624 IH Annotated Anodyne COc1ccc(CN2C(=O)COc3ccccc3[C@H]2c2nnnn2C2CCCCC2)cc1 ZINC000203465630 IH Annotated Anodyne COc1ccc(CN2C(=O)COc3ccccc3[C@@H]2c2nnnn2C2CCCCC2)cc1 ZINC000203465634 IH Annotated Anodyne COc1ccc(CN2C(=O)CSCC[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000203465813 IH Annotated Anodyne COc1ccc(CN2C(=O)CSCC[C@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000203465817 IH Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466562 IH Annotated Mild C[C@H](O)[C@@H]1CN2CCc3ccc(N4CCOCC4)cc3[C@@H]2C[C@@H]1N(C)CC1CCCCC1 ZINC000203467192 IH Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203469021 IH Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469285 IH Annotated Mild COc1ccc(S[C@]2(C(=O)NCC(C)C)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470041 IH Annotated Anodyne C=CCNC(=O)Nc1ccc2c(c1)[C@]1(CC(=O)N(CC(C)C)[C@@H]1c1ccccc1)C(=O)N2C ZINC000203470135 IH Annotated Mild C=CCNC(=O)Nc1ccc2c(c1)[C@]1(CC(=O)N(CC(C)C)[C@H]1c1ccccc1)C(=O)N2C ZINC000203470140 IH Annotated Mild C=CCNC(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)N(CC(C)C)[C@@H]1c1ccccc1)C(=O)N2C ZINC000203470242 IH Annotated Mild C=CCNC(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)N(CC(C)C)[C@H]1c1ccccc1)C(=O)N2C ZINC000203470247 IH Annotated Mild CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203472636 IH Annotated Anodyne Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1 ZINC000204417512 IH Annotated Anodyne O=C1c2cccc3c2c(cn3Cc2ccc(CO)cc2)CCN1CC12CCN(CC1)CC2 ZINC000204614488 IH Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(S(=O)(=O)NCCCl)cc1 ZINC000204647464 IH Annotated Reactive O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCCl)cc3)c2c2ccsc12 ZINC000204666183 IH Annotated Reactive c1cc2cc(-c3ccc(-c4cn5ccc(C6=NCCN6)cc5n4)cc3)[nH]c2cc1C1=NCCN1 ZINC000204891352 IH Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)c1 ZINC000204954535 IH Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)c1 ZINC000204954552 IH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N2CC3(CC3)CN=C21 ZINC000204988562 IH Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N2CC3(CC3)CN=C21 ZINC000204988583 IH Annotated Mild Fc1cc(-c2cn[nH]c2)cn2c(Sc3ccc4ncc(N5CCOCC5)cc4c3)nnc12 ZINC000204990849 IH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCOCC6)cc5c4)n3c2)cn1 ZINC000204999913 IH Annotated Anodyne Cc1cc(OCCN2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1nccs1)C2 ZINC000020504630 IH Annotated Anodyne COc1cc(CNS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(OC)c1OC ZINC000020532633 IH Annotated Anodyne O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020580879 IH Annotated Anodyne CCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581083 IH Annotated Anodyne CCC[C@H](C)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581086 IH Annotated Anodyne CC(C)N(C)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581140 IH Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(Cc1cc(C)ccc1C)CC2 ZINC000020599530 IH Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(Cc1cc(C)ccc1C)CC2 ZINC000020599531 IH Annotated Anodyne C=CCn1c(SCc2ccncc2)nc2cc(/C(O)=N/C[C@@H]3CCCO3)ccc2c1=O ZINC000020645637 IH Annotated Mild C=CCn1c(SCc2ccncc2)nc2cc(/C(O)=N/C[C@H]3CCCO3)ccc2c1=O ZINC000020645639 IH Annotated Mild C/C(=N\O)c1ccc2nnc(Sc3ccc4ncc(N5CC[C@H](N(C)C)C5)cc4c3)n2c1 ZINC000205009379 IH Annotated Mild N#C[C@H]1C[C@@H](NC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000205009823 IH Annotated Mild N#C[C@H]1C[C@H](NC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000205009857 IH Annotated Mild CC(C)(C)NC(=O)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1 ZINC000205037669 IH Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000205054402 IH Annotated Mild CC(C)(C)OC(=O)N[C@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000205054427 IH Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000205054444 IH Annotated Mild CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000205054466 IH Annotated Mild COC(=O)CCC(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc21 ZINC000205098026 IH Annotated Mild Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccncc2)no1 ZINC000205206361 IH Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccncc2)no1 ZINC000205206376 IH Annotated Anodyne COc1cc(-c2nccc3[nH]nc(-c4ccc(S(C)(=O)=O)cc4)c23)cc(OC)c1OC ZINC000205206695 IH Annotated Anodyne O=C(NCCCc1ccccc1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205207624 IH Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205209683 IH Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205209697 IH Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)N(CCc2ccccc2)C(=O)COC3)c1 ZINC000205210423 IH Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205213868 IH Annotated Anodyne Cc1cnc(C)c(-c2cnn(C(C)(C)C(=O)NCc3ccccc3Br)c2)n1 ZINC000205214706 IH Annotated Anodyne COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3ccccc3Br)c2)n1 ZINC000205214988 IH Annotated Anodyne O=C(Nc1ccccc1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205215553 IH Annotated Anodyne Cc1ccccc1CN1CCN(c2ncc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1=O ZINC000205215942 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000205219090 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1 ZINC000205219371 IH Annotated Anodyne O=C(NCCCc1ccccc1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205219640 IH Annotated Anodyne CN(C)C(=O)c1ccc(CN2C(=O)COCc3cc(-c4cccc(CO)c4)ccc32)cc1 ZINC000205221204 IH Annotated Anodyne CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1cccc(Br)c1 ZINC000205222830 IH Annotated Anodyne CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1cccc(Br)c1 ZINC000205222844 IH Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)c1 ZINC000205223186 IH Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205224798 IH Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205224820 IH Annotated Anodyne O=C(Nc1ccc(-n2cccc2)cc1)C1=CN2CCN(Cc3ccccc3)C(=O)N=C2O1 ZINC000205224935 IH Annotated Anodyne COc1cccc(CN2CCN3C=C(C(=O)Nc4ccc(C(C)C)cc4)OC3=NC2=O)c1 ZINC000205226932 IH Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)Nc4ccc(C(C)C)cc4)=COC3=NC2=O)c1 ZINC000205227099 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2ccc3ccccc3c2)on1 ZINC000205228262 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2ccc3ccccc3c2)on1 ZINC000205228284 IH Annotated Anodyne CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccc(Br)cc1 ZINC000205229637 IH Annotated Anodyne CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccc(Br)cc1 ZINC000205229657 IH Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205230736 IH Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205230758 IH Annotated Anodyne O=C(Nc1ccc(-n2cccc2)cc1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000205232995 IH Annotated Anodyne O=C(Nc1ccc(-n2cccc2)cc1)C1=CN2CCN(Cc3ccc(F)cc3)C(=O)N=C2O1 ZINC000205233213 IH Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000205233570 IH Annotated Anodyne CC(C)(C)c1ccc(-n2cccc([C@H](O)C(=O)Nc3ccc4c(N)noc4c3)c2=O)cc1 ZINC000205424773 IH Annotated Anodyne CC(C)(C)c1ccc(-n2cccc([C@@H](O)C(=O)Nc3ccc4c(N)noc4c3)c2=O)cc1 ZINC000205424786 IH Annotated Anodyne CC(=O)OC[C@H](CO)OC(=O)/C=C(\C)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)C[C@H](O)[C@@H]1C ZINC000205528207 IH Annotated Anodyne C=C[C@@](C)(CC/C=C(\C)CC[C@]1(C)C(C=O)=CCC[C@H]1C)S(=O)(=O)CCN=C(N)N ZINC000205655276 IH Annotated Reactive CCOC(=O)[C@@H](NC(=O)[C@@H]1CC=C[C@@H]2CCN(Cc3ccc(Cl)cc3)C(=O)[C@@H]21)C(C)C ZINC000205705440 IH Annotated Anodyne COc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1OC ZINC000205711705 IH Annotated Anodyne C[C@H]1[C@@H](OC(=O)N2CCN(c3ccccc3)CC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711975 IH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713668 IH Annotated Bother CCOC(=O)/C(C#N)=C/C(=C(\O)c1cc(OC)c(OC)c(OC)c1)[n+]1cc(C)cc(C)c1 ZINC000205849010 IH Annotated Reactive CCOC(=O)[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1C1CCCC1 ZINC000205858341 IH Annotated Anodyne CCOC(=O)[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1C1CCCC1 ZINC000205858365 IH Annotated Anodyne CC(=O)[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)C(=O)c1cccs1 ZINC000205859999 IH Annotated Anodyne CC(=O)[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)C(=O)c1cccs1 ZINC000205860022 IH Annotated Anodyne CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(C)=O)C(=O)Nc1c(C)cccc1C ZINC000205861305 IH Annotated Bother CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C(C)=O)C(=O)Nc1c(C)cccc1C ZINC000205861324 IH Annotated Bother CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(Br)cc1)[n+]1ccc(N(C)C)cc1 ZINC000205899242 IH Annotated Reactive O=C(Nc1ccc(-n2cccc2)cc1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000206019085 IH Annotated Anodyne COC(=O)[C@]1(S(=O)(=O)c2ccccc2)CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000206020772 IH Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000206021458 IH Annotated Anodyne COC(=O)[C@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000206021479 IH Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC)cc21 ZINC000206035083 IH Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC)cc21 ZINC000206035101 IH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041499 IH Annotated Bother CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041647 IH Annotated Mild CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(OC)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041685 IH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041718 IH Annotated Bother C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042359 IH Annotated Anodyne COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)N(C)Cc2ccc(F)cc2)sc1=O ZINC000206055286 IH Annotated Anodyne O=C(NCc1cccc(Cl)c1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000206055815 IH Annotated Anodyne CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)N(Cc1ccco1)C(=O)C(=O)c1ccccc1 ZINC000206062757 IH Annotated Anodyne CC(=O)[C@@H](C(=O)Nc1c(C)cccc1C)N(Cc1ccco1)C(=O)C(=O)c1ccccc1 ZINC000206062780 IH Annotated Anodyne COc1cc(F)c(F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206093440 IH Annotated Anodyne COc1cc(Cl)ncc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206096795 IH Annotated Anodyne COc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ncns4)ccc23)c(OC)c1 ZINC000206142888 IH Annotated Anodyne CCC[C@@H]1CC(=O)N[C@H](n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)N1 ZINC000206202123 IH Annotated Anodyne CCC[C@H]1CC(=O)N[C@H](n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)N1 ZINC000206202155 IH Annotated Anodyne CCC[C@@H]1CC(=O)N[C@@H](n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)N1 ZINC000206202180 IH Annotated Anodyne CCC[C@H]1CC(=O)N[C@@H](n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)N1 ZINC000206202211 IH Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@H](O)[C@@H](C)[C@H]3C)cc(OC)c(OC)c2OC)cc(OC)c1O ZINC000206411692 IH Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@@]1(C=C([S@@](=O)c3ccccc3)C(=O)C[C@H]1C)C2=O ZINC000206685499 IH Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@@]1(C=C([S@](=O)c3ccccc3)C(=O)C[C@H]1C)C2=O ZINC000206685543 IH Annotated Mild CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccccc3)ccc2=O)c1 ZINC000206930665 IH Annotated Anodyne CC(C)(C)c1ccc(-n2cccc([C@H](O)C(=O)Nc3ccc4c(N)nccc4c3)c2=O)cc1 ZINC000207098269 IH Annotated Anodyne CC(C)(C)c1ccc(-n2cccc([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)c2=O)cc1 ZINC000207098311 IH Annotated Anodyne CC1(C)OB(c2ccc(N(CCBr)CCBr)cc2)OC1(C)C ZINC000207145424 IH Annotated Reactive C[C@H]1CCC[C@H](C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1Cl ZINC000207165268 IH Annotated Anodyne C[C@@H]1CCC[C@@H](C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1Cl ZINC000207165312 IH Annotated Anodyne C[C@H]1CCC[C@H](C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000207165415 IH Annotated Anodyne C[C@@H]1CCC[C@@H](C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000207165462 IH Annotated Anodyne Cc1nc2ccccn2c1C(=O)C(CSC(=S)N(C)C)CSC(=S)N(C)C ZINC000207748776 IH Annotated Anodyne C=C(C)C[C@H](O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1OCCO1 ZINC000208152314 IH Annotated Reactive CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@@H]1[C@H]2OC(=O)/C=C\c1ccccc1 ZINC000208949813 IH Annotated Anodyne CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000208949845 IH Annotated Anodyne COc1cc(O)cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)c1 ZINC000209087877 IH Annotated Bother COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3cccc(C)c3)C4)CC2)cc1 ZINC000021039464 IH Annotated Clean CCN1CCN([C@@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098143 IH Annotated Anodyne CCN1CCN([C@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098148 IH Annotated Anodyne COc1cc(/C=C2\C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000210468565 IH Annotated Clean COc1cc(/C=C2/C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000210468600 IH Annotated Clean COC(=O)[C@@]1(O)C(=O)[C@]2(C)CC[C@H](C(C)C)[C@@H]2c2cc(C)c(Br)c(O)c21 ZINC000211329925 IH Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C/COC(C)=O)cc3[C@H]2COC(C)=O)ccc1O ZINC000212417376 IH Annotated Anodyne CO[C@]1(C)Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000213166390 IH Annotated Clean CO[C@]1(C)Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2/C1=C\c1ccc(O)c(O)c1 ZINC000213166451 IH Annotated Clean CO[C@]1(C)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C\c1ccc(O)c(O)c1 ZINC000213166511 IH Annotated Clean COc1cc2c(c(OC)c1OC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CNC2=O ZINC000214678721 IH Annotated Anodyne COc1cc2c(cc1NC(=O)CN(C)Cc1nc(=O)c3ccccc3[nH]1)oc1ccccc12 ZINC000021916527 IH Annotated Anodyne COc1cc(C#N)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215503556 IH Annotated Mild COc1cc(F)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215516237 IH Annotated Anodyne COc1cc(C#N)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215516306 IH Annotated Mild COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215520460 IH Annotated Anodyne COc1cc(Cl)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215523895 IH Annotated Anodyne COc1cc(Cl)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215524104 IH Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(S(=O)(=O)NCCF)cc1 ZINC000215586710 IH Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)no1 ZINC000215775701 IH Annotated Mild CC(C)OC(=O)N1CCC(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1 ZINC000215832416 IH Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)N1[C@H]2CCC[C@@H]1Cn1c(-c3ncc(F)cn3)nnc12 ZINC000215978109 IH Annotated Anodyne CC(C)CN1CCC([S@](=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC1 ZINC000215992631 IH Annotated Anodyne in-vitro CC1=CC(=O)C[C@@H](C)[C@]1(C)CC/C(C)=C\CC/C(C)=C\CS(=O)(=O)CCN=C(N)N ZINC000216145894 IH Annotated Mild CC1=CC(=O)C[C@@H](C)[C@]1(C)CC/C(C)=C/CC/C(C)=C\CS(=O)(=O)CCN=C(N)N ZINC000216145935 IH Annotated Mild CC1=CC(=O)C[C@@H](C)[C@]1(C)CC/C(C)=C\CC/C(C)=C/CS(=O)(=O)CCN=C(N)N ZINC000216145980 IH Annotated Mild CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216198285 IH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000216199225 IH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC3(CCC3)CC2)cc1F ZINC000216199366 IH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC3(CCCC3)CC2)cc1F ZINC000216201406 IH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC(C(F)(F)F)CC2)cc1F ZINC000216201606 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1 ZINC000216202222 IH Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C2CCCC2)c(=O)[nH]1 ZINC000216237145 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2CCC3(CCC3)CC2)cc1F ZINC000216239865 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC23CCCCC3)cc1F ZINC000216240546 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@H]2CC23CCCCC3)cc1F ZINC000216240588 IH Annotated Anodyne CC1(C)CCC(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 ZINC000216242551 IH Annotated Anodyne CC1(C)CCC[C@H](COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C1 ZINC000216243033 IH Annotated Anodyne CC1(C)CCC[C@@H](COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C1 ZINC000216243074 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2CCC3(CC2)CC3)cc1F ZINC000216243660 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCC3(CC2)CC3)cc1F ZINC000216243728 IH Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F ZINC000216244133 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F ZINC000216244284 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)C3CC4CC(C3)CC2C4)cc1F ZINC000216244559 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(F)C3CC4CC(C3)CC2C4)cc1F ZINC000216244628 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC2(C(F)(F)F)CCC2)cc1F ZINC000216245100 IH Annotated Anodyne C=Cc1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216246615 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C#N)C3CC4CC(C3)CC2C4)cc1F ZINC000216255439 IH Annotated Mild O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1F ZINC000216265494 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000216265591 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1F ZINC000216269746 IH Annotated Anodyne O=S(=O)(Nc1ccccc1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000217097601 IH Annotated Anodyne in-vitro O=C(C[C@H](c1nc2ccccc2s1)[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)NCc1ccccc1 ZINC000217348849 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2C3CC4CC(C3)CC2C4)cc1F ZINC000217390554 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F ZINC000217391231 IH Annotated Anodyne CCn1cnc2c(-c3ccc(CO)c(-c4ccc(S(=O)(=O)CC)cc4F)c3)cnnc21 ZINC000218113700 IH Annotated Anodyne O=C(c1cccc(F)c1-n1ccnn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218363047 IH Annotated Anodyne CN1C(=O)C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c21 ZINC000218686762 IH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(O[C@@H]6CCNC6)cc5c4)n3c2)cn1 ZINC000218856923 IH Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(O[C@H]6CCNC6)cc5c4)n3c2)cn1 ZINC000218856988 IH Annotated Anodyne COC(=O)N1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000218996921 IH Annotated Anodyne CCc1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1CC(C)C ZINC000219313114 IH Annotated Mild O=C(Nc1ccn(-c2cn(Cc3cccc(C(F)(F)F)c3)cn2)c(=O)c1)c1cscn1 ZINC000219343563 IH Annotated Anodyne COc1cccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000219344728 IH Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3cccc(C#N)c3)nc(N3CCOCC3)c2CO1 ZINC000219411469 IH Annotated Mild COc1ccccc1CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000219427782 IH Annotated Mild COc1ccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000219427989 IH Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3nnc(C4CC4)s3)n1C1CC2C1 ZINC000219450017 IH Annotated Mild CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1 ZINC000219587793 IH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O ZINC000219669114 IH Annotated Anodyne CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)[C@H](c2ccccc2)C1 ZINC000219745741 IH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C#N)c3)c2cn1)c1ccc(F)cc1 ZINC000219759551 IH Annotated Mild COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(C#N)nc3)c2cn1)c1ccc(F)cc1 ZINC000219759855 IH Annotated Mild CC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O ZINC000219919188 IH Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953002 IH Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953210 IH Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953891 IH Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958644 IH Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960637 IH Annotated Anodyne in-vitro CNc1nc(N/N=C/c2cc([N+](=O)[O-])ccc2O)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000022002333 IH Annotated Mild Cc1cc(C)c(Cc2c(C)cc(C)c(/C=C(\C#N)C(N)=O)c2C)c(C)c1/C=C(/C#N)C(N)=O ZINC000022014474 IH Annotated Reactive CC1(C)[C@@H](O)c2ccccc2O[C@@H]1N1CCN([C@H]2Oc3ccccc3[C@@H](O)C2(C)C)CC1 ZINC000022038705 IH Annotated Anodyne CC1(C)[C@@H](N2CCN([C@H]3Oc4ccccc4[C@@H](O)C3(C)C)CC2)Oc2ccccc2[C@H]1O ZINC000022038708 IH Annotated Anodyne NCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000022042867 IH Annotated Anodyne O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3ccc([N+](=O)[O-])cc3)ccc1-2 ZINC000220150875 IH Annotated Anodyne O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ccc([N+](=O)[O-])cc3)ccc1-2 ZINC000220150948 IH Annotated Anodyne O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3cccc([N+](=O)[O-])c3)ccc1-2 ZINC000220184185 IH Annotated Anodyne O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3cccc([N+](=O)[O-])c3)ccc1-2 ZINC000220184250 IH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3n1)C2=O ZINC000220200958 IH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3n1)C2=O ZINC000220201030 IH Annotated Anodyne CCc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O ZINC000220262547 IH Annotated Anodyne CCc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O ZINC000220262615 IH Annotated Anodyne CCc1nn(CCOC)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220321759 IH Annotated Anodyne CCc1nn(CCOC)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220321820 IH Annotated Anodyne CNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1 ZINC000220326512 IH Annotated Anodyne COc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000220652886 IH Annotated Anodyne COc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2c1 ZINC000220652994 IH Annotated Anodyne NC1=N[C@@](c2cc(Nc3ncnc4cc(Cl)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220653083 IH Annotated Anodyne N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000220653331 IH Annotated Mild N#Cc1cnc2c(Nc3ccc(Cl)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000220653711 IH Annotated Mild COc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000220653890 IH Annotated Anodyne NC1=N[C@@](c2cc(NCc3nn(C(F)F)cc3Cl)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220655068 IH Annotated Anodyne COC[C@@H](C)c1cc(Nc2ccnc(N(C)Cc3ccc4[nH]cnc4c3Cl)n2)n[nH]1 ZINC000220658670 IH Annotated Anodyne FC(F)c1nnc(N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)s1 ZINC000220678829 IH Annotated Anodyne in-vitro O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(C(F)(F)F)cn1)C2 ZINC000221051291 IH Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1 ZINC000221051993 IH Annotated Anodyne N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(CC(F)(F)F)cc2)n1 ZINC000221140029 IH Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(CC(F)(F)F)cc2)n1 ZINC000221140150 IH Annotated Mild CS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1 ZINC000221180494 IH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(CN(C)C)cc1C ZINC000221218438 IH Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(CN(C)C)cc1C ZINC000221218500 IH Annotated Mild N#C[C@H]1C[C@@H](C(=O)NC2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221225198 IH Annotated Mild N#C[C@H]1C[C@@H](NCC(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221249871 IH Annotated Mild N#C[C@H]1C[C@H](NCC(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221249983 IH Annotated Mild Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000221282081 IH Annotated Anodyne Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000221282139 IH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(O[C@H]3CCOC3)c2)ncc1F ZINC000221306060 IH Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 ZINC000221594828 IH Annotated Bother COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 ZINC000221594893 IH Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@H]([N+](=O)[O-])[C@H]1CCCN12 ZINC000221598861 IH Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@@H]([N+](=O)[O-])[C@H]1CCCN12 ZINC000221598929 IH Annotated Bother CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(NCc2ccccc2)nc1 ZINC000221637326 IH Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nc[nH]c4c3)c2)c2cncnc21 ZINC000221753445 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4cn[nH]c4c3)c2)c2cncnc21 ZINC000221753649 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3[nH]nc4ccccc34)c2)c2cncnc21 ZINC000221754813 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cc[nH]c4cn3)c2)c2cncnc21 ZINC000221756626 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cc(F)cnc4[nH]3)c2)c2cncnc21 ZINC000221756800 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccnc4[nH]ccc34)c2)c2cncnc21 ZINC000221756894 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cc[nH]c4n3)c2)c2cncnc21 ZINC000221757317 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3c[nH]c4cnccc34)c2)c2cncnc21 ZINC000221757406 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ccc4c3)c2)c2cncnc21 ZINC000221757691 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nccc4[nH]ccc34)c2)c2cncnc21 ZINC000221757884 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4[nH]ccc4n3)c2)c2cncnc21 ZINC000221757967 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cnccc4[nH]3)c2)c2cncnc21 ZINC000221758062 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nc(Cl)c(Cl)[nH]3)c2)c2cncnc21 ZINC000221758289 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4cc[nH]c4c3)c2)c2cncnc21 ZINC000221758798 IH Annotated Anodyne O=C([C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)N1CCOCC1 ZINC000221782834 IH Annotated Anodyne CC[N+]1([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CCC1 ZINC000221831322 IH Annotated Mild N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000221831900 IH Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000221832006 IH Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221833613 IH Annotated Mild N#C[C@H]1CC[C@@H](NCc2ccccc2)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221849875 IH Annotated Mild N#C[C@H]1C[C@@H](NCC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221855819 IH Annotated Mild N#C[C@@H]1C[C@H](C(=O)NC2CCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221865028 IH Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221865991 IH Annotated Mild N#C[C@H]1C[C@@H](NCC(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 ZINC000221886838 IH Annotated Mild COCCNc1nc(Oc2ccccc2)nc2c(-c3ccc(C(=O)NC4CC4)cc3)cnn12 ZINC000221945780 IH Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cscn3)[nH]c12 ZINC000222325228 IH Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccs3)[nH]c12 ZINC000222325762 IH Annotated Anodyne CC(C)=CCC/C(C)=C/C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222910511 IH Annotated Anodyne CC(C)=CCC[C@H](C)CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222910686 IH Annotated Anodyne CC(C)=CCC[C@@H](C)CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222910743 IH Annotated Anodyne CC(C)(C)OC(=O)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222969943 IH Annotated Mild CC(C)(C)OC(=O)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222970005 IH Annotated Mild CC(C)(C)OC(=O)N[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000222971654 IH Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000222971710 IH Annotated Mild CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000222971770 IH Annotated Mild CC1CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222974898 IH Annotated Mild CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222975358 IH Annotated Mild COC(C)(C)CN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979415 IH Annotated Mild COC(C)(C)CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222979470 IH Annotated Mild COCC(C)(C)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222980052 IH Annotated Mild COCC(C)(C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222980113 IH Annotated Mild COC[C@H](C)N(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222981436 IH Annotated Mild COC[C@@H](C)N(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222981500 IH Annotated Mild CC[N+]1([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CCC1 ZINC000222981611 IH Annotated Mild COc1cc(F)c([C@@]23CO[C@@H](COCc4ccccc4)C[C@H]2CSC(N)=N3)cc1C#N ZINC000223171081 IH Annotated Mild N#Cc1cc([C@@]23CO[C@@H](COCc4ccccc4)C[C@H]2CSC(N)=N3)c(F)cc1F ZINC000223176143 IH Annotated Mild N#C[C@H]1CC[C@H](NCc2ccccc2)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000223210016 IH Annotated Mild CC1(C)C(=O)Nc2nc(-n3nc(CCC(F)(F)C(F)(F)F)c4cc(F)ccc43)nnc21 ZINC000223424623 IH Annotated Anodyne CC(C)CN1CCC([S@@](=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC1 ZINC000223606944 IH Annotated Anodyne in-vitro CC(C)N1CCC([S@@](=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC1 ZINC000223611368 IH Annotated Anodyne CC(C)N1CCC([S@](=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC1 ZINC000223611422 IH Annotated Anodyne O[C@@H](CNc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1 ZINC000223671752 IH Annotated Anodyne COc1cccc(C(=O)Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)c1 ZINC000223671927 IH Annotated Anodyne O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccc(F)cc1 ZINC000223672015 IH Annotated Anodyne CC(C)(N)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223672102 IH Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cn[nH]n3)csc12)Cc1ccccc1 ZINC000223673157 IH Annotated Anodyne C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)OC(C)(C)C)C3 ZINC000223675062 IH Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCCCO)csc12)Cc1ccccc1 ZINC000223678155 IH Annotated Mild CCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1 ZINC000223680696 IH Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(/C=C/C(=O)O)csc12)Cc1ccccc1 ZINC000223681633 IH Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-n3cccn3)csc12)Cc1ccccc1 ZINC000223683193 IH Annotated Anodyne C[C@H](O)CC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223684175 IH Annotated Mild c1ccc(C[C@H]2CN(c3nc(-c4cn[nH]c4)nc4sc5c(c34)CCCC5)CCN2)cc1 ZINC000223686686 IH Annotated Anodyne COCC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223688194 IH Annotated Mild C[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12 ZINC000223688515 IH Annotated Mild CC(C)(O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223688615 IH Annotated Mild CCCNC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223690380 IH Annotated Anodyne CC(C)NC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223690531 IH Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(C(=O)NC3CC3)csc12)Cc1ccccc1 ZINC000223690616 IH Annotated Anodyne CC[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223694200 IH Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CC3)csc12)Cc1ccccc1 ZINC000223694958 IH Annotated Mild c1cc2c(cc1CNc1ccc3ncc(-c4ccc(N5CCOCC5)cc4)n3n1)OCO2 ZINC000223804493 IH Annotated Anodyne CS[C@H]1CN(c2ncc(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000224170422 IH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncc(-c4cnc(N)nc4)cn3)c2F)cn1 ZINC000224557489 IH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OCCN3C(=O)c4ccccc4C3=O)c2F)cn1 ZINC000224565688 IH Annotated Anodyne N#CCCN(C1CC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224686023 IH Annotated Mild N#CCCN(C1CC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224754377 IH Annotated Mild Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cn2)cn1 ZINC000224763489 IH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@H](C(F)(F)F)C3)cc2F)cn1 ZINC000224765046 IH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@@H](C(F)(F)F)C3)cc2F)cn1 ZINC000224765087 IH Annotated Anodyne C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 ZINC000224773965 IH Annotated Anodyne C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 ZINC000224776895 IH Annotated Anodyne NCC1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1 ZINC000224787472 IH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3nc[nH]c3n2)c(F)c1 ZINC000224789339 IH Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F ZINC000224794355 IH Annotated Anodyne COc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N ZINC000224810892 IH Annotated Anodyne COc1c(-c2ccccc2S(=O)(=O)NC(C)(C)C)ccc(-c2cnc(N)cn2)c1F ZINC000224816776 IH Annotated Anodyne CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224823409 IH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@H](C(F)(F)F)C3)cc2F)cn1 ZINC000224835460 IH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@@H](C(F)(F)F)C3)cc2F)cn1 ZINC000224835498 IH Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F ZINC000224836539 IH Annotated Anodyne CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000224887692 IH Annotated Anodyne Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(C(=O)c4ccccc4)CC3)=C(O)C2)cc1 ZINC000022918278 IH Annotated Mild OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC000022926667 IH Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3cccc(F)c3F)CC2)CC1 ZINC000022926671 IH Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000022926674 IH Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC000022926681 IH Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3c(F)cccc3F)CC2)CC1 ZINC000022926685 IH Annotated Anodyne COc1cc(C)ccc1CN1CCN([C@@H]2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1 ZINC000022927144 IH Annotated Anodyne COc1cc(C)ccc1CN1CCN([C@H]2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1 ZINC000022927148 IH Annotated Anodyne COc1ccc(C)cc1CN1CCN([C@@H]2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1 ZINC000022927150 IH Annotated Anodyne COc1ccc(C)cc1CN1CCN([C@H]2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1 ZINC000022927153 IH Annotated Anodyne COc1cc(F)ccc1-c1nncc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000225034647 IH Annotated Anodyne Cc1cccc(CCCOc2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)n1 ZINC000225043472 IH Annotated Anodyne Cc1cc2cnn(C)c2cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225053777 IH Annotated Anodyne Cc1ccc2c(cnn2C)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225053952 IH Annotated Anodyne Cc1c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)ccc2c1cnn2C ZINC000225056801 IH Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c([C@@H]3CCCN3C3CCOCC3)nccc2c1 ZINC000225059178 IH Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c([C@H]3CCCN3C3CCOCC3)nccc2c1 ZINC000225059219 IH Annotated Anodyne Cc1cc2c(cnn2C)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225064517 IH Annotated Anodyne COc1cc(C#N)ccc1-c1nc(C)nc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225086887 IH Annotated Mild COc1ncc(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225087962 IH Annotated Anodyne COc1ncc(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225129576 IH Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CC(F)C3)cc2C2CC2)CCCCC1 ZINC000225208678 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@H]2CC=C(C3CC3)CC2)cc1F ZINC000225215807 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC=C(C3CC3)CC2)cc1F ZINC000225215847 IH Annotated Anodyne COC12C[C@H]3C[C@@H](CC(COc4cc(F)c(C(=O)NS(C)(=O)=O)cc4Cl)(C3)C1)C2 ZINC000225223855 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000225225250 IH Annotated Anodyne CC1(F)CCC(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 ZINC000225245466 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@H]2CC=C(Cl)CC2)cc1F ZINC000225251036 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC=C(Cl)CC2)cc1F ZINC000225251068 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CCCC(F)(F)C2)cc1F ZINC000225251321 IH Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@H]2CCCC(F)(F)C2)cc1F ZINC000225251360 IH Annotated Anodyne Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncco2)c1 ZINC000225848255 IH Annotated Anodyne CCOc1ncc(Br)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 ZINC000226044562 IH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(S(C)(=O)=O)C[C@H]4C3)cc12 ZINC000226044789 IH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc4ccccc4n2)C3)n1 ZINC000226051076 IH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2nc(C)cc(C)n2)C3)c1 ZINC000226057634 IH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@@H]4CN(S(C)(=O)=O)C[C@@H]4C3)cc12 ZINC000226059606 IH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@H]4CN(S(C)(=O)=O)C[C@@H]4C3)cc12 ZINC000226059615 IH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12 ZINC000226063442 IH Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(Br)cn1)C2 ZINC000226064087 IH Annotated Anodyne F[C@@H]1CN[C@H](CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)C1 ZINC000226068981 IH Annotated Anodyne CCOc1nccc(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 ZINC000226077608 IH Annotated Anodyne N#Cc1cnc2c(c1)CCC[C@H]2Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000226081046 IH Annotated Mild Cc1ccc(-c2ncccc2C)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)n1 ZINC000226083171 IH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12 ZINC000226113012 IH Annotated Anodyne O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cnc2ccccn12 ZINC000023129733 IH Annotated Anodyne O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cnc2ccccn12 ZINC000023129735 IH Annotated Anodyne COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000023157998 IH Annotated Anodyne CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(CN2CCOCC2)c1O ZINC000023224677 IH Annotated Clean CC1(C)[C@@H](O)c2ccccc2O[C@@H]1N1CCN([C@@H]2Oc3ccccc3[C@@H](O)C2(C)C)CC1 ZINC000023478201 IH Annotated Anodyne CC1(C)[C@@H](N2CCN([C@@H]3Oc4ccccc4[C@@H](O)C3(C)C)CC2)Oc2ccccc2[C@H]1O ZINC000023478203 IH Annotated Anodyne CC1(C)[C@@H](O)c2ccccc2O[C@H]1N1CCN([C@@H]2Oc3ccccc3[C@@H](O)C2(C)C)CC1 ZINC000023478205 IH Annotated Anodyne CC1(C)[C@H](O)c2ccccc2O[C@H]1N1CCN([C@@H]2Oc3ccccc3[C@@H](O)C2(C)C)CC1 ZINC000023478207 IH Annotated Anodyne CC1(C)C(=O)c2ccccc2O[C@@H]1N1CCN([C@@H]2Oc3ccccc3C(=O)C2(C)C)CC1 ZINC000023478209 IH Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)/C=C\C(=O)NCCCNCCCCNC(=O)/C=C\2 ZINC000230098816 IH Annotated Anodyne in-man COc1ccc2cc1Oc1ccc(cc1)/C=C/C(=O)NCCCNCCCCNC(=O)/C=C\2 ZINC000230098820 IH Annotated Anodyne in-man CN1CCN(C(=O)c2cnc(=O)[nH]c2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000230524298 IH Annotated Anodyne O=C(CN(Cc1ccccn1)Cc1ccccn1)NCc1csc(-c2cccs2)n1 ZINC000230558934 IH Annotated Anodyne COc1cccc2sc(CN(C)C(=O)[C@@H]3CNCCN3c3ccc(F)cc3)c(C)c12 ZINC000230559114 IH Annotated Anodyne COc1cccc2sc(CN(C)C(=O)[C@H]3CNCCN3c3ccc(F)cc3)c(C)c12 ZINC000230559148 IH Annotated Anodyne CCn1c(NC(C)C)nc2c([C@@H]3CCN(C(=O)c4cccc(C)n4)C3)csc2c1=O ZINC000231225898 IH Annotated Anodyne CCn1c(NC(C)C)nc2c([C@H]3CCN(C(=O)c4cccc(C)n4)C3)csc2c1=O ZINC000231225929 IH Annotated Anodyne C[C@H](NC(=O)c1ccn[nH]1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000231378312 IH Annotated Anodyne C[C@H](NC(=O)c1ccn[nH]1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000231378338 IH Annotated Anodyne CC1(C)O[C@@]2(C=C3[C@H](CC[C@]45C[C@@]34C(=O)O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238731038 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H](O)[C@@](C)(O)[C@@]21C ZINC000238731344 IH Annotated Anodyne COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1C[N+]4([O-])C[C@H](C)[C@H](CC[C@]12COC(C)=O)[C@H]34 ZINC000238731372 IH Annotated Bother C/C=C(/C)C(=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)C=C(C)C)[C@H]21 ZINC000238732446 IH Annotated Mild C=C1[C@H](OC(=O)C=C(C)C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238733382 IH Annotated Mild COC(=O)/C1=C\[C@H](OC(C)=O)C/C(C)=C/C=C(/C(C)C)C[C@@H](O)/C(C(=O)OC)=C/CC1 ZINC000238733604 IH Annotated Anodyne CCC(=O)O[C@H]1CC/C(C)=C\[C@]2(O)OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]12C ZINC000238733647 IH Annotated Anodyne COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc(O)c1OC ZINC000238734710 IH Annotated Anodyne COC1=C(C(C)C)[C@H]2C/C=C(/C)[C@@H]3O[C@@](C)(O)[C@H]4C(=O)O/C(=C(\C)CC[C@]2(C)OC1=O)[C@H]43 ZINC000238735134 IH 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(=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000238735225 IH Annotated Mild CC1(C)OC(=O)C=C[C@]2(C)O[C@@](O)(CC3=CCC[C@]45C[C@]34[C@H](O)O[C@H]5c3ccoc3)C[C@H]12 ZINC000238735356 IH Annotated Anodyne CCCC(=O)C1=C(O)C(C)(C)C(O)=C(C[C@@H]2C(=O)[C@@]3(C(=O)CCC)C[C@](C)(C3=O)[C@H]2O)C1 ZINC000238735888 IH Annotated Mild CC(=O)Oc1c2c(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 ZINC000238735952 IH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@]3(OC(=O)NC(=O)C(Cl)(Cl)Cl)C[C@H]12 ZINC000238736026 IH Annotated Mild CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1Cc1cc2c(o1)CC[C@]13C[C@]21C(=O)O[C@@H]3c1ccoc1 ZINC000238736216 IH Annotated Anodyne C=C(C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O[C@H]2[C@H]1OC(=O)/C(C)=C\C ZINC000238736529 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C ZINC000238737179 IH Annotated Mild C=C1[C@H]2CC[C@]3([C@H]1OC(C)=O)[C@H]1C[C@@H]4[C@]5(C)CCC[C@@]4([C@@H](O1)N(CCOC(C)=O)C5)[C@@H]3C2 ZINC000238737321 IH Annotated Mild COC1=C(OC)[C@H](OC)[C@H]2C(=C1)[C@H]1O[C@@H](c3cc(OC)c(OC)c(OC)c32)[C@H](C)[C@@H]1C ZINC000238738199 IH Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@@H]2C(C)=CCC(=O)[C@]12C ZINC000238738618 IH Annotated Anodyne CC(=O)N1CC[C@@]23c4ccccc4N[C@@H]4Nc5cccc6c5[C@@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@@H]13 ZINC000238738860 IH Annotated Anodyne C=C(CC[C@@]1(C)[C@H](COC(=O)CCC(=O)OC)CC[C@@]2(C)C(C)=CCC[C@@H]21)[C@H](O)CO ZINC000238739273 IH Annotated Mild CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238739386 IH Annotated Anodyne CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H](C(=O)[C@H](C)[C@H](C)O)[C@H]3C2=CO1 ZINC000238739742 IH Annotated Mild C[C@H](CCOC(=O)CC(=O)O)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C ZINC000238740500 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)[C@@]1(C)CO ZINC000238740524 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\C)C(C)(C)[C@H]2[C@@H]3C(=O)C[C@H](C)[C@H]2[C@]3(C)[C@H]1O ZINC000238740966 IH Annotated Anodyne CC(=O)O[C@H]1C[C@@]23[C@@H](CC[C@H]4C(=O)O[C@@H](O[C@@H]2OC(C)=O)[C@H]43)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238741091 IH Annotated Anodyne CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1Cc1cc2c(o1)CC[C@]13C[C@]21C(=O)O[C@H]3c1ccoc1 ZINC000238741422 IH Annotated Anodyne C=C(CC[C@@]1(C)[C@H](C)CC[C@@]2(COC(=O)CCC(=O)OC)C(C)=CCC[C@@H]21)[C@H](O)CO ZINC000238741575 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@H](O)C[C@](O)(C(C)C)[C@@H]12 ZINC000238741667 IH Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)CC[C@@H](O)C[C@@H]1CCC[C@@H](C[C@@H](O)CC2)N1 ZINC000238741737 IH Annotated Anodyne C=C(C(=O)OC)[C@H]1C[C@@]2(OO)C(=C)[C@H](OC(=O)/C(C)=C\C)CC[C@]2(C)C[C@H]1OC(C)=O ZINC000238741890 IH Annotated Reactive CC(=O)O[C@@H]1O[C@H](OC(C)=O)C=C1[C@H]1C[C@H]2O[C@@]2(CC/C=C(\C)CCC=C(C)C)C(=O)O1 ZINC000238742548 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@@H]1O ZINC000238743050 IH Annotated Mild COC(=O)c1c(C)c(Cl)c(OC(=O)c2c(C)c(Cl)c(O)c(C=O)c2O)c(C)c1O ZINC000238743204 IH Annotated Anodyne CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34[C@H](O)O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238743263 IH Annotated Anodyne C=C(CCC[C@@H](O)C[C@H](C)O)C[C@@H]1CC(=C)C[C@H](O)C/C(C)=C/[C@@H](O)CCCC(=O)O1 ZINC000238743686 IH Annotated Mild CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)CC1=CCC[C@]23C[C@]12C(=O)O[C@H]3c1ccoc1 ZINC000238744965 IH Annotated Anodyne CC(=O)OC[C@@H](CC/C=C(/C)CO)CCC[C@H](CCCC1=CCOC1=O)COC(C)=O ZINC000238745144 IH Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1[C@@H](O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000238745301 IH Annotated Anodyne C=C=CO[C@H]1C[C@@H](OC(C)=O)[C@@H](C[C@H](OC(C)=O)[C@@H](Br)C/C=C/CC)O1 ZINC000238745376 IH Annotated Reactive CC(=O)O[C@@H]1CC=C(C)[C@H]2CC3=C(C)C(=O)O[C@@]3(O)/C=C(/C)CC[C@@H](OC(C)=O)[C@]12C ZINC000238745720 IH Annotated Anodyne CC(=O)OC[C@@H]1[C@@H](OC(C)=O)C[C@@H](/C(C)=C\CC=C(C)C)[C@H]1[C@@H]1C[C@@H](OC(C)=O)CC1=O ZINC000238745755 IH Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)[C@H]2O)c1O ZINC000238745844 IH Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238745912 IH Annotated Mild CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)CC1=CCC[C@]23C[C@]12[C@H](O)O[C@H]3c1ccoc1 ZINC000238745946 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000238746481 IH Annotated Mild COC1=C(C(C)C)[C@H]2C/C=C(/C)[C@H]3O[C@@](C)(O)[C@H]4C(=O)O/C(=C(\C)CC[C@]2(C)OC1=O)[C@@H]34 ZINC000238746654 IH Annotated Anodyne COc1cc(C(=O)O[C@H]2CC(C)=CC(=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc(OC)c1OC ZINC000238747007 IH Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@@](C)(O)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C ZINC000238747923 IH Annotated Anodyne CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O ZINC000238748150 IH Annotated Mild CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1Cc1cc2c(o1)CC[C@]13C[C@]21[C@H](O)O[C@H]3c1ccoc1 ZINC000238748622 IH Annotated Anodyne CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@H](C(=O)[C@H](C)[C@H](C)O)[C@H]3C2=CO1 ZINC000238748641 IH Annotated Mild CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O)c2O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000238749159 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)C(C)(C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@@]31C ZINC000238749416 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H]3C[C@]4(OCC3=CC[C@H]2C1(C)C)OC(=O)C=C4C ZINC000238749424 IH Annotated Anodyne CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@@]2(C)O[C@H]2[C@H](O)C(=O)/C(CO)=C\C1 ZINC000238749594 IH Annotated Mild CC1(C)OC(=O)C=C[C@]2(C)O[C@](O)(CC3=CCC[C@]45C[C@]34[C@H](O)O[C@H]5c3ccoc3)C[C@@H]12 ZINC000238749707 IH Annotated Anodyne CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c2O ZINC000238749885 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C ZINC000238750527 IH Annotated Mild C=C[C@@]1(C)O[C@@]2(C)C(=O)C[C@@H]3C(C)(C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H](O)[C@@]3(C)[C@@H]2CC1=O ZINC000238751529 IH Annotated Mild C=C1[C@H](OC(=O)/C(C)=C\C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238751605 IH Annotated Mild C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O)C[C@@H]12 ZINC000238751778 IH Annotated Mild C/C=C\C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O ZINC000238751888 IH Annotated Anodyne COC(=O)CCC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(CO)C[C@H](O)C[C@]12C ZINC000238752917 IH Annotated Anodyne COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@](O)(C(C)C)C=C3C(=O)C[C@H]21 ZINC000238752939 IH Annotated Mild CC(=O)OC[C@H](OC(C)=O)[C@](C)(O)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C ZINC000238752951 IH Annotated Anodyne C=C(C(C)C)[C@H](O)[C@H]1Cc2c(cc3oc4ccc(C)c(O)c4c(=O)c3c2OC)O[C@]1(C)O ZINC000238753251 IH Annotated Mild CC1(C)O[C@]2(C=C3[C@@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238753604 IH Annotated Anodyne C=C1[C@H](OC(=O)C=C(C)C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238754269 IH Annotated Mild C/C(=C\[C@@H](O)[C@@H](O)[C@@H](C)C1=CC[C@]2(C)C[C@H]3[C@@H](C)CC[C@H]3C(C(=O)O)=CC[C@@H]12)C(=O)O ZINC000238754590 IH Annotated Anodyne C=C1[C@H](OC(=O)/C(C)=C/C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238754793 IH Annotated Mild 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)cc1 ZINC000238755036 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H](O)[C@@](C)(O)[C@@]21C ZINC000238755100 IH Annotated Anodyne C/C=C(/C)C(=O)OC[C@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H](O)[C@@H]1C3 ZINC000238755245 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C ZINC000238755414 IH Annotated Anodyne CC(=O)O[C@H]1C[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)C[C@@H](OC(C)=O)[C@@]3(CO4)[C@@]2(C)C[C@@H]12 ZINC000238755537 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@@H](O)C(C)(C)[C@H]2[C@@H]3[C@@H](C)CC(=O)[C@H]2[C@]13C ZINC000238755802 IH Annotated Anodyne CC1(C)O[C@]2(C=C3[C@@H](O)CC[C@]45C[C@]34[C@@H](O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238755931 IH Annotated Anodyne C=C1[C@H](OC(=O)/C(C)=C\C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@]1(O)C3 ZINC000238756293 IH Annotated Mild CC(=O)O[C@@H]1/C(C)=C\C[C@@H]2C(C(C)C)=CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)C[C@@]21O ZINC000238756352 IH Annotated Anodyne C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)[C@H](O)C=C(C)C)[C@]12C(=O)Oc1cc(OC)ccc1C2=O ZINC000238756356 IH Annotated Mild C=C(C)[C@H]1Cc2c(O)c(C(=O)C(C)C)c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c2O1 ZINC000238756524 IH Annotated Mild COc1ccc2cc1-c1cc(ccc1O)CC[C@@H](O)C[C@H]1CCC[C@H](C[C@@H](O)CC2)N1 ZINC000238756595 IH Annotated Anodyne COc1ccc([C@@]2(OC)O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@]2(C)O)cc1OC ZINC000238756745 IH Annotated Anodyne C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)[C@H](O)C=C(C)C)[C@]12C(=O)Oc1cc(OC)ccc1C2=O ZINC000238757101 IH Annotated Mild C[C@H](O)[C@H](Cl)[C@H]1C[C@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 ZINC000238757175 IH Annotated Reactive 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@](C)(O)[C@@H]1O ZINC000238757453 IH Annotated Mild C/C=C(/COC(=O)C=C(C)C)C(=O)OCc1ccn2c1[C@H](OC(=O)C=C(C)C)CC2=O ZINC000238757679 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@]2(O)[C@@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]42C)C[C@@H]1[C@@]1(CO1)C3 ZINC000238757980 IH Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@H](C)OC(=O)C=C(C)C)(C1)[C@@H]23 ZINC000238758313 IH Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@]3(O)/C=C(/C)CC[C@H](OC(C)=O)[C@@]12C ZINC000238759114 IH Annotated Anodyne CC(=O)O[C@@H]1O[C@@H](OC(C)=O)[C@H]2CC[C@@H]3C(C)(C)[C@@H]4C[C@]23C1=C[C@@H]4OC(=O)C=C(C)C ZINC000238759503 IH Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(C3=NCCO3)c(CO)c1O2 ZINC000238759606 IH Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](CC(=O)OCCN(C)C)[C@H](C)[C@H]3[C@@H](O)C[C@@H]12 ZINC000238759780 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238759885 IH 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(=O)[C@H]1OC(=O)/C(C)=C\C ZINC000238759999 IH 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)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000238760059 IH Annotated Mild CC(=O)[C@H]1[C@@H]2C(=O)O[C@@H]3C[C@H]4[C@@](C)(CC[C@@H]5C(C)(C)CCC[C@]45CO)[C@@H](C[C@H]1O)[C@@]23C ZINC000238760284 IH Annotated Anodyne C=C([C@H](O)[C@@H](C)C(=O)CC)[C@H]1[C@]2(C)O[C@@H]2C(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C ZINC000238760467 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@]2(O)[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]42C)C[C@@H]1[C@@]1(CO1)C3 ZINC000238760529 IH Annotated Anodyne COc1ccc([C@@]2(OC)O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@]3(C)O[C@@]32C)cc1OC ZINC000238760591 IH Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C\C ZINC000238761376 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](O)C(C)(C)[C@H]2[C@@H]3[C@@H](C)CC(=O)[C@H]2[C@]13C ZINC000238761482 IH Annotated Anodyne CC1(C)O[C@](O)(CC2=CCC[C@]34C[C@]23C(=O)O[C@H]4c2ccoc2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238761759 IH Annotated Anodyne COc1cc([C@@H]2OC[C@]3(C)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@]23C)cc(OC)c1O ZINC000238761887 IH Annotated Anodyne CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O1 ZINC000238762093 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@@H](O)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C ZINC000238762147 IH Annotated Mild CC(=O)OC/C(=C\CC/C(C=O)=C\C=O)CC/C=C(/CC/C=C(\C)CO)COC(C)=O ZINC000238762296 IH Annotated Reactive C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238762440 IH Annotated Anodyne C[C@@H](C[C@@H]1C(=O)N(C)[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000238762798 IH Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(C)C[C@@H]12 ZINC000238763040 IH Annotated Reactive C=C1[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238763399 IH Annotated Mild C/C=C(/C)C(=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)/C(C)=C/C)[C@H]21 ZINC000238763753 IH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12 ZINC000238763773 IH Annotated Mild CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000238764151 IH Annotated Anodyne C=C1[C@H](O)C[C@H]2C(C)(C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)C[C@]2(C)[C@H]1C[C@@H]1OC(=O)C[C@H]1C ZINC000238764323 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C ZINC000238765532 IH Annotated Mild C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@@H]1OC(=O)/C=C/C(C)=C/[C@H](CO)CCO ZINC000238765567 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H]2C[C@]34C(=CO[C@@H](OC(C)=O)[C@@H]3CC[C@@H]4C2(C)C)[C@H]1OC(C)=O ZINC000238765600 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C ZINC000238766026 IH Annotated Mild CC1(C)[C@@]2(Br)O[C@H]2[C@H]2O[C@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O ZINC000238766377 IH Annotated Reactive C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OCc1ccn2c1[C@H](OC(=O)/C(C)=C\C)CC2=O ZINC000238766627 IH Annotated Anodyne Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H]1[CH][C@H](O)[CH][CH][C@@H]1[C@H]1[CH][CH][C@H]([CH][C@H]1O)C[C@H]2O ZINC000238767381 IH Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1[C@@H](O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000238767498 IH Annotated Anodyne COC(=O)[C@@H]1C[C@H](c2cc(OC)c(OC)cc2OC)[C@@H]1c1cc(OC)c2c(c1)OCO2 ZINC000238767662 IH Annotated Anodyne CC1(C)C[C@H]2[C@H](C=C3COC(=O)[C@]34C[C@]24C)[C@H]1OC(=O)NC(=O)C(Cl)(Cl)Cl ZINC000238769646 IH Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@H](O)[C@@H]2C(C)=CCC(=O)[C@]12C ZINC000238769691 IH Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@@H]1C[C@@]2(C=C(Cl)C(=O)[C@@H]3O[C@@H]32)O[C@H]1O ZINC000238769806 IH Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)CC(C(=O)O)=C[C@H]1OC(=O)CCCCCC(C)C ZINC000238770118 IH Annotated Anodyne COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2CO)cc(OC)c1OC ZINC000238770214 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C ZINC000238770562 IH Annotated Mild C/C(=C/C(=O)OC[C@H](O)CO)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC[C@]2(O)CCl ZINC000238770882 IH Annotated Reactive C/C(=C\C(=O)OC[C@H](O)CO)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC[C@]2(O)CCl ZINC000238770892 IH Annotated Reactive COc1cc(C(=O)O[C@H]2CC(C)=CC(=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc2c1OCO2 ZINC000238770998 IH Annotated Mild C=C(C(=O)OC)[C@H]1C[C@@]2(OO)C(=C)[C@@H](OC(=O)/C(C)=C\C)CC[C@]2(C)C[C@H]1OC(C)=O ZINC000238771063 IH Annotated Reactive C/C=C(/C)C(=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)CC(C)C)[C@H]21 ZINC000238771394 IH Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 ZINC000238772389 IH Annotated Mild C=C[C@]1(C)CC[C@@H](C(C)(C)O[C@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2O)C[C@H]1C(=C)C ZINC000238772502 IH Annotated Mild CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@@H](C)[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000238772565 IH Annotated Mild C=C1C/C=C/[C@](C)(OC(C)=O)CC[C@@H]2C(C(=O)/C=C/C(C)(C)O)=CO[C@@H](OC(C)=O)[C@@H]12 ZINC000238772823 IH Annotated Mild C=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)C[C@@H]1O)C3=O ZINC000238772934 IH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)[C@H](C)CC)[C@H]12 ZINC000238772960 IH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H](C(C)C)[C@@H]1OC(C)=O ZINC000238774338 IH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O[C@H]4OC[C@H](O)[C@H](O)[C@H]4O)c(C)c1c32 ZINC000238774629 IH Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)[C@]1(C)O[C@@H]1C ZINC000238774871 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@@H]1OC(=O)CC(C)C ZINC000238774924 IH Annotated Mild C=C(C)[C@H]1C/C2=C(/C(=O)OC)[C@H](O[C@@H](C)CC)C(=O)/C=C(/C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000238775730 IH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)C(C)(C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@]3(C)[C@@H]1O ZINC000238776243 IH Annotated Anodyne CN1[C@H]2C[C@@H]3[C@@H](CO[C@](C)(O)[C@@H]3CC(=O)c3ccco3)[C@@H]1Cc1c2n(C)c2ccccc12 ZINC000238776584 IH Annotated Anodyne CC(=O)OC/C(=C\CC/C(C=O)=C\C=O)CC/C=C(/CC/C=C(\C)C=O)COC(C)=O ZINC000238776757 IH Annotated Reactive C=C(C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O[C@@H]2[C@H]1OC(=O)/C(C)=C\C ZINC000238777042 IH Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@]3(O)/C=C(\C)CC[C@H](OC(C)=O)[C@@]12C ZINC000238777148 IH Annotated Anodyne CC(=O)O[C@@H]1C(=O)[C@]2(O)c3occ4c3[C@](C)(CC[C@H]4OC(C)=O)CC[C@@]2(C)[C@@H]1C(C)C ZINC000238777292 IH Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@@H]1C(=O)C=C(C)[C@H](OC(C)=O)C2 ZINC000238777438 IH Annotated Mild C=C1[C@@H]2C[C@H](O)[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C\C ZINC000238778114 IH Annotated Mild C/C=C(/C)C(=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)/C(C)=C/C)[C@H]21 ZINC000238778847 IH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12 ZINC000238778862 IH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@H](O)C[C@](O)(C(C)C)[C@@H]12 ZINC000238778910 IH Annotated Anodyne CC(=O)OCC1=C[C@@H]2[C@@H]([C@H]3C=C(C)C(=O)[C@@]3(O)C1)[C@H](C)C[C@]1(OC(=O)C(C)C)[C@H]2C1(C)C ZINC000238779004 IH Annotated Mild C=C1[C@@H]2[C@H]3CC[C@]2(C)[C@@H](OC(=O)CC)C[C@H]1C[C@@H](O)[C@]1(C)O[C@H]1C[C@H](OC(C)=O)[C@H]3C ZINC000238779245 IH Annotated Mild COc1ccc([C@@H]2c3c(oc4cc(C(C)=O)c(O)cc34)C(=O)C[C@H]2COC(C)=O)cc1O ZINC000238779962 IH Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@@]2(O)CC[C@H]3O[C@@]3(C)[C@@]12C ZINC000238780267 IH Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@H]4[C@H](OC(C)=O)C(=O)O[C@H]4O[C@@H]3OC(C)=O)[C@H]12 ZINC000238780386 IH Annotated Mild CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c2O ZINC000238780562 IH Annotated Anodyne CC1(C)O[C@@]2(C=C3[C@@H](CC[C@]45C[C@@]34C(=O)O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238780785 IH Annotated Anodyne CN(C)[C@@H](CCOC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C ZINC000238780879 IH Annotated Reactive CC1(C)O[C@@]2(C=C3[C@H](CC[C@]45C[C@@]34C(=O)O[C@@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238781206 IH Annotated Anodyne CC(C)=CC[C@@]1(C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000238781553 IH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)CC[C@@H](O1)C(=C)CC[C@H]2OC(C)=O ZINC000238781883 IH Annotated Mild C=C1[C@H](OC(C)=O)[C@@]23CC[C@@H]1C[C@H]2[C@@]12CCC[C@@]4(C)CN(CCOC(C)=O)[C@@H]1O[C@@H]3C[C@@H]24 ZINC000238781948 IH Annotated Mild COC(=O)[C@H]1C[C@@H](c2cc(OC)c(OC)cc2OC)[C@@H]1c1cc(OC)c2c(c1)OCO2 ZINC000238781979 IH Annotated Anodyne C[C@@H]1C(=O)[C@@H](O)[C@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]13C2(C)C ZINC000238782307 IH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1[C@@H](O)C(C)(C)[C@H]2[C@@H]3[C@@H](C)CC(=O)[C@H]2[C@]3(C)[C@@H]1OC(=O)/C(C)=C\C ZINC000238782893 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@@H]1OC(=O)/C(C)=C\C ZINC000238783030 IH Annotated Mild CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C\c1ccccc1 ZINC000238783707 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@H]12 ZINC000238784811 IH Annotated Mild COc1ccc(COC[C@@H]2[C@@H](c3cc(OC)c(OC)c(OC)c3)CC[C@H]2O)cc1OC ZINC000238784956 IH Annotated Anodyne CC(=O)OC[C@H](CO)OC(=O)/C=C(/C)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)C[C@H](O)[C@@H]1C ZINC000238784972 IH Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@@H]1[C@H](OC(C)=O)C=C(C)C(=O)C2 ZINC000238785118 IH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]2[C@@](O)(C(C)C)C[C@@H](O)[C@]12C ZINC000238785250 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@H](O)C[C@](O)(C(C)C)[C@@H]12 ZINC000238785255 IH Annotated Anodyne CC(C)=CC(=O)C/C=C(/C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238785399 IH Annotated Mild COc1cc([C@H]2OC[C@]3(C)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@]23C)cc(OC)c1O ZINC000238785419 IH Annotated Anodyne CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 ZINC000238785516 IH Annotated Mild CC(=O)O[C@@H]1O[C@H](OC(C)=O)C=C1[C@H]1C[C@H]2O[C@@]2(CC/C=C(/C)CCC=C(C)C)C(=O)O1 ZINC000238786493 IH Annotated Anodyne O=C(O)C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000238788400 IH Annotated Anodyne O=C(O)C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000238788401 IH Annotated Anodyne O=C(O)C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000238788403 IH Annotated Anodyne O=C(O)C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000238788404 IH Annotated Anodyne COc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(O/C=C\[C@@H](C)C(=O)O)c1C(=O)O ZINC000238788448 IH Annotated Anodyne COc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(O/C=C/[C@@H](C)C(=O)O)c1C(=O)O ZINC000238788449 IH Annotated Anodyne C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C=C2C(=O)c2c(cc(O)c(c2O)C/C(CO)=C\C1)C3=O ZINC000238788508 IH Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H]2CC(=O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238788856 IH Annotated Mild CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@@H](C(=O)[C@@H](C)[C@H](C)O)[C@H]3C2=CO1 ZINC000238789485 IH Annotated Mild CC[C@@H](COC(C)=O)[C@H]1O[C@@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@H](C)C[C@@H]1C ZINC000238789593 IH Annotated Anodyne Cc1cc(C)nc(N2CCC(N(Cc3cccnc3)C(=O)c3cccc(C#N)c3)CC2)n1 ZINC000024882965 IH Annotated Mild N#Cc1cc2c(nc1SC[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1)CCCC2 ZINC000002501921 IH Annotated Mild O=[N+]([O-])c1ccc2c(OCc3nnc(-c4ccccc4Br)o3)ncnc2c1 ZINC000002620747 IH Annotated Bother Cc1nn(-c2ccc(Cl)cc2)c(N)c1[C@@](O)(CSc1nccn1C)C(F)(F)F ZINC000002622165 IH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(N)c1[C@](O)(CSc1nccn1C)C(F)(F)F ZINC000002622166 IH Annotated Anodyne Cc1nc2ccc(Nc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4o3)cc2s1 ZINC000002625069 IH Annotated Anodyne C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O ZINC000002630354 IH Annotated Mild C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O ZINC000002630356 IH Annotated Mild CCCCN1C(=O)/C(=N\NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000002646656 IH Annotated Reactive CN1CCC2(CC1)Nc1nc(SCc3ccc(Cl)cc3)nn1C1=C2CN(C)CC1 ZINC000002647891 IH Annotated Anodyne O=C1CN(C(=O)COC(=O)c2ccccc2NCCc2ccc(F)cc2)c2ccccc2N1 ZINC000002653308 IH Annotated Anodyne CCn1cc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(=O)c2ccc(C)nc21 ZINC000002659269 IH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1 ZINC000002722237 IH Annotated Anodyne O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000002826513 IH Annotated Anodyne Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)[nH]n1 ZINC000002908745 IH Annotated Anodyne CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccsc2c1=O ZINC000002909322 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(Br)cc(Br)c1=O ZINC000002910740 IH Annotated Anodyne O=c1c2c3c(sc2ncn1C/C(O)=N/C/C(O)=N/c1ccc(Cl)cn1)CCCC3 ZINC000002924705 IH Annotated Anodyne Cc1cc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccsc3c2=O)ccc1Cl ZINC000002925027 IH Annotated Anodyne Cc1cc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccsc3c2=O)ccc1Cl ZINC000002925028 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(C)C3CCCCC3)c21 ZINC000002928079 IH Annotated Anodyne CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCc2cc(Br)ccc2OC)C1=O ZINC000002934194 IH Annotated Anodyne CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCc2cc(Br)ccc2OC)C1=O ZINC000002934195 IH Annotated Anodyne O=c1c2ccccc2nc(SCc2cc(=O)n3ccccc3n2)n1Cc1cccs1 ZINC000002971046 IH Annotated Anodyne Cc1cc(OCCN2CCOCC2)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)Nc1nccs1)C2 ZINC000025206271 IH Annotated Anodyne Cc1cc(OCCN2CCOCC2)c(C)c2c1CC[C@H]([C@H](C)C(=O)Nc1nccs1)C2 ZINC000025206275 IH Annotated Anodyne Cc1cc(OCCN2CCOCC2)c(C)c2c1CC[C@H]([C@@H](C)C(=O)Nc1nccs1)C2 ZINC000025206280 IH Annotated Anodyne O=C(NC1CCCCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250095575 IH Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1C ZINC000253431460 IH Annotated Reactive CCOc1cc2nc(=S)n(CCCC(=O)NCc3ccco3)c(O)c2cc1OCC ZINC000253496816 IH Annotated Anodyne Cc1ccc([C@@H]2CN(C(=O)c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3)CCO2)cc1C ZINC000253638704 IH Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000253639801 IH Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000253639803 IH Annotated Reactive CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@@H]2[C@H]2C=Cc3cc(O)c(F)cc3[C@@H]12 ZINC000253645546 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3cc(O)c(F)cc3[C@@H]12 ZINC000253645548 IH Annotated Reactive CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@@H]2[C@H]2C=Cc3c(ccc(O)c3F)[C@@H]12 ZINC000253646339 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3c(ccc(O)c3F)[C@@H]12 ZINC000253646340 IH Annotated Reactive CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H]3C[C@@]4(CO3)[C@H](CC[C@@]43CCC(=O)O3)[C@@H]12 ZINC000253648052 IH Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@]13CO[C@@H]2C3 ZINC000253648055 IH Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H]3C[C@@]4(CO3)[C@@H](CC[C@@]43CCC(=O)O3)[C@@H]12 ZINC000253648057 IH Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]1[C@H]1CC[C@@]3(CCC(=O)O3)[C@]13CO[C@@H]2C3 ZINC000253648060 IH Annotated Mild CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000253650586 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000253652044 IH Annotated Anodyne CCN1CCN(c2cc3[nH]c(C(=O)[C@@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2C)CC1 ZINC000253668185 IH Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(OC)cc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccc(OC)cc1 ZINC000253670684 IH Annotated Anodyne O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3cccnc3)C2)cn1 ZINC000253677562 IH Annotated Anodyne O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3ccccn3)C2)cn1 ZINC000253677906 IH Annotated Anodyne Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(Cl)ccc21 ZINC000253678787 IH Annotated Anodyne CNc1nc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000253679384 IH Annotated Mild CN1[C@H]2C[C@@H](CO)[C@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000253679614 IH Annotated Anodyne CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000253680361 IH Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000253680369 IH Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@H]2[C@H]1OCc1ccccc1 ZINC000253680373 IH Annotated Reactive O=C(Cc1cccc2ccccc12)Nc1cn([C@H]2C[C@@H](NC(=O)c3ccncc3)C2)cn1 ZINC000253681781 IH Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2CCO)CC1 ZINC000253683128 IH Annotated Anodyne Cc1ccc2c(c1)NC[C@]21CCN(C[C@@H](O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1C ZINC000253683444 IH Annotated Mild CCOC(=O)[C@@]12CC[C@@H](Cc3ccccc3C1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000253689895 IH Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@@H]31 ZINC000253693440 IH Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000253693447 IH Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000253693453 IH Annotated Anodyne C[C@@H]1CCC(=NNc2ccc(Br)cc2Cl)c2ncc(C(=O)O)c(=O)n21 ZINC000253695179 IH Annotated Mild C[C@H]1CCC(=NNc2ccc(Br)cc2Cl)c2ncc(C(=O)O)c(=O)n21 ZINC000253695185 IH Annotated Mild Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(O)nc1=O ZINC000253695318 IH Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)COC[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000253695492 IH Annotated Anodyne C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 ZINC000253704958 IH Annotated Clean C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 ZINC000253704966 IH Annotated Clean CO[C@@]12C=C[C@@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000253757044 IH Annotated Anodyne in-vivo CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000253778404 IH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000253778413 IH 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]1CF ZINC000253791442 IH Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CF)O[C@@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21 ZINC000253791444 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@](=O)(OC[C@H]1C=C[C@@H](n3cc(C)c(O)nc3=O)O1)OC2 ZINC000253855492 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000253947716 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@]2(C)O[C@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000253947719 IH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@H]3N2C)cc1 ZINC000253986484 IH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@H]3N2C)cc1 ZINC000253986488 IH Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@H](C(=O)[C@H](C)[C@H](C)O)[C@@H]3C2=CO1 ZINC000253989028 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@H](C(=O)[C@H](C)[C@H](C)O)[C@H]3C2=CO1 ZINC000253989033 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@H](C(=O)[C@H](C)[C@@H](C)O)[C@@H]3C2=CO1 ZINC000253989034 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@H](C(=O)[C@H](C)[C@@H](C)O)[C@H]3C2=CO1 ZINC000253989036 IH Annotated Mild CC(=O)c1ccc([C@@H]2C[C@@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@@H]3C[C@H]2O4)cc1 ZINC000253989056 IH Annotated Anodyne CC(=O)c1ccc([C@H]2C[C@@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@@H]3C[C@H]2O4)cc1 ZINC000253989057 IH Annotated Anodyne CC(=O)c1ccc([C@@H]2C[C@@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@H]3C[C@H]2O4)cc1 ZINC000253989058 IH Annotated Anodyne CC(=O)c1ccc([C@H]2C[C@@]34CN(Cc5cccc(Cl)c5)S(=O)(=O)[C@H]3C[C@H]2O4)cc1 ZINC000253989059 IH Annotated Anodyne O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000254011670 IH Annotated Reactive C=CC[C@@H]1C=C[C@H](ON=C(C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@@H](CO)O1 ZINC000254013254 IH Annotated Mild C=CC[C@@H]1C=C[C@@H](ON=C(C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@@H](CO)O1 ZINC000254013263 IH Annotated Mild C=CC[C@@H]1C=C[C@@H](ON=C(C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@H](CO)O1 ZINC000254013272 IH Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C(C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@H](CO)O1 ZINC000254013277 IH Annotated Mild CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@H]1c1ccc2ccccc2c1 ZINC000254042169 IH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254042191 IH Annotated Anodyne CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H](O)COCc1ccco1)C2 ZINC000254043169 IH Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@H](O)COCc1ccco1)C2 ZINC000254043176 IH Annotated Mild COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@H](C)[C@H]2O[C@]12C ZINC000254047932 IH Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@H](C)[C@@H]2O[C@@]21C ZINC000254047937 IH Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@H](C)[C@@H]2O[C@]21C ZINC000254047941 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C ZINC000254048518 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C ZINC000254048520 IH Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000254051221 IH Annotated Anodyne CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000254120073 IH Annotated Mild CN1CCN(CCN2CC[C@]3(N(C)C)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000254127823 IH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]2OC(C)=O)C1 ZINC000254129550 IH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000254129553 IH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000254129554 IH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000254129556 IH Annotated Mild COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000254134303 IH Annotated Anodyne C[C@H]1O[C@H]2CO[C@@H](C)O[C@@H]2[C@H](C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)O1 ZINC000254134368 IH Annotated Mild C[C@H]1O[C@H]2CO[C@@H](C)O[C@H]2[C@H](C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)O1 ZINC000254134372 IH Annotated Mild C[C@@H]1OC[C@@H]2O[C@H](C)O[C@H](C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)[C@@H]2O1 ZINC000254134376 IH Annotated Mild N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccco3)nc(Br)c3cccnc23)CC1 ZINC000254134805 IH Annotated Anodyne COC(=O)C1=CN(C2CCCCC2)[C@]2(c3ccccc3)c3ccccc3C(=O)OC(=O)[C@@H]12 ZINC000254201027 IH Annotated Reactive COC(=O)C1=CN(C2CCCCC2)[C@@]2(c3ccccc3)c3ccccc3C(=O)OC(=O)[C@@H]12 ZINC000254201028 IH Annotated Reactive O=C(O)c1ccccc1N=N/C(=N/Nc1cc(S(=O)(=O)O)ccc1O)c1ccccc1 ZINC000254224424 IH Annotated Mild CCN(CC)c1nc(NN=Cc2cccc([N+](=O)[O-])c2OC)nc(Nc2ccccc2)n1 ZINC000254294319 IH Annotated Mild C#CCn1c(=NC(=O)c2ccc(Br)s2)sc2cc(NC(C)=O)ccc21 ZINC000254311102 IH Annotated Mild Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=Nc2cccc(C(N)=O)c2)cc1 ZINC000254317395 IH Annotated Anodyne CCn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000254319778 IH Annotated Reactive aggregator CCn1[nH]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1 ZINC000254380518 IH Annotated Anodyne COc1ccc(Cl)cc1N1C(=NC(=O)C2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254394202 IH Annotated Mild COc1ccc(Cl)cc1N1C(=NC(=O)C2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254394203 IH Annotated Mild COc1ccc(Cl)cc1N1C(=NC(=O)C2CCCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254394204 IH Annotated Mild COc1ccc(Cl)cc1N1C(=NC(=O)C2CCCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254394205 IH Annotated Mild CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc4c(c3)OCO4)S2)cc1 ZINC000254397078 IH Annotated Mild COc1ccc(C=Nn2c(S)nnc2-c2[nH]nc3c2CCC3)cc1OCc1ccccc1 ZINC000254493160 IH Annotated Mild COC(=O)c1cc(=O)n(CCc2ccc(OC)cc2)c(=Nc2ccc(F)c(Cl)c2)s1 ZINC000254505513 IH Annotated Anodyne C=CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1=Nc1ccccc1 ZINC000254566272 IH Annotated Mild C=CCn1c(=NC(=O)c2cc(Cl)sc2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254740347 IH Annotated Mild Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1N=Cc1cccc(O)c1 ZINC000254815385 IH Annotated Mild aggregator COc1cc(C=Nn2c(S)nnc2-c2[nH]nc3c2CCC3)ccc1OCc1ccccc1 ZINC000254825605 IH Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000254838493 IH Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000254838495 IH Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000254838497 IH Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000254838499 IH Annotated Mild Oc1ccc(Br)cc1/C=N/Nc1nc2nonc2nc1Nc1ccc(F)cc1 ZINC000025809677 IH Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)C5 ZINC000255193731 IH Annotated Anodyne C[C@@H]1C[C@H](O)[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@H]1[C@H](O)C5 ZINC000255193734 IH Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C5 ZINC000255193736 IH Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000255195939 IH Annotated Mild C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N@+]2([O-])C1 ZINC000255195982 IH Annotated Bother C[C@H]1CC[C@H]2[C@H](C)[C@H]3C[C@H](O)[C@@H]4C(=C3CN2C1)C[C@H]1[C@H]4C[C@@H](O)[C@H]2C[C@H](O)CC[C@@]21C ZINC000255196912 IH Annotated Anodyne C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3C[N@@+]2([O-])C1 ZINC000255197640 IH Annotated Bother C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@+]2([O-])C1 ZINC000255197641 IH Annotated Bother C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2([O-])C1 ZINC000255197642 IH Annotated Bother C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2([O-])C1 ZINC000255197643 IH Annotated Bother C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)C4=CC(=O)[C@]3(C)[C@H]1[C@@H]2C ZINC000255200073 IH Annotated Mild C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@]34C=CC(=O)O[C@H]3O4)C[C@H]3O[C@@]312 ZINC000255202750 IH Annotated Anodyne CN[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]4C=C[C@H]3[C@@]1(C)CO ZINC000255202782 IH Annotated Anodyne C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000255202887 IH Annotated Anodyne C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000255202889 IH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](C)[C@H]3[C@@H](O)C[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000255207510 IH Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3C4=C([C@H](O)[C@H]3[C@@H]2CN2C[C@H](C)C[C@H](O)[C@@H]12)[C@@]1(C)CC[C@H](O)C[C@H]1CC4 ZINC000255208931 IH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](C)[C@H]3[C@@H](O)C[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000255209298 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]3CC4=C(C[C@H](O)[C@@H]5C[C@H](O)CC[C@]45C)[C@H]3CC[C@H]1[C@]2(C)O ZINC000255212893 IH Annotated Anodyne C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)[C@@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000255214211 IH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2[C@H](O)C[C@@]2(C)[C@@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000255214234 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2[C@H](O)C[C@@]2(C)[C@H](c3ccoc3)C[C@@H]3O[C@@]321 ZINC000255214235 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@H]2[C@H](O)C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000255214237 IH Annotated Mild C=C1CC[C@@]2(OC1)O[C@H]1C[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]1[C@@H]2C ZINC000255214459 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H](C4=C[C@H](O)OC4=O)[C@]3(C)CC[C@H]21 ZINC000255218121 IH Annotated Mild C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)C4=C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000255218308 IH Annotated Mild C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@](C)(O)CO2 ZINC000255219782 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C[C@H]3[C@@H]4C[C@H]5[C@@H](CC(=O)[C@H]6C[C@@H](O)CC[C@@]65C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 ZINC000255220026 IH Annotated Anodyne C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@H]31)[C@@]2(C)O ZINC000255220027 IH Annotated Anodyne C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@H]31)[C@@]2(C)O ZINC000255220028 IH Annotated Anodyne C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H]13)[C@]2(C)O ZINC000255220029 IH Annotated Anodyne C[C@@H]1CC[C@H]2N(C[C@H]3[C@@H]4C[C@H]5[C@@H](CC(=O)[C@H]6C[C@H](O)CC[C@@]65C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 ZINC000255220030 IH Annotated Anodyne C[C@@]12CC[C@@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@@H]12 ZINC000255220157 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 ZINC000255220290 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5C[C@@H](O)[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 ZINC000255220291 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]3C[C@H]4[C@@H](C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000255220292 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C[C@H]3[C@@H]4C[C@H]5[C@@H](C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]56C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 ZINC000255220293 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255220595 IH Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5C[C@@H](O)[C@@]6(O)C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 ZINC000255221454 IH Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23C(=O)/C=C/[C@@](C)(O)C1 ZINC000255224610 IH Annotated Mild C[C@@H]1C/C=C/[C@@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32C(=O)/C=C/[C@](C)(O)C1 ZINC000255224612 IH Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3C[N@@+]2([O-])C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](O)C5 ZINC000255225803 IH Annotated Bother C[C@@H]1C[C@@H](O)[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3C[N@+]2([O-])C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)C5 ZINC000255225804 IH Annotated Bother C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)C4=CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255230123 IH Annotated Mild C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@](C)(CO)O2 ZINC000255247172 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@](C)(CO)O2 ZINC000255247176 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@](C)(CO)O2 ZINC000255247179 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@](C)(CO)O2 ZINC000255247182 IH Annotated Anodyne C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@@H]5[C@@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000255247966 IH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000255247970 IH Annotated Anodyne C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000255247971 IH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@H]1[C@@H](O)[C@@H](O)[C@@]1(C)[C@@H]3C(=O)C[C@@H](c4ccoc4)[C@]3(C)CC[C@H]21 ZINC000255253446 IH Annotated Mild CC(C)C(=O)[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)O1 ZINC000255255295 IH Annotated Anodyne CC(C)C(=O)[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)O1 ZINC000255255296 IH Annotated Anodyne CC(C)C(=O)[C@@H]1C[C@@H](C)[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]23C)O1 ZINC000255255297 IH Annotated Anodyne CC(C)C(=O)[C@H]1C[C@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)O1 ZINC000255255298 IH Annotated Anodyne C[C@@H]1CN2C[C@@H]3[C@@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]43)C[C@@H]2[C@](C)(O)C1 ZINC000255256647 IH Annotated Anodyne C[C@@H]1CN2C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)C[C@@H]2[C@](C)(O)C1 ZINC000255256649 IH Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)O[C@@]12CC[C@@]1(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@H]1CC3 ZINC000255258543 IH Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)O[C@@]12CC[C@@]1(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3 ZINC000255258545 IH Annotated Anodyne COc1cc2c(cc1O)C[C@@H]1c3cc(O)c(O)cc3C[C@H]3c4cc(O)c(O)cc4CC[N@+]231 ZINC000255260408 IH Annotated Clean C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C ZINC000255261711 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H](C4=CC(=O)O[C@@H]4O)[C@]3(C)CC[C@H]21 ZINC000255262286 IH Annotated Mild C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@+]2([O-])C1 ZINC000255263405 IH Annotated Bother C[C@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@H]3C[N@+]2([O-])C1 ZINC000255263406 IH Annotated Bother CC(C)(O)CCC[C@](C)(O)[C@H]1CC=C2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255266245 IH Annotated Anodyne C[C@H]([C@H]1NC[C@H](C)C[C@@H]1O)[C@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255268107 IH Annotated Anodyne C[C@H]([C@H]1NC[C@H](C)C[C@H]1O)[C@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255268108 IH Annotated Anodyne CC1(C)[C@H](O)C[C@H](O)[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](c5ccoc5)CC(=O)[C@H]4[C@]3(C)[C@H](O)C[C@H]12 ZINC000255271930 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)O[C@@]12OC[C@H](C)C[C@H]2O ZINC000255272170 IH Annotated Anodyne CC[C@@H](C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@H]1C[C@@H](O)[C@H](C(=O)O)O1 ZINC000255272302 IH Annotated Mild C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000255273164 IH Annotated Anodyne C[C@H]1OC(=O)[C@H]2[C@H]1[C@@H](O)C[C@@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@@]12CO ZINC000255274046 IH Annotated Anodyne CN[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 ZINC000255274564 IH Annotated Anodyne CC(=O)OC[C@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2C=C[C@H](O)[C@]21C ZINC000255275047 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3C4=CC[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255280226 IH Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@](C)(CO)[C@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255280499 IH Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255280500 IH Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255280501 IH Annotated Anodyne CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255280502 IH Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H](C4=CC(=O)O[C@@H]4O)[C@]3(C)CC[C@H]21 ZINC000255281963 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](CC3=C4CC[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255285754 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@](C)(CO)O2 ZINC000255286261 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@](C)(CO)O2 ZINC000255286263 IH Annotated Anodyne C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1C(=O)C3 ZINC000255286655 IH Annotated Anodyne C[C@H]([C@@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1C(=O)C3 ZINC000255286656 IH Annotated Anodyne CC(C)[C@H]1O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@H]2[C@@H](C)CC1=O ZINC000255287606 IH Annotated Anodyne CC(C)[C@H]1O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@H]2[C@H](C)CC1=O ZINC000255287607 IH Annotated Anodyne CC(C)[C@H]1O[C@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@@H]2[C@H](C)CC1=O ZINC000255287608 IH Annotated Anodyne CC(C)[C@H]1O[C@H]2C[C@@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@@H]2[C@H](C)CC1=O ZINC000255287609 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@](C)(O)CO2 ZINC000255287671 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@](C)(O)CO2 ZINC000255287672 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@](C)(O)CO2 ZINC000255287673 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@](C)(O)CO2 ZINC000255287674 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@](C)(O)CO2 ZINC000255287675 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@](C)(O)CO2 ZINC000255287676 IH Annotated Anodyne O=C(c1ccccc1Cn1cncn1)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000257310572 IH Annotated Anodyne O=C(c1ccccc1Cn1cncn1)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000257310573 IH Annotated Anodyne C[C@H]1CC[C@]2(OC1)O[C@H]1[C@@H]([C@H]2C)[C@@]2(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@H]2[C@H]1O ZINC000257398099 IH Annotated Anodyne C[C@@H]1CC[C@]2(OC1)O[C@H]1[C@@H]([C@H]2C)[C@@]2(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@H]2[C@H]1O ZINC000257398100 IH Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1[C@@H]([C@H]2C)[C@@]2(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@H]2[C@H]1O ZINC000257398101 IH Annotated Anodyne C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@@H]([C@H]2C)[C@@]2(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@H]2[C@H]1O ZINC000257398102 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2 ZINC000257424029 IH Annotated Anodyne CN[C@@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257427264 IH Annotated Anodyne CN[C@H](C)[C@@H]1[C@@H](O)C[C@]2(C)[C@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257427265 IH Annotated Anodyne CN[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257427266 IH Annotated Anodyne CN[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)[C@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257427267 IH Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@@H]1C[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]1[C@H]2C ZINC000257431705 IH Annotated Mild C=C1CC[C@@]2(OC1)O[C@@H]1C[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]1[C@@H]2C ZINC000257431706 IH Annotated Mild C=C1CC[C@]2(OC1)O[C@@H]1C[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]1[C@H]2C ZINC000257431707 IH Annotated Mild C=C1CC[C@]2(OC1)O[C@@H]1C[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]1[C@@H]2C ZINC000257431708 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 ZINC000257440392 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(C(=O)[C@H](C)[C@H](C)O)=C3C2=CO1 ZINC000257440393 IH Annotated Mild C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3C4=CCC5=CC(=O)[C@H](O)C[C@]5(C)[C@@H]4C[C@H](O)[C@]3(C)[C@@H]1[C@H]2C ZINC000257524912 IH Annotated Mild C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3C4=CCC5=CC(=O)[C@H](O)C[C@]5(C)[C@@H]4C[C@H](O)[C@]3(C)[C@H]1[C@H]2C ZINC000257524913 IH Annotated Mild C[C@H]1[C@@H]2[C@@H](C[C@@H]3C4=CCC5=CC(=O)[C@H](O)C[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000257524914 IH Annotated Mild C[C@H]1[C@H]2[C@@H](C[C@@H]3C4=CCC5=CC(=O)[C@H](O)C[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257524915 IH Annotated Mild C[C@@H]1CC[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@]45C)[C@@H]3C[N@@+]2([O-])C1 ZINC000257535652 IH Annotated Bother C[C@@H]1CC[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@]45C)[C@@H]3C[N@+]2([O-])C1 ZINC000257535653 IH Annotated Bother C[C@@H]1CC[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@]45C)[C@H]3C[N@@+]2([O-])C1 ZINC000257535654 IH Annotated Bother C[C@@H]1CC[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@]45C)[C@H]3C[N@+]2([O-])C1 ZINC000257535655 IH Annotated Bother Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@]12O ZINC000257553276 IH Annotated Reactive Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@@]12O ZINC000257553277 IH Annotated Reactive Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@]12O ZINC000257553278 IH Annotated Reactive CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)O2)C[C@@H]1[C@@]1(C)C=CC(=O)O1 ZINC000257567537 IH Annotated Anodyne CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)O2)C[C@H]1[C@@]1(C)C=CC(=O)O1 ZINC000257567538 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000257631298 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 ZINC000257631299 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 ZINC000257631300 IH Annotated Anodyne CCCCCn1cnc2c(C#CC#Cc3ncnc4c3ncn4CCCCC)ncnc21 ZINC000026002258 IH Annotated Mild O=[S@]1O[C@H](c2ccc(F)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026006080 IH Annotated Mild O=[S@@]1O[C@H](c2ccc(F)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026006086 IH Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)S1 ZINC000026024179 IH Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)S1 ZINC000026024185 IH Annotated Mild CN(C)CCCOc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)n(Cc2ccccc2)n1 ZINC000026026600 IH Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(F)c3)CC1)C(C)(C)C2 ZINC000026147843 IH Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(F)c3)CC1)C(C)(C)C2 ZINC000026147851 IH Annotated Clean O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@H](O)C[C@H]2C1 ZINC000026149035 IH Annotated Bother O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC000026149043 IH Annotated Bother O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC000026149052 IH Annotated Bother Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccc(F)cc3)CC1)C(C)(C)C2 ZINC000026159986 IH Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccc(F)cc3)CC1)C(C)(C)C2 ZINC000026159993 IH Annotated Clean COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC ZINC000026160186 IH Annotated Mild COc1cc2cc(C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC ZINC000026160194 IH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)Oc4c(c(O)cc(CO)c4CO)C[C@@H]32)C1(C)C ZINC000026169299 IH Annotated Anodyne COc1ccc(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1 ZINC000026173097 IH Annotated Clean COc1ccc(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1 ZINC000026173102 IH Annotated Clean CCOC(=O)N1c2ccccc2C(=O)C[C@@H]1C#C/C=C\C#CCS(=O)(=O)c1ccccc1 ZINC000026273321 IH Annotated Mild CCOC(=O)N1c2ccccc2C(=O)C[C@H]1C#C/C=C\C#CCS(=O)(=O)c1ccccc1 ZINC000026273325 IH Annotated Mild CCOC(=O)N1c2ccccc2[C@@H]2O[C@@H]2[C@@H]1C#C/C=C\C#CCS(=O)(=O)c1ccccc1 ZINC000026277783 IH Annotated Mild CCOC(=O)N1c2ccccc2[C@@H]2O[C@@H]2[C@H]1C#C/C=C\C#CCS(=O)(=O)c1ccccc1 ZINC000026277787 IH Annotated Mild CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2nc[nH]n2)cc1 ZINC000026277967 IH Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N(C)C)ccc3n(C)c12 ZINC000026288531 IH Annotated Bother Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCCOc2ccccc2)c1 ZINC000026399959 IH Annotated Anodyne COCCn1nnnc1[C@H](c1ccccn1)N(CCc1ccccc1)Cc1cccs1 ZINC000026439123 IH Annotated Anodyne COCCn1nnnc1[C@@H](c1ccccn1)N(CCc1ccccc1)Cc1cccs1 ZINC000026439126 IH Annotated Anodyne Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 ZINC000026486916 IH Annotated Anodyne CCCCC(=O)OC[C@@]1(C)CCc2c(C)c(OC(=O)[C@@H](N)CCCCN)c(C)c(C)c2O1 ZINC000026488557 IH Annotated Anodyne CCCCC(=O)OC[C@]1(C)CCc2c(C)c(OC(=O)[C@@H](N)CCCCN)c(C)c(C)c2O1 ZINC000026488562 IH Annotated Anodyne Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 ZINC000026493624 IH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCNC4=O)CC3)cc12 ZINC000261071606 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC000261075926 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1F ZINC000261075927 IH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nnn(C)c4c3)c2cn1)c1ccc(F)cc1 ZINC000261083577 IH Annotated Anodyne COC[C@H](C)N(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000261087069 IH Annotated Mild COC[C@@H](C)N(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000261087070 IH Annotated Mild Cc1cc(N2C(=O)c3nn(C4COC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261087793 IH Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4COC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261087794 IH Annotated Anodyne NCc1cc2ccccc2n1-c1cc(NCc2ccccc2)c2c(n1)CN(C(N)=O)CC2 ZINC000261090718 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC[C@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000261091105 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000261091106 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000261091107 IH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC[C@@]23CCCC[C@H]2C3(F)F)cc1F ZINC000261091109 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3c[nH]nc3C3CCC3)c2)c2cncnc21 ZINC000261094290 IH Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCNC1 ZINC000261095427 IH Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCNC1 ZINC000261095429 IH Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cccnc1 ZINC000261101940 IH Annotated Anodyne CCC1=CC[C@H](COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 ZINC000261103247 IH Annotated Anodyne CCC1=CC[C@@H](COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 ZINC000261103249 IH Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000261107413 IH Annotated Mild CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2[C@H]3CC4C[C@H]2CC(Cl)(C4)C3)cc1F ZINC000261116281 IH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1F ZINC000261117167 IH Annotated Anodyne CN1C[C@H](c2ccccc2)[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1 ZINC000261117203 IH Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000261117939 IH Annotated Mild COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cncc(OC)c3)c2cn1)c1ccc(F)cc1 ZINC000261123584 IH Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)c4cccc5cc[nH]c45)ncc23)ccn1 ZINC000261123770 IH Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CO)c4cccc5cc[nH]c45)ncc23)ccn1 ZINC000261123772 IH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3[nH]nc4ccccc34)c2)c2cncnc21 ZINC000261125231 IH Annotated Anodyne Cc1nn(C2COC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261131675 IH Annotated Anodyne Cc1nn(C2COC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261131676 IH Annotated Anodyne CCOC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261134865 IH Annotated Anodyne CCCOC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 ZINC000261134958 IH Annotated Anodyne CS(=O)(=O)N[C@@H](c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1)C(F)(F)F ZINC000261137808 IH Annotated Anodyne CS(=O)(=O)N[C@@H](c1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1)C(F)(F)F ZINC000261137809 IH Annotated Anodyne C[C@H]1CCC[C@@H](C)[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1Cl ZINC000261147790 IH Annotated Anodyne Cc1cc(N2C(=O)c3c(c(CO)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261149936 IH Annotated Anodyne Cc1cc(N2C(=O)c3c(c(CO)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261149941 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1F ZINC000261153886 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CC[C@@H](C(F)(F)F)CC2)cc1F ZINC000261153888 IH Annotated Anodyne COCc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261155888 IH Annotated Anodyne COCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261155891 IH Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(O)nc1=O ZINC000261160392 IH Annotated Anodyne O=C(c1cccc(F)c1-n1ccnn1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261164450 IH Annotated Anodyne NCCOc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 ZINC000261173013 IH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc(C(F)(F)F)c(NC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000261174970 IH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2[C@H]3CC4C[C@H]2CC(F)(C4)C3)cc1F ZINC000261180191 IH Annotated Anodyne C[C@H]1CCC[C@@H](C)[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000261183104 IH Annotated Anodyne [C-]#[N+][C@H]1C[C@@H]([N+]2(C)CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261185081 IH Annotated Reactive Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@H]2C ZINC000261186044 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@H]2C ZINC000261186046 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C ZINC000261186047 IH Annotated Anodyne CCN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1c(C)noc1C ZINC000261187889 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@H]1C=C[C@@H](n3cc(C)c(O)nc3=O)O1)O2 ZINC000261187983 IH Annotated Anodyne [C-]#[N+][C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261189367 IH Annotated Reactive CNc1cc(N2C(=O)c3c(c(C)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)nn2c(C)nnc12 ZINC000261190439 IH Annotated Anodyne CNc1cc(N2C(=O)c3c(c(C)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)nn2c(C)nnc12 ZINC000261190440 IH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O ZINC000261191423 IH Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000263590402 IH Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000263590403 IH Annotated Anodyne C[C@@H]1[C@H](CCC(C)(C)O)O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]12 ZINC000263590662 IH Annotated Anodyne C[C@@H]1[C@H](CCC(C)(C)O)O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12 ZINC000263590663 IH Annotated Anodyne C[C@@H]1[C@H](CCC(C)(C)O)O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000263590664 IH Annotated Anodyne C[C@@H]1[C@H](CCC(C)(C)O)O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000263590665 IH Annotated Anodyne CCOC(=O)CCCNC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000263590887 IH Annotated Anodyne CCOC(=O)CCCNC(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000263590888 IH Annotated Anodyne CCOc1ccccc1OCC(=O)NN/C=C1\SC(=Nc2ccccc2)N=C1Cl ZINC000263591399 IH Annotated Reactive COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000263591750 IH Annotated Mild Cc1c(N=C2SCC(=O)N2/N=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000263592094 IH Annotated Mild C[N+](C)(C)CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 ZINC000263614408 IH Annotated Bother O=S(=O)(OC1C=CCC=C1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000263620265 IH Annotated Mild N=C(N)[C@@H]1C=C(Cn2c(C(=O)OC[C@H]3CCC[C@H](C(=N)N)C3)cc3ccccc32)C=CC1 ZINC000263621023 IH Annotated Anodyne in-vitro N=C(N)[C@@H]1C=C(Cn2c(C(=O)OC[C@H]3CCC[C@@H](C(=N)N)C3)cc3ccccc32)C=CC1 ZINC000263621024 IH Annotated Anodyne in-vitro N=C(N)[C@@H]1C=C(Cn2c(C(=O)OC[C@@H]3CCC[C@@H](C(=N)N)C3)cc3ccccc32)C=CC1 ZINC000263621025 IH Annotated Anodyne in-vitro Oc1ncnc2c(-n3cc(CCN4CCC(c5ccc(Cl)cc5)CC4)cn3)nccc12 ZINC000263621056 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000026500916 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026500919 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026500921 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CCCCl)C2=O)OCO4 ZINC000026501466 IH Annotated Reactive O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCCc1cccs1 ZINC000026501780 IH Annotated Clean CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000026502487 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026502490 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026502492 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000026502697 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026502700 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026502702 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CCCN=[N+]=[N-])C2=O)OCO4 ZINC000026504401 IH Annotated Clean CN1Cc2cccnc2[C@@H](N2CCN(C(=O)Cc3ccncc3)CC2)c2ccc(Cl)cc21 ZINC000026506402 IH Annotated Anodyne CN1Cc2cccnc2[C@H](N2CCN(C(=O)Cc3ccncc3)CC2)c2ccc(Cl)cc21 ZINC000026506407 IH Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(SCc2ccccn2)nc2ccccc21 ZINC000026507923 IH Annotated Bother O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCCc1ccsc1 ZINC000026566558 IH Annotated Clean CCCCC[C@@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026568720 IH Annotated Anodyne CCCCC[C@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026568723 IH Annotated Anodyne CCN(CC)C(=O)CCn1c(=O)c(-c2ccc(OC)cc2)cc2c(OC)cc(OC)cc21 ZINC000026572741 IH Annotated Anodyne Cn1c2ccccc2c2nn(CCOS(C)(=O)=O)c3cc4c(c1c23)C=CC(C)(C)O4 ZINC000026578904 IH Annotated Mild CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(OC)cc1 ZINC000026644579 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(OC)cc1 ZINC000026644585 IH Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(C)cc1 ZINC000026644589 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(C)cc1 ZINC000026644593 IH Annotated Anodyne NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(F)cccc12 ZINC000026650215 IH Annotated Anodyne O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 ZINC000026651739 IH Annotated Anodyne O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 ZINC000026653559 IH Annotated Anodyne O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 ZINC000026654184 IH Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1F ZINC000026657911 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1F ZINC000026657917 IH Annotated Anodyne O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 ZINC000026662049 IH Annotated Anodyne O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 ZINC000026662853 IH Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(OC)c1 ZINC000026662870 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(OC)c1 ZINC000026662875 IH Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000026663064 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000026663068 IH Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1C ZINC000026663910 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1C ZINC000026663915 IH Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(C)c1 ZINC000026664358 IH Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(C)c1 ZINC000026664363 IH Annotated Anodyne CC[C@@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000026720898 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000026720903 IH Annotated Anodyne CC[C@@H](C)c1ccc2c(c1)CO[P@@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000026720908 IH Annotated Anodyne CC[C@H](C)c1ccc2c(c1)CO[P@@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000026720912 IH Annotated Anodyne CC[C@@H](C)c1cccc2c1O[P@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000026720920 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000026720924 IH Annotated Anodyne CC[C@@H](C)c1cccc2c1O[P@@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000026720929 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@@](=O)(OC[C@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000026720933 IH Annotated Anodyne O=c1ccccn1[C@@H]1c2cc(C(F)(F)C(F)(F)F)ccc2OC(CF)(CF)[C@H]1O ZINC000026729126 IH Annotated Mild O=C(N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000026733614 IH Annotated Bother CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000026746348 IH Annotated Anodyne in-vitro C=CCOC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)cc1)C3=CC2=O ZINC000026747594 IH Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C)c35)[nH]c2c(OC)c1OC ZINC000026748429 IH Annotated Mild CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1)N1CCN(c2ccccn2)CC1 ZINC000026822160 IH Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1)N1CCN(c2ccccn2)CC1 ZINC000026822165 IH Annotated Anodyne O=C(NO)[C@@H](CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1 ZINC000026822229 IH Annotated Bother O=C(NO)[C@H](CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1 ZINC000026822234 IH Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000026831998 IH Annotated Bother O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OCC(F)(F)F)c1 ZINC000026832133 IH Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000026835779 IH Annotated Bother COc1cc(-c2c3c(nc4cc(OC)c(OC)c(OC)c24)COC3=O)cc(OC)c1OC ZINC000026844723 IH Annotated Anodyne CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3[n+](C)c2c1 ZINC000026846767 IH Annotated Clean CC(=O)Nc1ccc2c(c1)c(Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1[n+]2C ZINC000026848056 IH Annotated Clean CSC1=C(CO[P@@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O ZINC000026850527 IH Annotated Reactive CSC1=C(CO[P@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O ZINC000026850531 IH Annotated Reactive CCc1sc(NS(=O)(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC000026936058 IH Annotated Anodyne CC1(C)OC(=O)C(Oc2ncc(Cl)cc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000026938122 IH Annotated Anodyne CN1c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)nc2C(N)=NS1(=O)=O ZINC000026959156 IH Annotated Anodyne CC1(C)COC(=O)/C=C/C=C/CCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000026960104 IH Annotated Anodyne CC1(C)COC(=O)/C=C/C=C/CCCCCCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026960115 IH Annotated Anodyne CC1(C)COC(=O)/C=C/C=C\CCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000026960260 IH Annotated Anodyne CC1(C)COC(=O)/C=C/C=C\CCCCCCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026960268 IH Annotated Anodyne CCN1c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O ZINC000026968257 IH Annotated Anodyne CCOC(=O)c1cnc2c(c1Cl)C(=O)c1c(-c3ccccc3[N+](=O)[O-])ccnc1C2=O ZINC000026970344 IH Annotated Clean Cc1c(C)c2c(c(C)c1OC(=O)c1ccc(N)cc1)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026972282 IH Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)c1ccc(N)cc1)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026972290 IH Annotated Anodyne CN(CCc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000026981017 IH Annotated Anodyne CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000026981968 IH Annotated Anodyne CC/C=C/OCn1c(=O)c2cc(OC)c(OC)cc2c2nnc3cc4c(cc3c21)OCO4 ZINC000026985661 IH Annotated Bother CN1c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O ZINC000026990726 IH Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000027029460 IH Annotated Mild Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000027029466 IH Annotated Mild O=C[C@@H]1O[C@H](c2ccccc2)O[C@H](CC(=O)Oc2ccccc2)[C@H]1C(=O)Oc1ccccc1 ZINC000027080583 IH Annotated Mild C=C=C1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@@H]12 ZINC000027088609 IH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc(OC)c1OC ZINC000027091542 IH Annotated Anodyne COc1cc([C@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc(OC)c1OC ZINC000027091548 IH Annotated Anodyne CCN(CC)CCn1[nH]c2c3cc(OC)ccc3nc3c([N+](=O)[O-])cc([N+](=O)[O-])c1c32 ZINC000027104803 IH Annotated Bother CSc1nc(=O)ccn1COC(COCc1ccccc1)COCc1ccccc1 ZINC000027181910 IH Annotated Anodyne CCOC(=O)C[C@@]1(C)C(=O)CC[C@@]2(C)c3cc(OC(C)=O)c(OC(C)=O)cc3CC[C@H]12 ZINC000027187740 IH Annotated Anodyne COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000027191004 IH Annotated Clean CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC(C(C)=O)=C1[C@@]2(C)CC[C@H]2OC(=O)C[C@]12C ZINC000027191043 IH Annotated Mild CC(=O)NNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000027196730 IH Annotated Reactive Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)CC2CCCCC2)c1 ZINC000027202313 IH Annotated Mild CN(CCO)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000027206359 IH Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(C)=O)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208272 IH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(C)=O)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208276 IH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208814 IH Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208817 IH Annotated Clean CCC1(CC)C(=O)N(C(=O)NCCC(=O)c2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209398 IH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCC(=O)c2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209402 IH Annotated Anodyne CN(CCc1ccccc1)C(=O)CN1C=C(C(=O)O)[C@H]2C1=CC=C[C@@H]2OCc1ccccc1 ZINC000027209638 IH Annotated Anodyne CN(CCc1ccccc1)C(=O)CN1C=C(C(=O)O)[C@@H]2C1=CC=C[C@@H]2OCc1ccccc1 ZINC000027209642 IH Annotated Anodyne CN(CCc1ccccc1)C(=O)CN1C=C(C(=O)O)[C@H]2C1=CC=C[C@H]2OCc1ccccc1 ZINC000027209645 IH Annotated Anodyne CN(CCc1ccccc1)C(=O)CN1C=C(C(=O)O)[C@@H]2C1=CC=C[C@H]2OCc1ccccc1 ZINC000027209649 IH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210417 IH Annotated Bother CCC1(CC)C(=O)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210420 IH Annotated Bother CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)c(OC)c2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027211723 IH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)c(OC)c2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027211727 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1[C@H](CO)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000027213490 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1[C@H](CO)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000027213494 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1[C@H](CO)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000027213498 IH Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c1cc(C(=O)N3CCN(c4ccccc4)CC3)c(C)cc1n2O ZINC000027216770 IH Annotated Anodyne O=C(Oc1c(Br)cc(Br)cc1Br)c1cnccn1 ZINC000027300239 IH Annotated Anodyne COC(=O)c1ccccc1S[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000027308785 IH Annotated Anodyne CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1 ZINC000027312464 IH Annotated Anodyne COc1cccc([C@@H]2Nc3ccccc3CN2NS(=O)(=O)c2ccc(C)cc2)c1O ZINC000027329593 IH Annotated Clean COc1cccc([C@H]2Nc3ccccc3CN2NS(=O)(=O)c2ccc(C)cc2)c1O ZINC000027329597 IH Annotated Clean O=C(Cc1ccccn1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027411953 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027411959 IH 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@]32O4 ZINC000027418134 IH Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3cc(O)c(F)cc3[C@H]12 ZINC000027423878 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3cc(O)c(F)cc3[C@H]12 ZINC000027423883 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@H]2C=Cc3cc(O)c(F)cc3[C@H]12 ZINC000027423886 IH Annotated Reactive CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@@H]2[C@H]2C=Cc3cc(O)c(F)cc3[C@H]12 ZINC000027423891 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3c(ccc(O)c3F)[C@H]12 ZINC000027424054 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3c(ccc(O)c3F)[C@H]12 ZINC000027424059 IH Annotated Reactive CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@H]2C=Cc3c(ccc(O)c3F)[C@H]12 ZINC000027424063 IH Annotated Reactive CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@@H]2[C@H]2C=Cc3c(ccc(O)c3F)[C@H]12 ZINC000027424068 IH Annotated Reactive CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]3C[C@@]4(CO3)[C@@H](CC[C@@]43CCC(=O)O3)[C@@H]21 ZINC000027438116 IH Annotated Mild CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCO)C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027440616 IH Annotated Mild CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCO)C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027440622 IH Annotated Mild N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000027442453 IH Annotated Bother CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCO)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000027517517 IH Annotated Mild CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCO)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000027517518 IH Annotated Mild C[C@H]1C(=O)N(S(=O)(=O)/C=C/c2ccccc2)[C@H]2CC[C@H](C(=O)OCc3ccccc3)[C@@H]21 ZINC000027517707 IH Annotated Anodyne C[C@H]1C(=O)N(S(=O)(=O)/C=C/c2ccccc2)[C@H]2CC[C@@H](C(=O)OCc3ccccc3)[C@@H]21 ZINC000027517708 IH Annotated Anodyne C[C@@H]1C(=O)N(S(=O)(=O)/C=C/c2ccccc2)[C@H]2CC[C@H](C(=O)OCc3ccccc3)[C@H]12 ZINC000027520524 IH Annotated Anodyne C[C@@H]1C(=O)N(S(=O)(=O)/C=C/c2ccccc2)[C@H]2CC[C@@H](C(=O)OCc3ccccc3)[C@H]12 ZINC000027520526 IH Annotated Anodyne C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccc5)CC4)cc3n21 ZINC000027524398 IH Annotated Anodyne C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccc5)CC4)cc3n21 ZINC000027524399 IH Annotated Anodyne Cc1cccc2c(Nc3cc(N)cc(CO)c3)c3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027524550 IH Annotated Clean CNC[C@@]1(C)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027524727 IH Annotated Anodyne CNC[C@]1(C)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027524728 IH Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000027525996 IH Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000027525998 IH Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCCC4)nc3c2)n1 ZINC000027526911 IH Annotated Anodyne CC(C)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)O ZINC000027527055 IH Annotated Anodyne CCCNc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)O ZINC000027547270 IH Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc4c(I)cccc4c(c23)C1=O ZINC000027555249 IH Annotated Bother COc1ccc(-c2nc(CCc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC ZINC000027559763 IH Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]2(O)[C@@H]2CC[C@@H]3CC(=O)CC[C@]3(C)[C@@H]12 ZINC000027632142 IH Annotated Anodyne O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCCNCC1 ZINC000027634313 IH Annotated Bother COC(=O)CCCC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027635099 IH Annotated Reactive CCOC(=O)[C@@H]1Cc2cc(C(=O)c3cc(Cl)c(O)c(CN)c3)c(Cl)c(Cl)c2O1 ZINC000027653821 IH Annotated Clean CCOC(=O)[C@H]1Cc2cc(C(=O)c3cc(Cl)c(O)c(CN)c3)c(Cl)c(Cl)c2O1 ZINC000027653825 IH Annotated Clean O=C(N[C@H](C(=O)OCCCS)c1cccc2ccccc12)[C@@H]1COc2ccccc2O1 ZINC000027714268 IH Annotated Mild O=C(N[C@@H](C(=O)OCCCS)c1cccc2ccccc12)[C@@H]1COc2ccccc2O1 ZINC000027714275 IH Annotated Mild O=C(OCCCS)[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc2ccccc12 ZINC000027714281 IH Annotated Mild O=C(N[C@@H](C(=O)OCCCS)c1cccc2ccccc12)[C@H]1COc2ccccc2O1 ZINC000027714287 IH Annotated Mild CCOC(=O)N[C@H]1CCC2=C[C@@H](OC)[C@@H](OC)C(OC)=C2c2ccc(SC)c(=O)cc21 ZINC000027718531 IH Annotated Anodyne CCOC(=O)N[C@H]1CCC2=C[C@H](OC)[C@@H](OC)C(OC)=C2c2ccc(SC)c(=O)cc21 ZINC000027718538 IH Annotated Anodyne CCOC(=O)N[C@H]1CCC2=C[C@@H](OC)[C@H](OC)C(OC)=C2c2ccc(SC)c(=O)cc21 ZINC000027718544 IH Annotated Anodyne CCOC(=O)N[C@H]1CCC2=C[C@H](OC)[C@H](OC)C(OC)=C2c2ccc(SC)c(=O)cc21 ZINC000027718551 IH Annotated Anodyne N=c1c2c(=O)n(-c3ccc(F)cc3)c(=S)n3c2n(c(=S)n1-c1ccc(F)cc1)CC3 ZINC000027732324 IH Annotated Anodyne CN(C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccc([N+](=O)[O-])cc4)c3nc12 ZINC000027742572 IH Annotated Clean CC(=O)Oc1cc(C(=O)[C@@H](Br)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O ZINC000027760434 IH Annotated Reactive CC(=O)Oc1cc(C(=O)[C@H](Br)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O ZINC000027760442 IH Annotated Reactive CN(C)CCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027763579 IH Annotated Clean CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCCCC#N)cccc4c3nc12 ZINC000027843871 IH Annotated Mild CSCC[C@H](NC(=O)c1ccc(C#Cc2cncnc2)cc1-c1ccccc1C)C(=O)O ZINC000027846084 IH Annotated Mild CC(C)(C)c1cc(I)c(OS(=O)(=O)c2ccccc2)c(CN)c1 ZINC000027855830 IH Annotated Anodyne CC(=O)O[C@H]1[C@@H](CF)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027871425 IH Annotated Anodyne CC(=O)O[C@@H]1[C@H](CF)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027871432 IH Annotated Anodyne CC(=O)O[C@H]1[C@H](CF)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000027871438 IH Annotated Anodyne C#CCN1C(=O)N(CC#C)[C@H](Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]2[C@H]1Cc1ccccc1 ZINC000027887940 IH Annotated Mild CN(C(=O)COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000027899120 IH Annotated Bother CC[C@@]12C=C(C(=O)OCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027900092 IH Annotated Anodyne CCc1nn(-c2cccc(F)c2)c2nc(Oc3ccc4c(O)cc(=O)oc4c3)nc(N)c12 ZINC000027902509 IH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2Cc3ccccc3C2=O)CC1 ZINC000027977743 IH Annotated Anodyne CO[C@@H]1O[C@@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000027979486 IH Annotated Reactive CO[C@H]1O[C@@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000027979492 IH Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000027979496 IH Annotated Reactive CO[C@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000027979501 IH Annotated Reactive CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@@H](OC)c2scnc2C)CC1 ZINC000027982617 IH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@H](OC)c2scnc2C)CC1 ZINC000027982621 IH Annotated Anodyne O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC000027985482 IH Annotated Anodyne CCCCCOc1ccccc1/C=C/C(=O)Nc1cccc2c1O[C@H](c1nnn[nH]1)CO2 ZINC000028001391 IH Annotated Anodyne CCCCCOc1ccccc1/C=C/C(=O)Nc1cccc2c1O[C@@H](c1nnn[nH]1)CO2 ZINC000028001396 IH Annotated Anodyne CCCCCC#CCOc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 ZINC000028003214 IH Annotated Mild CCCCCC#CCOc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 ZINC000028003219 IH Annotated Mild CCCCCOc1cccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)c1 ZINC000028005834 IH Annotated Anodyne CCCCCOc1cccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)c1 ZINC000028005835 IH Annotated Anodyne COCCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000028009958 IH Annotated Mild COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)CCc1cc(OCCCN)ccc1-3 ZINC000028018825 IH Annotated Anodyne CCOC(=O)[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028020588 IH Annotated Mild CCOC(=O)[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028020592 IH Annotated Mild Cc1cnc(NC(=O)C2=C(O)c3sc4cc(Cl)ccc4c3S(=O)(=O)N2C)s1 ZINC000028086667 IH Annotated Anodyne COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1cc(C)sc1C)CC2 ZINC000028088357 IH Annotated Anodyne CCCOc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)cc1 ZINC000028094801 IH Annotated Mild CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000028103722 IH Annotated Bother COc1ccc(S(=O)(=O)n2c3c(c4cc(OC)ccc42)[C@H](CN(C)C)CCC3)cc1 ZINC000028105377 IH Annotated Anodyne COc1ccc(S(=O)(=O)n2c3c(c4cc(OC)ccc42)[C@@H](CN(C)C)CCC3)cc1 ZINC000028105384 IH Annotated Anodyne C=CCOc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)cc1 ZINC000028106863 IH Annotated Mild O=S(=O)(c1ccc(N2CCC2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1 ZINC000028113725 IH Annotated Anodyne CCOC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028116198 IH Annotated Anodyne O=C(O)c1cc2c(Br)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 ZINC000028116876 IH Annotated Anodyne CCOC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)ccc1N ZINC000028117285 IH Annotated Anodyne O=C1NCc2c1cc1c(Br)cc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 ZINC000028118450 IH Annotated Anodyne CN(CC1OCCO1)[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2NC12CCCCC2 ZINC000028118792 IH Annotated Anodyne CN(CC1OCCO1)[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2NC12CCCCC2 ZINC000028118799 IH Annotated Anodyne CN(CC1OCCO1)[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1 ZINC000028118936 IH Annotated Anodyne CN(CC1OCCO1)[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1 ZINC000028118943 IH Annotated Anodyne O=C(CCc1ccccc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028124643 IH Annotated Anodyne O=C(CCc1ccccc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028124646 IH Annotated Anodyne COC(CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1)OC ZINC000028124974 IH Annotated Anodyne COC(CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1)OC ZINC000028124980 IH Annotated Anodyne COC(CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1)OC ZINC000028124986 IH Annotated Anodyne COC(CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1)OC ZINC000028124993 IH Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028130194 IH Annotated Bother O=C(/C=C/c1cccs1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028133391 IH Annotated Anodyne O=C(/C=C/c1cccs1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028133398 IH Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](C)C(=O)O)CCCC3)cc2)c1 ZINC000028218883 IH Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](C)C(=O)O)CCCC3)cc2)c1 ZINC000028218888 IH Annotated Anodyne O=c1nc(/N=C/N(c2ccc(F)cc2)c2ccc(F)cc2)ccn1[C@H]1CS[C@H](CO)O1 ZINC000028219625 IH Annotated Mild O=c1nc(/N=C/N(c2ccc(F)cc2)c2ccc(F)cc2)ccn1[C@H]1CS[C@@H](CO)O1 ZINC000028219630 IH Annotated Mild O=c1nc(/N=C/N(c2ccc(F)cc2)c2ccc(F)cc2)ccn1[C@@H]1CS[C@H](CO)O1 ZINC000028219635 IH Annotated Mild O=c1nc(/N=C/N(c2ccc(F)cc2)c2ccc(F)cc2)ccn1[C@@H]1CS[C@@H](CO)O1 ZINC000028219639 IH Annotated Mild O=C1C=CC(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028227430 IH Annotated Anodyne NCCCOCCN(CCOCCCN)CCOC1CCCCCCCCCCC1 ZINC000028246678 IH Annotated Anodyne CC(=O)OCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 ZINC000028338489 IH Annotated Anodyne NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)s1 ZINC000028347304 IH Annotated Reactive NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Br)cs1 ZINC000028347311 IH Annotated Reactive Cc1ccccc1N1CCN(c2ccc(N3C[C@H](CN(C)C=S)OC3=O)cc2F)CC1 ZINC000028360142 IH Annotated Anodyne CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4cccc(F)c4)CC3)c(F)c2)C(=O)O1 ZINC000028364146 IH Annotated Anodyne O=C(O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)NS(=O)(=O)c1ccccc1 ZINC000028371270 IH Annotated Anodyne CS(=O)(=O)Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccccc1Cl ZINC000028378075 IH Annotated Anodyne COc1cc([C@@H](O)[C@@H]2C(=O)OC[C@@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC ZINC000028381193 IH Annotated Anodyne COc1cc([C@H](O)[C@@H]2C(=O)OC[C@@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC ZINC000028381202 IH Annotated Anodyne COc1cc([C@@H](O)[C@@H]2C(=O)OC[C@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC ZINC000028381209 IH Annotated Anodyne COc1cc([C@H](O)[C@@H]2C(=O)OC[C@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC ZINC000028381217 IH Annotated Anodyne COC(=S)NC[C@H]1CN(c2ccc(Sc3ccc(NC(C)=O)cc3)c(F)c2)C(=O)O1 ZINC000028382794 IH Annotated Anodyne CCN(CC)CCn1c(=O)c2c3cc4c(cc3ncc2c2cc(OC)c(OC)cc21)OCO4 ZINC000028396163 IH Annotated Bother COc1c(N2C[C@@H](C)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028458129 IH Annotated Anodyne COc1c(N2C[C@@H](C)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028458406 IH Annotated Anodyne Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 ZINC000028459812 IH Annotated Anodyne Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 ZINC000028462333 IH Annotated Anodyne C[C@H]1CCc2c(N3CCC(OC(=O)C(C)(C)C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000028468772 IH Annotated Anodyne Cc1cc2c(/N=N/C(=N)S)c(O)n(CN3CCN(C)CC3)c2cc1Br ZINC000028474591 IH Annotated Clean COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(I)cc1)C2=O ZINC000028520466 IH Annotated Mild O=C1C(Nc2ccc(I)cc2)=C(Cl)C(=O)c2sc(CO)cc21 ZINC000028520733 IH Annotated Mild COc1cc2c(=O)n(CCN(C)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028520739 IH Annotated Bother COc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCO)[nH]c2c(OC)c1OC ZINC000028521016 IH Annotated Anodyne COc1cc2c(=O)n(CCNC(C)(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028521650 IH Annotated Bother COC(=O)[C@@H]1C[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O ZINC000028522044 IH Annotated Anodyne COC(=O)[C@H]1C[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O ZINC000028522047 IH Annotated Anodyne COC(=O)[C@@H]1C[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O ZINC000028522050 IH Annotated Anodyne COC(=O)[C@H]1C[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O ZINC000028522053 IH Annotated Anodyne O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)COC1 ZINC000028522366 IH Annotated Anodyne N=C(N)COc1ccc(Cl)cc1-c1c(CCO)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028523684 IH Annotated Anodyne N=C(N)Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21 ZINC000028523685 IH Annotated Anodyne Cc1ccc([C@@H]2CN(C(=O)c3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)CCO2)cc1C ZINC000028524342 IH Annotated Anodyne Cc1ccc([C@H]2CN(C(=O)c3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)CCO2)cc1C ZINC000028524343 IH Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)CCC2 ZINC000028524347 IH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)cc1C ZINC000028524842 IH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)cc1C ZINC000028524843 IH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)cc1C ZINC000028524844 IH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)cc1C ZINC000028524845 IH Annotated Anodyne Cc1ccc(OCCCNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028525280 IH Annotated Anodyne Cc1ccc(C(=O)CN(C)C(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028525518 IH Annotated Anodyne CN(C)CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21 ZINC000028525943 IH Annotated Anodyne FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cnnn3)nc12)c1ccccn1 ZINC000028527529 IH Annotated Anodyne COC(=O)CN1C(=O)C2(CCN(c3ccc4c5c(cccc35)CC4)CC2)c2ccccc21 ZINC000028528367 IH Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(/N=C(\O)OC(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028528443 IH Annotated Mild COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N(C)c3ccccc3)C1)N2 ZINC000028529674 IH Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)N(C)c3ccccc3)C1)N2 ZINC000028529676 IH Annotated Anodyne COc1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2 ZINC000028564565 IH Annotated Anodyne COc1ccc2c(c1)CNc1c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc1O2 ZINC000028564754 IH Annotated Anodyne CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)c1ccc2c(C#N)cc(C(=O)O)n2c1 ZINC000028564798 IH Annotated Mild CC(C)C[C@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)c1ccc2c(C#N)cc(C(=O)O)n2c1 ZINC000028564800 IH Annotated Mild CC(C)C[C@@H](C(=O)N[C@H](CC(=O)O)c1ccccc1)c1ccc2c(C#N)cc(C(=O)O)n2c1 ZINC000028564802 IH Annotated Mild CC(C)C[C@H](C(=O)N[C@H](CC(=O)O)c1ccccc1)c1ccc2c(C#N)cc(C(=O)O)n2c1 ZINC000028564803 IH Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccccn2)sc2c1CCC(C)(C)C2 ZINC000028565486 IH Annotated Mild C[C@@H]1CCCC[C@@H]1Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565738 IH Annotated Mild C[C@H]1CCCC[C@@H]1Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565740 IH Annotated Mild C[C@@H]1CCCC[C@H]1Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565742 IH Annotated Mild C[C@H]1CCCC[C@H]1Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565744 IH Annotated Mild COc1ccc(C#CCN(C)C)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028566340 IH Annotated Mild COC(=O)c1ccc(Sc2nc(N)c(C#N)c(-c3ccc(C(=O)OC)cc3)c2C#N)cc1 ZINC000028566468 IH Annotated Mild COC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(NC(C)=O)cc3)c2C#N)cc1 ZINC000028567235 IH Annotated Mild COc1ccc(C(=O)c2ccc3c(-c4ccc(OC(C(=O)O)C(=O)O)cc4)nocc2-3)cc1 ZINC000028567697 IH Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(C(=O)O)cc3)c2C#N)cc1 ZINC000028567707 IH Annotated Mild O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2ncoc2c1 ZINC000028568668 IH Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2ncoc2c1 ZINC000028568669 IH Annotated Anodyne Cc1ncc([C@@H](CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)s1 ZINC000028568670 IH Annotated Anodyne Cc1ncc([C@H](CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)s1 ZINC000028568671 IH Annotated Anodyne COC(=O)c1ccc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1 ZINC000028568827 IH Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCC2 ZINC000028568850 IH Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCC2 ZINC000028568851 IH Annotated Anodyne Cc1ccnc(NCCCCc2noc(C[C@@H](CC(=O)O)c3ccc4c(c3)OCO4)n2)c1 ZINC000028568854 IH Annotated Anodyne CC(=O)Oc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1OC(C)=O ZINC000028569686 IH Annotated Reactive CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2SCc2ccccc2)nc1 ZINC000028569872 IH Annotated Mild C[C@@H]1CCCC[C@@H]1Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569980 IH Annotated Mild C[C@H]1CCCC[C@@H]1Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569981 IH Annotated Mild C[C@@H]1CCCC[C@H]1Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569982 IH Annotated Mild C[C@H]1CCCC[C@H]1Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569983 IH Annotated Mild C=C1CCC(COc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)CC1 ZINC000028570239 IH Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OC2CCCCCC2)nc1 ZINC000028570461 IH Annotated Mild COc1cc(C#N)ccc1OCCCc1c(O)nc(Nc2ccc3c(c2)CCC3)[nH]c1=O ZINC000028570697 IH Annotated Mild Cc1cccc(Oc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)c1C ZINC000028570752 IH Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2SC2CCCCC2)nc1 ZINC000028570753 IH Annotated Mild Nc1ccccc1C(=O)NC(=O)Nc1ccc(Sc2ncc(Br)cn2)cc1 ZINC000028571543 IH Annotated Anodyne CC(C)(C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccc(F)cc1 ZINC000028572759 IH Annotated Anodyne CC(C)(C)CCN1C(=O)[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)[C@@H]1C1CCCCC1 ZINC000028572771 IH Annotated Anodyne COc1cc(CN2c3ccccc3S(=O)(=O)N(C)c3cccnc32)cc(OC)c1OC ZINC000028637404 IH Annotated Anodyne COc1ccc(CCN2c3cc(OC)ccc3N(C)S(=O)(=O)c3cccnc32)cc1 ZINC000028637641 IH Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(Cl)ccc2S(=O)(=O)N3C)cc1 ZINC000028637910 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000028638059 IH Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2ccc(Cl)cc2S(=O)(=O)N3C)cc1 ZINC000028638101 IH Annotated Anodyne O=S(=O)(Oc1ccccc1)[C@H]1C[C@@H]2O[C@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 ZINC000028638796 IH Annotated Anodyne COc1ccc(CCCN2C=CC=C3C2=Nc2cc(OC)ccc2S(=O)(=O)N3C)cc1 ZINC000028638842 IH Annotated Anodyne O=[N+]([O-])c1ccc(CO)c([S@@](=O)c2nc(-c3cnc4ccc(Cl)cn34)cs2)c1 ZINC000028640419 IH Annotated Bother O=[N+]([O-])c1ccc(CO)c([S@](=O)c2nc(-c3cnc4ccc(Cl)cn34)cs2)c1 ZINC000028640422 IH Annotated Bother COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H](C(=O)N1[C@H]2C)N3C ZINC000028641253 IH Annotated Anodyne COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@H](C#N)N1[C@H]2C)N3C ZINC000028641616 IH Annotated Mild Cc1ccccc1CSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647665 IH Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000028648978 IH Annotated Anodyne CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3F)CC1=O)C2 ZINC000028649132 IH Annotated Anodyne Cc1ccc(NC(=S)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(F)cc32)cc1 ZINC000028651513 IH Annotated Mild O=C1/C(=N\NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2N1CN1CCCCC1 ZINC000028651520 IH Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccc(C(F)(F)F)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656155 IH Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656232 IH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CCN(Cc3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028703188 IH Annotated Anodyne COc1ccc2nccc(-n3ncc4c3CCN(Cc3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028703190 IH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028703192 IH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028703194 IH Annotated Anodyne COc1ccc2nccc(-n3ncc4c3CC[C@H](NCc3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028703196 IH Annotated Anodyne COc1ccc2nccc(-n3ncc4c3CC[C@@H](NCc3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028703198 IH Annotated Anodyne O=C(N/N=C/CCCCCCCc1c([N+](=O)[O-])ccc(O)c1C(=O)O)c1ccncc1 ZINC000028707241 IH Annotated Reactive O=C1CCCN1Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000028707379 IH Annotated Clean N#Cc1c(O)nsc1Nc1cccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000028707474 IH Annotated Mild Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1 ZINC000028710369 IH Annotated Anodyne CC(=O)Nc1ccc(C2=NN[C@@](C)(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)cc1 ZINC000028710381 IH Annotated Bother CC(=O)Nc1ccc(C2=NN[C@](C)(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)cc1 ZINC000028710382 IH Annotated Bother O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ncc(C(F)F)cn2)CC1 ZINC000028711639 IH Annotated Anodyne COc1cccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)c1 ZINC000028711813 IH Annotated Anodyne O=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2c(Br)cc(Br)cc21 ZINC000028711814 IH Annotated Bother CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Cc4ccc(Cl)cc4)cc(c23)C1=O ZINC000028712235 IH Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc(C#N)cc4)cc(c23)C1=O ZINC000028712247 IH Annotated Mild CN(C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(C#N)cc4)cc(c23)C1=O ZINC000028712281 IH Annotated Mild Cc1occc(=O)c1OCCCCCOc1c(C)n(-c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000028712738 IH Annotated Bother CCN(CC)CCNCCn1nc2c3c(cc(C)cc31)C(=O)c1cc(OC)cc(OC)c1-2 ZINC000028712752 IH Annotated Anodyne COc1ccc2[nH]cc(Cc3nn4c(Cc5ccc(OC)c(OC)c5)nnc4s3)c2c1 ZINC000028712883 IH Annotated Anodyne CCN1C(=O)c2c(nc(Cc3ccccc3)n2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028756472 IH Annotated Anodyne CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028757322 IH Annotated Mild CN(C)CCNc1ccc2c3c(nn2Cc2ccccc2)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028758512 IH Annotated Clean N=C(N)SCCOc1oc(=O)c2cc(NC(=O)NCc3ccccc3)ccc2c1Cl ZINC000028758784 IH Annotated Anodyne N=C(N)SCCOc1oc(=O)c2cc(NC(=O)Cc3ccccc3)ccc2c1Cl ZINC000028759118 IH Annotated Anodyne COc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc(N)n2)cc1 ZINC000028762076 IH Annotated Bother CS(=O)(=O)/N=C(\O)CCC/C=C\CC1=C(/C=C/[C@@H](O)COc2ccccc2)CCC1=O ZINC000028766529 IH Annotated Mild CC(C)=CC[C@@H](OC(=O)COCc1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028770176 IH Annotated Mild CC(C)=CC[C@H](OC(=O)COCc1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028770178 IH Annotated Mild O=C1[C@@H]2[C@H](C(=O)N1CCCCC1CCN(c3cncc(Cl)n3)CC1)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000028771297 IH Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@H]31 ZINC000028771299 IH Annotated Anodyne COC(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815942 IH Annotated Mild COC(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815944 IH Annotated Mild Cn1cncc1CN1C[C@@H](N(Cc2ccccc2F)C(=O)C2CC2)Cc2cc(C#N)ccc21 ZINC000028815957 IH Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2F)C(=O)C2CC2)Cc2cc(C#N)ccc21 ZINC000028815959 IH Annotated Mild CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(Br)cc3)=NC2=O)o1 ZINC000028816623 IH Annotated Clean CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(Br)cc3)=NC2=O)o1 ZINC000028816625 IH Annotated Clean CCc1ccc(/C=C2\SC(N[C@@H](C(=O)NO)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028816668 IH Annotated Clean CCc1ccc(/C=C2\SC(N[C@H](C(=O)NO)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028816670 IH Annotated Clean COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)/C=C/c3ccccc3)C4)c2n1 ZINC000028817519 IH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)/C=C/c3ccccc3)C4)c2n1 ZINC000028817521 IH Annotated Anodyne COC(=O)c1cn(-c2ccc(I)cc2)c2c1C(=O)C(C)=C(C)C2=O ZINC000028817963 IH Annotated Mild C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCC2=CC(C(N)=O)=CC[C@H]21 ZINC000028821527 IH Annotated Anodyne C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCC2=CC(C(N)=O)=CC[C@H]21 ZINC000028821528 IH Annotated Anodyne N#CCCCn1c(Cn2c(=O)n(Cc3ccc(C#N)cc3)c3ccncc32)nc2ccccc21 ZINC000028821621 IH Annotated Mild COC(=O)c1cnccc1-c1nc(-c2cc(Br)ccc2F)nc2nccnc12 ZINC000028822266 IH Annotated Anodyne CNc1ccc(C#Cc2cnc(OCCOCCOCCF)c(Br)c2)cc1 ZINC000028822529 IH Annotated Mild CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN)C1CCCCC1 ZINC000028822782 IH Annotated Anodyne CN(C(=O)c1ccc2nc(NC(=O)c3cccs3)n(CCCN)c2c1)C1CCCCC1 ZINC000028822789 IH Annotated Anodyne NCCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)OC3CCCCC3)ccc21 ZINC000028822799 IH Annotated Anodyne NCCCn1c(NC(=O)c2cccs2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000028822800 IH Annotated Anodyne CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN ZINC000028822801 IH Annotated Anodyne C[C@@H](CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822824 IH Annotated Anodyne C[C@H](CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822825 IH Annotated Anodyne C[C@@H](CNC(=O)c1ccc2c(Cl)c[nH]c2c1)NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000028822827 IH Annotated Anodyne C[C@H](CNC(=O)c1ccc2c(Cl)c[nH]c2c1)NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000028822828 IH Annotated Anodyne O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000028822845 IH Annotated Anodyne CNCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCC(C)C ZINC000028824461 IH Annotated Anodyne CC1(C)C(=O)N(Cc2nc3ccccc3n2CCCCF)c2ccccc2S1(=O)=O ZINC000028824549 IH Annotated Anodyne N#CCCCn1c(CN2C(=O)N(C3CC3)S(=O)(=O)c3ccccc32)nc2ccccc21 ZINC000028824560 IH Annotated Mild CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccc(N(C)C)cc4)nc23)C1=O ZINC000028825851 IH Annotated Clean COc1ccc(-c2nc3c(cc4c5c(cccc53)C(=O)N(CCN(C)C)C4=O)[nH]2)cc1OC ZINC000028825873 IH Annotated Anodyne Cc1cc(NC(=O)CCl)sc1-c1nnc2n1Nc1nc3ccccc3nc1S2 ZINC000028826937 IH Annotated Reactive CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)O)s1 ZINC000028827361 IH Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)O)s1 ZINC000028827362 IH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NCC)s1 ZINC000028827372 IH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NCC)s1 ZINC000028827373 IH Annotated Anodyne CCCN[C@@H](C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1 ZINC000028827376 IH Annotated Anodyne CCCN[C@H](C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1 ZINC000028827377 IH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)N(C)C)s1 ZINC000028827400 IH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)N(C)C)s1 ZINC000028827401 IH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(O)(CC)CC)s1 ZINC000028827417 IH Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(SCC#Cc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028863008 IH Annotated Mild CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O ZINC000028869586 IH Annotated Clean CCCN(C(=O)CC(=O)O)C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O ZINC000028869590 IH Annotated Clean COC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878812 IH Annotated Anodyne C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)O ZINC000028878916 IH Annotated Anodyne O=C1Nc2ccc(I)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884009 IH Annotated Anodyne O=C1Nc2c(I)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884178 IH Annotated Anodyne CC(C)c1nc(-c2sc(Br)c(Br)c2OCC(=O)O)no1 ZINC000028886993 IH Annotated Anodyne COC(=O)c1ccc(Sc2nc(N)c(C#N)c(-c3ccc4c(c3)OCCO4)c2C#N)cc1 ZINC000028887156 IH Annotated Mild CCc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccc(C(F)(F)F)cc3)NC2=O)o1 ZINC000028888630 IH Annotated Mild C#CCCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000028888943 IH Annotated Mild CCC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897078 IH Annotated Anodyne O=C(O)COCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 ZINC000028901032 IH Annotated Anodyne CN1C(=O)N=C(Nc2nc(-c3ccc(Cl)cc3)c(Cc3ccc(O)cc3)s2)C1=O ZINC000028902210 IH Annotated Anodyne COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CN(C(C)C)CC4)cc1 ZINC000028948956 IH Annotated Mild CN(C)c1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000028951781 IH Annotated Anodyne C=C(C)n1c(=O)n(Cc2nc3cc(/C(N)=N\O)ccc3n2CCC(C)C)c2ccccc21 ZINC000028952226 IH Annotated Mild CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(/C(N)=N\O)ccc21 ZINC000028952228 IH Annotated Mild CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCOCC1)c1ccccc1 ZINC000028953421 IH Annotated Anodyne CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCCN1CCOCC1)c1ccccc1 ZINC000028953423 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1OC ZINC000028953661 IH Annotated Mild COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1OC ZINC000028953663 IH Annotated Mild CCCCN(C)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CN(C2CCCC2)C1 ZINC000028955307 IH Annotated Anodyne CCCCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1 ZINC000028955372 IH Annotated Anodyne CCOc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028957553 IH Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000028957559 IH Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000028957567 IH Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957663 IH Annotated Anodyne COc1ccc([C@@H](C)N([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028957750 IH Annotated Anodyne COc1ccc([C@H](C)N([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028957753 IH Annotated Anodyne CN(CCOc1ccc(-c2ccc3c(c2)OCO3)cc1C(=O)c1cccs1)CC(=O)O ZINC000028958308 IH Annotated Anodyne N#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1 ZINC000028969359 IH Annotated Mild C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000028972230 IH Annotated Anodyne C[C@H](CCCC(C)(C)O)[C@H]1CC[C@]2(O)C3=CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000028972235 IH Annotated Anodyne C[C@H](CCC(C)(C)O)[C@H]1CCC(=O)[C@]23CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@H]2CC[C@]13C ZINC000028972249 IH Annotated Mild N=C(NC1CCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCC4)cc3)CC2)cc1 ZINC000028972423 IH Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@@H](O)C(C)(C)Cl)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972488 IH Annotated Mild C=CC(C)(C)c1[nH]c2ccc(C[C@@H](Cl)C(C)(C)O)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972492 IH Annotated Reactive C=CC(C)(C)c1[nH]c2c(C[C@@H](O)C(C)(C)Cl)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972510 IH Annotated Mild C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@H](O[C@H](C)CC)C(=O)/C=C(\C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000028973260 IH Annotated Mild C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@H](O[C@@H](C)CC)C(=O)/C=C(\C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000028973265 IH Annotated Mild C[C@H](CCCNC=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977932 IH Annotated Anodyne O=C1OC(=C(Br)Br)C=C1C(Br)Br ZINC000029038914 IH Annotated Reactive O=S(=O)(c1c(-c2nc3ncccc3[nH]2)[nH]c2ccc(Br)cc12)N1CCCC1 ZINC000029039032 IH Annotated Anodyne CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000029040360 IH Annotated Bother CN(Cc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000029040362 IH Annotated Bother CN(C)S(=O)(=O)/N=C(\O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12 ZINC000029041437 IH Annotated Mild Cc1cc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc(C)n1 ZINC000029041710 IH Annotated Anodyne COC(=O)CCN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)OC)c3)s2)C1=O ZINC000029044127 IH Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCCC(=O)O)C1 ZINC000029044423 IH Annotated Anodyne OCc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047113 IH Annotated Anodyne OCc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047116 IH Annotated Anodyne O=[S@@](Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 ZINC000029050605 IH Annotated Anodyne O=[S@](Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 ZINC000029050610 IH Annotated Anodyne COc1cc(CNC2=CC(=O)c3ccc(-c4ccccc4)nc3C2=O)cc(OC)c1OC ZINC000029054293 IH Annotated Mild COc1cc(CNC2=CC(=O)c3nc(-c4ccccc4)ccc3C2=O)cc(OC)c1OC ZINC000029054452 IH Annotated Mild CCOC(=O)CCCn1c(=O)c2c3ccccc3n(C)c2n2nnc(-c3ccccc3)c12 ZINC000029054928 IH Annotated Bother CCN(CC)CC(=O)Nc1cc2[nH]c(CN(CC)CC)nc2c2c(=O)c3ccccc3oc12 ZINC000029056731 IH Annotated Bother COc1ccc(CCN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1 ZINC000029058085 IH Annotated Anodyne CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(F)nn1-c1ncccc1Cl ZINC000029058783 IH Annotated Anodyne O=C1c2sccc2N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000029123915 IH Annotated Bother CO/N=C(\N)c1ccc(-c2cn3cc(-c4ccc(/C(N)=N\OC)cc4)nc3c(C)c2C)cc1 ZINC000029124153 IH Annotated Mild CO/N=C(\N)c1ccc(-c2cn3cc(-c4ccc(/C(N)=N\OC)cc4)nc3cc2C)cc1 ZINC000029124215 IH Annotated Mild CO/N=C(\N)c1ccc(-c2cc(C)c3nc(-c4ccc(/C(N)=N\OC)cc4)cn3c2)cc1 ZINC000029124277 IH Annotated Mild CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc([N+](=O)[O-])cc3OC)n2C)cc1 ZINC000029124760 IH Annotated Bother O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125458 IH Annotated Anodyne C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 ZINC000029126085 IH Annotated Anodyne C[C@@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 ZINC000029126086 IH Annotated Anodyne COc1ccccc1C#Cc1ccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)o1 ZINC000029126462 IH Annotated Mild NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC1)CO2 ZINC000029126501 IH Annotated Mild C/N=C(/N)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2 ZINC000029126578 IH Annotated Mild N=C(N)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2 ZINC000029126580 IH Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@H]12 ZINC000029127541 IH Annotated Bother C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@@H]12 ZINC000029127542 IH Annotated Bother CCOC(=O)[C@@]12CC[C@@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029129033 IH Annotated Anodyne CCOC(=O)[C@]12CC[C@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029129034 IH Annotated Anodyne Cc1cc(CC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@@H]2c2ccccc2)on1 ZINC000029129101 IH Annotated Mild Cc1cc(CC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@H]2c2ccccc2)on1 ZINC000029129102 IH Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000029129103 IH Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2ccncc2)[C@H](c2ccccc2)C1 ZINC000029129104 IH Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2cccnc2)[C@@H](c2ccccc2)C1 ZINC000029129105 IH Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2cccnc2)[C@H](c2ccccc2)C1 ZINC000029129106 IH Annotated Mild COc1cc(-n2c(-c3ccc(Br)cc3)cn(C(C)=O)c2=O)cc(OC)c1OC ZINC000029130367 IH Annotated Anodyne Cc1nc(-c2ccc(F)cc2F)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1 ZINC000029130654 IH Annotated Clean Cc1c(Br)c(=O)oc2c(Br)c(O)c(Br)c(O)c12 ZINC000029132218 IH Annotated Anodyne O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCNS(=O)(=O)c1cccs1 ZINC000029217962 IH Annotated Anodyne O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCNS(=O)(=O)c1cccs1 ZINC000029217966 IH Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4cc(C(F)(F)F)ccc4s3)[C@H](C)[C@H]12 ZINC000029221326 IH Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1ccc2ccccc2[n+]1CC ZINC000029222865 IH Annotated Anodyne CCCC[C@@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029237716 IH Annotated Anodyne CCCC[C@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029237724 IH Annotated Anodyne CC[C@@H](OC(C)=O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029247141 IH Annotated Anodyne CC[C@H](OC(C)=O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029247149 IH Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)COC[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000029306657 IH Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)COC[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000029306662 IH Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(OC)cc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000029308473 IH Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(OC)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000029308478 IH Annotated Anodyne C[C@H]1C[C@@H](CC(=O)Nc2ccccc2)n2c(=O)c(=O)[nH]c3cc(Br)cc1c32 ZINC000029311562 IH Annotated Anodyne CCN(CC)CCn1nc2c3ccccc3sc3c(NCCNCCO)ccc1c32 ZINC000029311859 IH Annotated Bother COc1cc(O)c2c(c1C)C(=O)OCCC/C(S)=N/[C@H](c1nc(C)no1)CSC2 ZINC000029319660 IH Annotated Anodyne COc1cc(/C=C/C(=O)c2ccc3c(c2)OC(O)(O)O3)cc(-c2cccs2)c1OC ZINC000029320866 IH Annotated Mild C[C@@H]1C[C@@H](CC(=O)Nc2ccccc2)n2c(=O)c(=O)[nH]c3cc(Br)cc1c32 ZINC000029322084 IH Annotated Anodyne Cn1ccc(=Nc2ccc(Cc3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000029322529 IH Annotated Anodyne CCN(CC)CCNc1ccc2c3c1sc1ccccc1c3nn2CCNCCO ZINC000029335496 IH Annotated Bother CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CNC(C)=O)c2)c(Cl)c1Cl ZINC000029337493 IH Annotated Clean COc1cc(C(Br)Br)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000029338633 IH Annotated Reactive CCCN(CCC)C(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 ZINC000029341067 IH Annotated Anodyne CCCN(CCC)C(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 ZINC000029341070 IH Annotated Anodyne CCCN(CCC)C(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 ZINC000029341073 IH Annotated Anodyne CCCN(CCC)C(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 ZINC000029341076 IH Annotated Anodyne CN(C)CCNc1ccc2c3c(c4cccc(Cl)c4cc13)C(=O)N(CCN(C)C)C2=O ZINC000029343736 IH Annotated Bother CCOC(=O)COc1ccc(C(=O)c2cc(Cl)c(O)c(CN)c2)c(Cl)c1Cl ZINC000029346585 IH Annotated Clean CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN(C)C)c2)c(Cl)c1Cl ZINC000029348168 IH Annotated Clean CN(C)CCN1C(=O)c2ccc(I)c3cc4ccccc4c(c23)C1=O ZINC000029390477 IH Annotated Bother COc1ccc2c(c1)c1oc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c1n2-c1ccccc1 ZINC000029393597 IH Annotated Anodyne CCc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)/C(=C/C(=O)O)CCCC2 ZINC000029393994 IH Annotated Anodyne CC1=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)cccc2C1=O ZINC000029395355 IH Annotated Mild NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)c(-c3ccccc3)nc21 ZINC000029404055 IH Annotated Anodyne CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(NCCN(C)C)ccc(Cl)c1C2=O ZINC000029406093 IH Annotated Clean CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(Cl)ccc(NCCN(C)C)c1C2=O ZINC000029406099 IH Annotated Clean COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C[C@@H]3CCCN3C2=O)cc1O ZINC000029407894 IH Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C[C@H]3CCCN3C2=O)cc1O ZINC000029407896 IH Annotated Anodyne CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O ZINC000029410873 IH Annotated Clean CCO/C(O)=C1\C(COCCNC)=NC(C)=C(C(=O)OC)[C@@H]1c1c(F)cccc1Cl ZINC000029461867 IH Annotated Anodyne CCO/C(O)=C1\C(COCCNC)=NC(C)=C(C(=O)OC)[C@H]1c1c(F)cccc1Cl ZINC000029461870 IH Annotated Anodyne CNC(=O)c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc2c1 ZINC000029468759 IH Annotated Clean C[C@@H](Oc1ccc(Oc2cnc3ccc(I)cc3n2)cc1)C(=O)O ZINC000029478684 IH Annotated Anodyne C[C@H](Oc1ccc(Oc2cnc3ccc(I)cc3n2)cc1)C(=O)O ZINC000029478688 IH Annotated Anodyne CC1(C)CC[C@@H](COc2ccc(OC(F)(F)F)cc2)[C@H](Cn2cncn2)[C@@H]1OCCO ZINC000029486231 IH Annotated Anodyne CC1(C)CC[C@@H](COc2ccc(OC(F)(F)F)cc2)[C@H](Cn2cncn2)[C@H]1OCCO ZINC000029486234 IH Annotated Anodyne C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 ZINC000029486607 IH Annotated Clean C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 ZINC000029486610 IH Annotated Clean C[C@H](OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1)[C@@H](C)O ZINC000029486613 IH Annotated Clean C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 ZINC000029486616 IH Annotated Clean CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1 ZINC000029488235 IH Annotated Bother CCC(=O)Oc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029544159 IH Annotated Anodyne CCCC(=O)Oc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029544378 IH Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3ccc(C#N)cc3)[C@@H](CCCCN)C(N)=O)no2)cc1 ZINC000029550685 IH Annotated Mild Cc1ccc(-c2cc(CN(Cc3ccc(C#N)cc3)[C@H](CCCCN)C(N)=O)no2)cc1 ZINC000029550689 IH Annotated Mild COC(=O)CCC1=C(n2ccc3ccccc32)c2ccc(CCC(=O)OC)cc2C(=O)C1=O ZINC000029566065 IH Annotated Mild C[C@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCNC1 ZINC000029569271 IH Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCNC1 ZINC000029569273 IH Annotated Anodyne C[C@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCNC1 ZINC000029569276 IH Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCNC1 ZINC000029569279 IH Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccccc3F)CC1)C(C)(C)C2 ZINC000029569938 IH Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccccc3F)CC1)C(C)(C)C2 ZINC000029569941 IH Annotated Clean C/C(=C\[C@H](O)[C@H](O)[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)/C(C(=O)O)=C/C[C@H]12)C(=O)O ZINC000029570285 IH Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3cc(N4CCCC4)c(Br)cn3)nc2c1 ZINC000029570838 IH Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3cc(N4CCCC4)c(Br)cn3)nc2c1 ZINC000029570841 IH Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000299806692 IH Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000299806693 IH Annotated Anodyne CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@@H](C(N)=O)C[C@]2(CC(C)C)C(=O)O)cc1 ZINC000299807588 IH Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000299810313 IH Annotated Reactive CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000299810314 IH Annotated Reactive CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 ZINC000299810761 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000299811069 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000299811070 IH Annotated Anodyne CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC3=C[C@@H]4C[C@@H]5C=CC=C[C@H]5[C@H]4C=C3)CS2)cc1 ZINC000299811112 IH Annotated Anodyne CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC3=C[C@@H]4C[C@@H]5C=CC=C[C@H]5[C@@H]4C=C3)CS2)cc1 ZINC000299811113 IH Annotated Anodyne CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC3=C[C@@H]4C[C@@H]5C=CC=C[C@@H]5[C@H]4C=C3)CS2)cc1 ZINC000299811114 IH Annotated Anodyne COc1cc(Cc2cnc(=N)n([C@@H](C)c3ccc(F)cc3)c2O)ccc1-n1cnc(C)c1 ZINC000299812038 IH Annotated Anodyne CC(=O)c1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccc(Br)cc3)O[C@H]2CO)cc1 ZINC000299812512 IH Annotated Mild CC(=O)c1ccc(O[C@@H]2C=C[C@H](C#Cc3ccc(Br)cc3)O[C@H]2CO)cc1 ZINC000299812513 IH Annotated Mild O=C(CNC(=O)c1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299812978 IH Annotated Clean C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@H]1c1cccc(Br)c1 ZINC000299813818 IH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@H]1c1cccc(Br)c1 ZINC000299813819 IH Annotated Anodyne Cc1ccc2cccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000299814120 IH Annotated Anodyne COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23Cc2ccccc2C3=O)cc1 ZINC000299815214 IH Annotated Clean COc1ccc([C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23Cc2ccccc2C3=O)cc1 ZINC000299815215 IH Annotated Clean COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000299818981 IH Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000299818987 IH Annotated Anodyne COc1c2c(cc3c1c(=O)c1cc4ccccc4nc1n3C)OC(C)(C)[C@H]1OC(=O)O[C@@H]21 ZINC000299819102 IH Annotated Bother O=c1[nH]c2c3ncccc3c(NCc3cccc([N+](=O)[O-])c3)nc2n1Cc1ccc(O)cc1 ZINC000299819367 IH Annotated Bother C[S@@](=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1 ZINC000299819648 IH Annotated Anodyne C[S@](=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1 ZINC000299819649 IH Annotated Anodyne O=S(=O)(Nc1ccnn1-c1ncc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 ZINC000299820763 IH Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2CCO)OCCO3 ZINC000299821041 IH Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2CCO)OCCO3 ZINC000299821046 IH Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C3CC(F)(F)C3)n2)c1O ZINC000299821307 IH Annotated Anodyne COCCN([C@H]1CCN(Cc2c(-c3ccccc3)[nH]c3c(C)cccc23)C1)S(C)(=O)=O ZINC000299824378 IH Annotated Anodyne COCCN([C@@H]1CCN(Cc2c(-c3ccccc3)[nH]c3c(C)cccc23)C1)S(C)(=O)=O ZINC000299824386 IH Annotated Anodyne Cc1ccc(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 ZINC000299824413 IH Annotated Anodyne Cc1ccc(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 ZINC000299824425 IH Annotated Anodyne COc1cc(Nc2nc3n(n2)C[C@H](C)C(=O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299825131 IH Annotated Anodyne COc1cc(Nc2nc3n(n2)C[C@@H](C)C(=O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299825134 IH Annotated Anodyne CCn1c(Nc2ccncc2F)nc2c([C@@H]3CCCN(C(=O)OC)C3)csc2c1=O ZINC000299825234 IH Annotated Anodyne CCn1c(Nc2ccncc2F)nc2c([C@H]3CCCN(C(=O)OC)C3)csc2c1=O ZINC000299825235 IH Annotated Anodyne COc1cc([C@@H](CC=C(C)C)OC(=O)CC(C)(C)O)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299825303 IH Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)CC(C)(C)O)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299825304 IH Annotated Mild COc1ccc([C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2cnc(O)cn2)cc1 ZINC000299825810 IH Annotated Anodyne O=C(Cn1cc(CCCOc2cccc3cccnc23)nn1)OCc1ccc(F)c(F)c1 ZINC000299825984 IH Annotated Anodyne COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CO)c1c2c(cc(OC)c1-3)OCO2 ZINC000299826006 IH Annotated Clean COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@H](CO)c1c2c(cc(OC)c1-3)OCO2 ZINC000299826008 IH Annotated Clean CCC(=O)Nc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000299826105 IH Annotated Anodyne COc1ccc([C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2cnc(O)cn2)cc1 ZINC000299826433 IH Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(Br)c1)c1cc3c(cc1N2CCO)CCC3 ZINC000299826973 IH Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc(Br)c1)c1cc3c(cc1N2CCO)CCC3 ZINC000299826981 IH Annotated Anodyne O=C1Nc2nc3ccccc3n2Cc2cc(ccc2O)-c2ccc(=O)n(n2)Cc2cccc1c2 ZINC000299827328 IH Annotated Clean COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccc(CO)cc3)nn2)c1CC=C(C)C ZINC000299828565 IH Annotated Anodyne O=C(Nc1cnc2[nH]c(CNC[C@H]3CCCO3)cc2c1)c1ccccc1Br ZINC000299828970 IH Annotated Anodyne COC(=O)Nc1nc2cc(S(=O)(=O)c3c[nH]c4ccc(Br)cc34)ccc2[nH]1 ZINC000299829267 IH Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccccc4F)[C@H](CC[C@@H]21)[C@H]3O ZINC000299830074 IH Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccccc4F)[C@H](CC[C@@H]21)[C@H]3O ZINC000299830075 IH Annotated Anodyne Cc1ccccc1NC[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000299830162 IH Annotated Anodyne Cc1ccccc1NC[C@@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000299830165 IH Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(Cl)ccc5[nH]4)CC3)c2c1 ZINC000299831608 IH Annotated Anodyne CCn1c(NC2CCCC2)nc2c(-c3ccc(N4CCOCC4)nc3)csc2c1=O ZINC000299832563 IH Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccc(F)cc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832777 IH Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccc(F)cc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832779 IH Annotated Anodyne COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-n1cnc(C)c1 ZINC000299832922 IH Annotated Anodyne COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-c1noc(C)n1 ZINC000299833005 IH Annotated Anodyne Cc1cccc(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)c1 ZINC000299833822 IH Annotated Anodyne Cc1cccc(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)c1 ZINC000299833832 IH Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(Br)cc1 ZINC000299833872 IH Annotated Anodyne COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2C)ccc1-c1ccnnc1 ZINC000299835562 IH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1O ZINC000299836092 IH Annotated Bother COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1O ZINC000299836093 IH Annotated Bother CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCCO3)cc1 ZINC000299836116 IH Annotated Anodyne CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000299836117 IH Annotated Anodyne O=C1C=CC(=O)C(Nc2cccc(C(=O)NCc3ccc(Oc4ccccc4)cc3)n2)=C1 ZINC000299836701 IH Annotated Mild CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000299836704 IH Annotated Anodyne CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000299836705 IH Annotated Anodyne COc1cc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc(OC)c1OC ZINC000299837310 IH Annotated Anodyne COc1cc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc(OC)c1OC ZINC000299837533 IH Annotated Anodyne CC(C)(C)Cc1nc2cc(S(=O)(=O)CC3CCN(C(N)=O)CC3)ccc2n1CC1CC1 ZINC000299837738 IH Annotated Anodyne COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(OC)c(OC)c1)[C@@H]23 ZINC000299837840 IH Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cnc(N6CCOCC6)nc5)cc4)[nH]c3c2)=N1 ZINC000299838495 IH Annotated Anodyne C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cnc(N6CCOCC6)nc5)cc4)[nH]c3c2)=N1 ZINC000299838496 IH Annotated Anodyne CC(C)CCn1c(=O)c2c3c(cnc2n(CCC(C)C)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299838889 IH Annotated Mild c1cc2cc(-c3ccc(-c4cnc(N5CCOCC5)nc4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000299839091 IH Annotated Anodyne c1cc2cc(-c3ccc(-c4cn5cc(C6=NCCN6)ccc5n4)cc3)[nH]c2cc1C1=NCCN1 ZINC000299839417 IH Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(Br)c1 ZINC000299840464 IH Annotated Anodyne CCCCn1c(=O)c2c3c(cnc2n(CCCC)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299840664 IH Annotated Mild Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCCO3)cc1 ZINC000299840668 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000299840669 IH Annotated Anodyne CCN(CC)C/C=C/C(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)O[C@@H](C)C(C)C ZINC000299841413 IH Annotated Anodyne COc1cc(/C=C/c2cc(N3CCN(C)CC3)c3ccccc3[n+]2C)cc(OC)c1OC ZINC000299844539 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(O)c1 ZINC000299846535 IH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(O)c1 ZINC000299846537 IH Annotated Mild CN1C[C@@H]2[C@@H]3CN(C)[C@@H]4C[C@]3(C(=O)CC3CCCCC3)[C@@H]1C[C@]24C(=O)Cc1ccccc1 ZINC000299846578 IH Annotated Anodyne CCN1C[C@H]2[C@H]3CN(C)[C@H]4C[C@@]3(C(=O)Cc3ccccc3)[C@H]1C[C@@]24C(=O)Cc1ccccc1 ZINC000299846935 IH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1[C@@](O)(C(=O)O)[C@@]1(C)C[C@@]34O[C@@H]3C[C@@H](c3ccoc3)[C@H]4C[C@@H]12 ZINC000299847982 IH Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C3=CO[C@@H]4O[C@H]34)C[C@H]3O[C@]321 ZINC000299848057 IH Annotated Mild COC(=O)[C@@H]1C(=O)/C(=C(/O)OC)[C@@H](c2ccc(C)cc2)C(C#N)(C#N)[C@H]1c1ccc(C)cc1 ZINC000299848285 IH Annotated Mild C[C@@H](CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]12)[C@H](O)c1ccccc1 ZINC000299848622 IH Annotated Anodyne O=c1n(Cc2nc3cc(C(F)(F)F)ccn3c2CCCCO)c2cnccc2n1C1CC1 ZINC000299850155 IH Annotated Anodyne CC1(C)CCc2c(sc3nc(C(=O)N4CCN(C5CCCC5)C(=O)C4)c(Cl)n23)C1 ZINC000299851660 IH Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCBr)[C@@H]2CC[C@]1(O)C3 ZINC000299851788 IH Annotated Reactive C=C1[C@@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCBr)[C@@H]2CC[C@]1(O)C3 ZINC000299851789 IH Annotated Reactive O=C(c1nc2sc(Cl)c(C3CC3)n2c1Cl)N1CCN(C2CCCC2)C(=O)C1 ZINC000299852468 IH Annotated Anodyne O=c1n(Cc2nc3ccc(C(F)(F)F)cn3c2CCCCO)c2cnccc2n1C1CC1 ZINC000299852958 IH Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)n1 ZINC000299855793 IH Annotated Anodyne COc1ccc(OC)c(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2)c1 ZINC000299855952 IH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4/C(=N/O)C(=O)/C(=N\O)C[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1 ZINC000299855979 IH Annotated Mild NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000299856027 IH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000299856028 IH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000299856029 IH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000299856030 IH Annotated Anodyne CN(C)/C=N/N=C/c1cn(S(=O)(=O)c2cccc3ccccc23)c2cccc([N+](=O)[O-])c12 ZINC000299857027 IH Annotated Mild CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(-c3noc(C)n3)cc12 ZINC000299857185 IH Annotated Anodyne O=C(NCCc1ccncc1)C1CCN(C(=O)c2cccc3c2[nH]c2ccccc23)CC1 ZINC000299857336 IH Annotated Anodyne CN(C)CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 ZINC000299857375 IH Annotated Anodyne COc1ccc(Cl)c(CC(=O)N2[C@@H](C)c3cccc(C(C)(C)O)c3C[C@@H]2CO)c1F ZINC000299858036 IH Annotated Anodyne CN(C)/C=N/N=C/c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2cccc([N+](=O)[O-])c12 ZINC000299858094 IH Annotated Mild O=C(N/N=C/c1cn(Cc2cc(-c3ccccc3)cnc2Cl)nn1)c1ccc(F)cc1 ZINC000299858284 IH Annotated Reactive CCc1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4ccsc4n3)c(=O)c2c1 ZINC000299858563 IH Annotated Mild Cc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCN(C)C)c3nc12 ZINC000299859871 IH Annotated Bother COc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)C(=O)N3CCOCC3)[nH]c2c1 ZINC000299860048 IH Annotated Anodyne CCCCCOc1c(OC)ccc2cc(C(=O)N3CCC[C@H](C(=O)OCC)C3)c(O)nc12 ZINC000299860357 IH Annotated Anodyne CCCCCOc1c(OC)ccc2cc(C(=O)N3CCC[C@@H](C(=O)OCC)C3)c(O)nc12 ZINC000299860359 IH Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)C(=O)N1CCOCC1 ZINC000299860739 IH Annotated Anodyne Cc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCN(C)C)c3nc12 ZINC000299860859 IH Annotated Bother COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccccc1 ZINC000299860934 IH Annotated Anodyne COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(=O)c1ccccc1 ZINC000299860935 IH Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(F)cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299861065 IH Annotated Mild NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000299861967 IH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000299861969 IH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@@H]3[C@H]2c2ccccc2Cl)cc1 ZINC000299861971 IH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4OC[C@H]3[C@H]2c2ccccc2Cl)cc1 ZINC000299861973 IH Annotated Anodyne COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccc(O)cc3)N2)cc1OC ZINC000299862368 IH Annotated Anodyne COc1cnc(-c2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)nc1 ZINC000299862476 IH Annotated Anodyne CCn1c(NC(C)C)nc2c([C@H]3CCN(C(=O)c4ncccc4C)C3)csc2c1=O ZINC000299862571 IH Annotated Anodyne CCn1c(NC(C)C)nc2c([C@@H]3CCN(C(=O)c4ncccc4C)C3)csc2c1=O ZINC000299862572 IH Annotated Anodyne COC(=O)CCC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000299863123 IH Annotated Mild CN1C(=O)C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c21 ZINC000299863615 IH 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(F)cc1 ZINC000299863622 IH Annotated Mild CCc1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c(=O)c2c1 ZINC000299863811 IH Annotated Mild COc1ccc(C2=Nc3nc4ccccn4c3[C@H](O)[C@H](Cc3ccccc3)N2)cc1OC ZINC000299864597 IH Annotated Anodyne COc1ccc(C2=Nc3nc4ccccn4c3[C@@H](O)[C@H](Cc3ccccc3)N2)cc1OC ZINC000299864598 IH Annotated Anodyne COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2)cc1OC ZINC000299864802 IH Annotated Anodyne CN1CCC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC000299865107 IH Annotated Anodyne O=c1c(/C=N/Nc2nc(N3CCOCC3)c3ccsc3n2)coc2ccc(Cl)cc12 ZINC000299865122 IH Annotated Mild COc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cn1 ZINC000299866210 IH Annotated Anodyne COc1ccccc1[C@H]1[C@@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299866823 IH Annotated Anodyne COc1ccccc1[C@H]1[C@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299866824 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299866825 IH Annotated Anodyne COc1ccccc1[C@@H]1[C@@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299866826 IH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(Cc2[nH]c4ccc(Cl)cc4c2Cl)C3=O)cn1 ZINC000299866853 IH Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2ccnc2)cc1Cl)C3 ZINC000299868264 IH Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2ccnc2)cc1Cl)C3 ZINC000299868265 IH Annotated Anodyne CC(C)c1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1 ZINC000299869875 IH Annotated Anodyne O=c1c(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)coc2ccc(Cl)cc12 ZINC000299869910 IH Annotated Mild CC[C@H](C)[C@@H](C(=O)O)N1Cc2c(cc(O)c(C/C=C(\C)CC/C=C(\C)C(=O)O)c2O)C1=O ZINC000299870547 IH Annotated Clean CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C/[C@H](C)C(=O)[C@@H](C)C/C=C/[C@H]3C1=O ZINC000299870915 IH Annotated Mild O=C1NCCC12CCN(c1c(-c3ccc(N4CCOCC4)cc3)cncc1C1CC1)CC2 ZINC000299870925 IH Annotated Anodyne Cc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3nc12 ZINC000299870995 IH Annotated Bother COc1cc2c(cc1OC)[C@]1(O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C(=O)N1CC2 ZINC000299871625 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C(=O)N1CC2 ZINC000299871626 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C(=O)N1CC2 ZINC000299871627 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C(=O)N1CC2 ZINC000299871628 IH Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299871744 IH Annotated Mild C[C@]12CC[C@H]3[C@@H](Cc4onc5c4[C@]3(C)C/C(=N\O)C5=O)[C@@H]1CC[C@@]2(O)Cc1ccccn1 ZINC000299871751 IH Annotated Mild O=C(Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1)c1cccs1 ZINC000299871974 IH Annotated Anodyne CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)ccc21 ZINC000299872046 IH Annotated Anodyne CCCCN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000299872729 IH Annotated Anodyne CCCCN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000299872730 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299874143 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299874144 IH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299874687 IH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299874688 IH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299874689 IH Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299874690 IH Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000299874860 IH Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000299874861 IH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000299875366 IH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299875367 IH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299875368 IH Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000299875369 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299876279 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299876280 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299876736 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299876737 IH Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN(Cc3ccco3)C[C@H]3CCCO3)C(=O)O[C@@H]1C2 ZINC000299877189 IH Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000299877190 IH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000299877268 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000299877387 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000299877388 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000299877389 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299877455 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299877456 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299877756 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000299877757 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299877758 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299877900 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299877901 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299877923 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299877924 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)CC ZINC000299877925 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299878083 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299878084 IH Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@H]3[C@H]1C[C@@H]1[C@@H]3CC(=O)[C@@H]3C[C@@H](O)CC[C@@]31C)[C@]2(C)O ZINC000299878216 IH Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3CC(=O)[C@@H]3C[C@@H](O)CC[C@@]31C)[C@]2(C)O ZINC000299878217 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)c(OC)c1 ZINC000299878486 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)c(OC)c1 ZINC000299878487 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)c(OC)c1 ZINC000299878488 IH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)c(OC)c1 ZINC000299878489 IH 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)cc1 ZINC000299878507 IH 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)cc1 ZINC000299878508 IH 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)cc1 ZINC000299878509 IH 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)cc1 ZINC000299878510 IH Annotated Anodyne COCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299878604 IH Annotated Anodyne COCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299878605 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299878723 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299878724 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cnccn2)C1 ZINC000299879084 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cnccn2)C1 ZINC000299879085 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299879280 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299879281 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299879705 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299879706 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299879730 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299879731 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299879788 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299879789 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299879892 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299879893 IH Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299879982 IH Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299879983 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880087 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299880088 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880419 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880420 IH Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000299880784 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299881124 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299881125 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299881126 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299881401 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299881402 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881532 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881533 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299881833 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)CC ZINC000299881834 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299881835 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299881961 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299882141 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299882142 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299882319 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299882320 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299882747 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299882748 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299882771 IH 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]2c1ccc2c(c1)OCO2 ZINC000299883147 IH 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]2c1ccc2c(c1)OCO2 ZINC000299883148 IH 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]2c1ccc2c(c1)OCO2 ZINC000299883149 IH 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]2c1ccc2c(c1)OCO2 ZINC000299883150 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299883335 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299883391 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299883392 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000299883472 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000299883473 IH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@H](C)CN(C)C)c1 ZINC000299883804 IH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H](C)CN(C)C)c1 ZINC000299883805 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299884087 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299884088 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299884089 IH Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)CCO)n2)cc1 ZINC000299884289 IH Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)CCO)n2)cc1 ZINC000299884290 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299884527 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299884528 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299884591 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299884592 IH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000299884652 IH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000299884653 IH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000299884654 IH Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000299884655 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884805 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884806 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299885289 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299885290 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299885314 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299885315 IH Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299885810 IH Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299885811 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299886138 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299886139 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299886140 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299886141 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299886320 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299886321 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299886647 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299886648 IH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299886676 IH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299886677 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299887067 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299887068 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299887069 IH Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(c6ccccc6F)CC5)[C@H]4C[C@@]13O2 ZINC000299887329 IH Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(c6ccccc6F)CC5)[C@H]4C[C@]13O2 ZINC000299887330 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299887491 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299887492 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)CC ZINC000299887493 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299887494 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299887598 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299887599 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299887714 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299887715 IH Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)CCC#N)cc3N2)cc1OC ZINC000003012096 IH Annotated Mild COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)CCC#N)cc3N2)cc1OC ZINC000003012098 IH Annotated Mild COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N(C)CCC#N)cc3N2)cc1OC ZINC000003012100 IH Annotated Mild COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N(C)CCC#N)cc3N2)cc1OC ZINC000003012102 IH Annotated Mild Cc1nc2nc(SCc3cc(=O)n4c(C)cccc4n3)nn2c(C)c1Cc1ccccc1 ZINC000003040298 IH Annotated Anodyne C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000003040737 IH Annotated Mild CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1 ZINC000003046976 IH Annotated Anodyne CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1Sc1ccc(F)cc1 ZINC000003048863 IH Annotated Anodyne C=CCn1c(SCc2ccc(C)cc2)nc2cc(C(=O)N3CCOCC3)ccc2c1=O ZINC000003052132 IH Annotated Mild N#Cc1ccc(-c2ccc(OCC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1 ZINC000003358185 IH Annotated Mild CCN(Cc1cc(=O)n2cc(Cl)c(C)c(Cl)c2n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000003371639 IH Annotated Anodyne CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1 ZINC000003446704 IH Annotated Anodyne COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)NC(C)C)cc1Cl ZINC000003490582 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)CN=C(c1ccccc1)c1ccccc1)[C@H]3C2 ZINC000301054693 IH Annotated Mild CCCCOC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OO ZINC000301055187 IH Annotated Reactive C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000030730984 IH Annotated Anodyne NCC(CCCN1CCN(N=Cc2cccnc2)CC1)(c1ccccc1)c1ccccc1 ZINC000306146148 IH Annotated Mild CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 ZINC000306146440 IH Annotated Mild CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(C(=O)[C@H](C)[C@H](C)O)=C3C2=CO1 ZINC000306146441 IH Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(C)C[C@@H]12 ZINC000031302439 IH Annotated Reactive CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cc(Cl)c(Cl)cc1C2=O ZINC000031440409 IH Annotated Clean CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C[C@H]5O[C@]54[C@@H]3CC[C@]2(O)C1 ZINC000031623328 IH Annotated Anodyne COC(=O)/C=C(\C(=O)OC)c1c2c3c(cc(OC)c(OC)c3c3ccccc13)CCN2C ZINC000031829670 IH Annotated Bother C=CC[C@H](C(=O)OC)[C@]1(C(=O)OC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1 ZINC000031841511 IH Annotated Mild C=CC[C@@H](C(=O)OC)[C@]1(C(=O)OC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1 ZINC000031841512 IH Annotated Mild C=CC[C@H](C(=O)OC)[C@@]1(C(=O)OC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1 ZINC000031841514 IH Annotated Mild C=CC[C@@H](C(=O)OC)[C@@]1(C(=O)OC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1 ZINC000031841515 IH Annotated Mild C/C=C\[C@H](CC(=O)O)CN1CCC2=C(C1)[C@@H](S(=O)(=O)C(F)(F)F)c1ccccc12 ZINC000031898168 IH Annotated Anodyne C/C=C\[C@@H](CC(=O)O)CN1CCC2=C(C1)[C@@H](S(=O)(=O)C(F)(F)F)c1ccccc12 ZINC000031898171 IH Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)c3ccccc3C(=O)[C@H]1N2C1CCCCC1 ZINC000031898911 IH Annotated Anodyne COC(=O)[C@@H](CCc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000031899931 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccccc2)c2ccc(F)cc2F)cc1 ZINC000031908923 IH Annotated Anodyne CC1=CCC(=O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@@]1(C)[C@@H]2CC(=O)O ZINC000032011147 IH Annotated Anodyne CC1=CCC(=O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@@]1(C)[C@H]2CC(=O)O ZINC000032011148 IH Annotated Anodyne Cc1ccc(N(/C=N/c2ccn([C@@H]3CS[C@H](CO)O3)c(=O)n2)c2ccc(C)cc2)cc1 ZINC000032139179 IH Annotated Mild C=C1[C@H](OC(=O)/C(C)=C\C)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000032303224 IH Annotated Mild in-vitro biogenic Cc1cc(=O)[nH]c(N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)n1 ZINC000032704160 IH Annotated Mild C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000032731779 IH Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032731782 IH Annotated Anodyne C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000032731785 IH Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032731789 IH Annotated Anodyne Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1 ZINC000033344734 IH Annotated Reactive O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)Nc1cccc2nonc12 ZINC000033584447 IH Annotated Clean COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000033627773 IH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000033627774 IH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000033627775 IH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000033627776 IH Annotated Anodyne COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000033658203 IH Annotated Clean O=C(CSc1nnnn1-c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000033817052 IH Annotated Bother CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1Oc2cc4c(c(O)c2C(=O)[C@]31O)C=CC(C)(C)O4 ZINC000033832151 IH Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1Oc2cc4c(c(O)c2C(=O)[C@@]31O)C=CC(C)(C)O4 ZINC000033832153 IH Annotated Anodyne CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@]1(O)c3cc4c(cc3O[C@@H]1O2)OC(C)(C)C=C4 ZINC000033832154 IH Annotated Anodyne in-vitro biogenic COc1c(C)c(O)c(C(C)=O)c(O)c1C[C@H]1C=C(CC=C(C)C)C(O)=C(C(C)=O)[C@@H]1O ZINC000033832399 IH Annotated Mild in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000033833962 IH Annotated Mild in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)C(C)C)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000033833963 IH Annotated Mild in-vitro biogenic c1ccc(CNCc2ccc(CC3CCNCCc4cccc(n4)CCNCC3)cc2)nc1 ZINC000034012958 IH Annotated Anodyne CN[C@@H](Cc1ccc(O)cc1)CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1 ZINC000034047265 IH Annotated Anodyne COc1ccc(S(=O)(=O)ON2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1 ZINC000034074637 IH Annotated Mild Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCN3CCOCC3)c2n1 ZINC000034121912 IH Annotated Anodyne O=[S@@]1O[C@H](c2ccc(F)cc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000034135073 IH Annotated Mild CCN1CCN(c2ncnc3sc(C(=O)Nc4cnc5ccccc5c4)c(C)c23)CC1 ZINC000034138972 IH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000034148538 IH Annotated Anodyne CCc1cc2c(nc1CC)CCN(CC/C(C)=N\OC[C@@H](O)COCc1ccco1)C2 ZINC000034149169 IH Annotated Mild CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)c3ccoc3)[C@H]1CCC[C@]21CO1 ZINC000034199461 IH Annotated Anodyne C[C@H](CC(=O)O)[C@]1(C)CC=C2C(C(=O)O)=C(C[C@]34CC[C@H](O3)C(C)(C)C4=O)C[C@@H](O)[C@]21C ZINC000034205088 IH Annotated Anodyne in-man endogenous COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2OC(C)=O)cc1 ZINC000034207143 IH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2OC(C)=O)cc1 ZINC000034207144 IH Annotated Mild CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)O[C@@H]1CCCN(C)C1 ZINC000034207845 IH Annotated Anodyne CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)O[C@H]1CCCN(C)C1 ZINC000034207846 IH Annotated Anodyne C[C@H](Br)C1=C(Br)C(=C(Br)Br)OC1=O ZINC000034241220 IH Annotated Reactive C[C@@H](Br)C1=C(Br)C(=C(Br)Br)OC1=O ZINC000034241222 IH Annotated Reactive C[C@H](O)[C@H](Cl)[C@@H]1C[C@@H]1C1=C(Br)[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000034277947 IH Annotated Reactive CC#CCOC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)n[nH]1 ZINC000034298420 IH Annotated Mild CC/C=C\C/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C\C=C\[C@@H](O)CCC(=O)OC ZINC000034585537 IH Annotated Mild CCCN1N=C2/C(=C/c3ccc(OC)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(OC)cc1 ZINC000034588894 IH Annotated Anodyne O=C1COc2ccc(NC(=O)C3CCN(c4cccc(F)c4Br)CC3)cc2N1 ZINC000034631145 IH Annotated Anodyne CN(Cc1cccc(C(F)(F)F)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000034636444 IH Annotated Anodyne CN(Cc1cccc(C(F)(F)F)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000034636445 IH Annotated Anodyne CC[C@@H](c1cc[n+](C)cc1C(=O)O)[C@@H]1O[C@](C)(C[C@@H](CC)[C@H](O)CC(=O)O)C[C@H]1CC ZINC000034651889 IH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(O)c(C)c1c32 ZINC000034655622 IH Annotated Anodyne CNc1nccc(-c2ccc(C(=O)N[C@H](CO)Cc3ccc(Cl)cc3Cl)s2)n1 ZINC000034661869 IH Annotated Anodyne CCN(CC)c1nc(N/N=C\c2cccc([N+](=O)[O-])c2OC)nc(Nc2ccccc2)n1 ZINC000034690033 IH Annotated Mild CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 ZINC000034778276 IH Annotated Anodyne CN1C(=N)N[C@@]2(c3cc(-c4cccc(C#N)c4)cs3)CN(c3ccc(F)cc3)C[C@H]2C1=O ZINC000034785853 IH Annotated Mild CN1C(=N)N[C@@]2(c3ccc(-c4ccc(F)c(C#N)c4)s3)CN(c3ccccc3)C[C@H]2C1=O ZINC000034787398 IH Annotated Mild CCCN(C)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O ZINC000034805022 IH Annotated Anodyne CCN(CC)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O ZINC000034805181 IH Annotated Anodyne Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCCCC1)C2 ZINC000034805185 IH Annotated Anodyne O=C(CSc1nnnn1-c1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000034817562 IH Annotated Bother O=C(CSc1nnnn1-c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000034817568 IH Annotated Bother CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(/C(O)=N/C3CCCC3)c2c1 ZINC000034858259 IH Annotated Mild CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000034860250 IH Annotated Anodyne CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000034860253 IH Annotated Anodyne CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000034860256 IH Annotated Anodyne CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000034860258 IH Annotated Anodyne CN(C(=O)CCC/N=C(\O)Cn1cnc2sc3c(c2c1=O)CCCC3)C1CCCCC1 ZINC000034860872 IH Annotated Mild Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCC3)c(=O)c2c1 ZINC000034861055 IH Annotated Anodyne O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CC=C(c2ccccc2)CC1 ZINC000034861100 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(SCc4cccc(F)c4)nnc3c2c1 ZINC000034861181 IH Annotated Anodyne Cc1ccccc1Cc1c(C)nc2nc(SC/C(O)=N/C[C@@H]3CCCO3)nn2c1C ZINC000034861467 IH Annotated Mild Cc1ccccc1Cc1c(C)nc2nc(SC/C(O)=N/C[C@H]3CCCO3)nn2c1C ZINC000034861471 IH Annotated Mild CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)Oc1ccc(O)c(C=O)c1 ZINC000034867397 IH Annotated Anodyne CC[C@@H](NC)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 ZINC000034894694 IH Annotated Anodyne CNC(C)(C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 ZINC000034946195 IH Annotated Anodyne CCN[C@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 ZINC000034946333 IH Annotated Anodyne COc1c(N2CC[C@@H]([C@@H](C)N(C)C)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000034946340 IH Annotated Anodyne O=C(O)c1cccc(CN2CCn3c(=O)n(-c4cccc(Cl)c4)c(=O)c4cccc2c43)c1 ZINC000034948256 IH Annotated Anodyne COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3C4=CCCN5CCC[C@H]2[C@@]45C[C@H](C)[C@H]3O)ccc1O ZINC000034950775 IH Annotated Anodyne COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3[C@H](O)[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)ccc1O ZINC000034950811 IH Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)NC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961662 IH Annotated Anodyne CC(C)C1=C[C@H]2[C@H]3C(=O)C(c4ccc(O)cc4)=C[C@@]3(c3ccc(O)cc3)[C@@H]1C(=O)[C@]2(C)O ZINC000034986073 IH Annotated Mild in-vitro biogenic CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@@H](C)CN1CCN(C(C)=S)CC1 ZINC000034987760 IH Annotated Anodyne CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(C)=S)CC1 ZINC000034987761 IH Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(Cl)c(Cl)cc12 ZINC000003591455 IH Annotated Anodyne O=C(Cc1cc2ccccc2[nH]1)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614624 IH Annotated Anodyne O=C(Cc1cc2ccccc2[nH]1)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614629 IH Annotated Anodyne O=C(OC[C@H](O)CO)c1nn(Cc2cc(Cl)c(Cl)cc2Cl)c2ccccc12 ZINC000003629067 IH Annotated Anodyne O=C(OC[C@@H](O)CO)c1nn(Cc2cc(Cl)c(Cl)cc2Cl)c2ccccc12 ZINC000003629069 IH Annotated Anodyne O=C1NC(=O)/C(=C2\CN(Cc3ccc4ccccc4c3)S(=O)(=O)c3ccccc32)S1 ZINC000003630179 IH Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(C)c1OC ZINC000003648304 IH Annotated Mild Cc1cc(C)n2c(S[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)nnc2n1 ZINC000003651250 IH Annotated Anodyne Cc1cc(C)n2c(S[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)nnc2n1 ZINC000003651253 IH Annotated Anodyne Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(SCC(=O)O)C(=O)c3ccccc32)cc1C ZINC000003656694 IH Annotated Mild CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(CC(C)C)CC(C)C)c21 ZINC000003662145 IH Annotated Anodyne CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c(C)c1 ZINC000003665208 IH Annotated Anodyne CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670474 IH Annotated Anodyne CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670475 IH Annotated Anodyne CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC(C)C)cc1 ZINC000003670572 IH Annotated Anodyne CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC(C)C)cc1 ZINC000003670573 IH Annotated Anodyne O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@H]2C1 ZINC000003779466 IH Annotated Bother CCC(C)(C)C(=O)O[C@H]1[C@H](CO)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000003790168 IH Annotated Anodyne C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1ccc(F)cc1 ZINC000003797884 IH Annotated Mild CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1COc2cccc(OC)c2C1 ZINC000003800232 IH Annotated Anodyne O=C1CCCCN1[C@@H]1c2cc(C(F)(F)C(F)(F)F)ccc2OC(CF)(CF)[C@H]1O ZINC000003807842 IH Annotated Mild Cn1ccnc1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1 ZINC000003815601 IH Annotated Anodyne CCCN(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000003815611 IH Annotated Reactive O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000003822878 IH Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc(Cl)cc4)cs3)[C@H](C)[C@H]12 ZINC000003825027 IH Annotated Anodyne COc1cc(CCC[C@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C ZINC000003825180 IH Annotated Anodyne CC(=O)O[C@@H]1[C@@H](CF)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000003827193 IH Annotated Anodyne CC[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 ZINC000003832147 IH Annotated Anodyne CC(C)(O)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000003874617 IH Annotated Mild CC(C)(O)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000003874618 IH Annotated Mild CC(C)(O)[C@@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000003874619 IH Annotated Mild CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000003926295 IH Annotated Anodyne O=C(O)C[C@@H](c1ccc2c(c1)OCC2)N1CC[C@@H](CCCc2ccc3c(n2)NCCC3)C1=O ZINC000003930883 IH Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO[N+](=O)[O-])nn2C2CCCCC2)cc1 ZINC000003933452 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000003934871 IH Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@H](O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000003934872 IH Annotated Anodyne O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1cc(Cl)cc(Cl)c1 ZINC000003940342 IH Annotated Anodyne Cc1cc(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)c(C)cc1Cl ZINC000003940345 IH Annotated Anodyne COc1cc2c(C(=O)NCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000003950276 IH Annotated Bother COc1cc2cc(C(=O)NCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000003950279 IH Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(N)c3)c(F)c2)C(=O)O1 ZINC000003955683 IH Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003955776 IH Annotated Anodyne CCN1c2ncc(CCOc3ccc(C(=O)O)cc3C)cc2C(=O)N(C)c2cccnc21 ZINC000003961889 IH Annotated Anodyne C[C@H]1CN(C(=O)Nc2ccc(C#N)nc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000003963652 IH Annotated Mild C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCOCC3=O)C[C@@H]21 ZINC000003989935 IH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)ccc1F ZINC000035000946 IH Annotated Mild Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)n[nH]c2=O)cc1 ZINC000035002840 IH Annotated Anodyne Cc1ccc(-n2c(CO)nnc2SCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000035002843 IH Annotated Anodyne CSc1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncsc32)c1 ZINC000035010331 IH Annotated Anodyne CCOC(=O)C[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000035049997 IH Annotated Anodyne CCOC(=O)C[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000035049998 IH Annotated Anodyne CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000035049999 IH Annotated Anodyne CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000035050000 IH Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000035079518 IH Annotated Clean CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000035079520 IH Annotated Clean COc1ccc2c(c1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O ZINC000035079985 IH Annotated Clean CC(=O)Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl ZINC000035242383 IH Annotated Clean CN(C)CCCOC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1 ZINC000035308560 IH Annotated Anodyne C=C1[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@H]1[C@@H](O)C=C1[C@@H](OC)O[C@@H](OC)[C@@H]12 ZINC000035801396 IH Annotated Mild COc1cc(C(=O)c2c(-c3cnn(C)c3)oc3c(O)c(OC)ccc23)cc(OC)c1OC ZINC000035819667 IH Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000035827443 IH Annotated Bother COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)C[C@@H]3c2ccccc2)cc1 ZINC000035849597 IH Annotated Anodyne in-vitro biogenic CN(C)C/C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000035879472 IH Annotated Anodyne CO[C@]1(C)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000035879577 IH Annotated Clean CO[C@@]1(C)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 ZINC000035879578 IH Annotated Clean CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000035919884 IH Annotated Bother C=C1[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@H]1C(=O)C=C1[C@@H](OC)O[C@@H](OC)[C@@H]12 ZINC000035934248 IH Annotated Mild S=C(N1CCN(c2ccccc2)CC1)N1CCC(c2cccc(Br)c2)=N1 ZINC000035951793 IH Annotated Anodyne CCc1ccc(-c2cc3cnn(-c4ccc(N5CC[C@@H](NC)C5)nc4)c(=O)c3s2)cc1 ZINC000035951866 IH Annotated Anodyne O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4Br)CC3)cc2N1 ZINC000035969988 IH Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000035970411 IH Annotated Anodyne CN(C)S(=O)(=O)N[C@@H](CCCCCC(=O)O)c1ncc(-c2ccc3ccccc3c2)[nH]1 ZINC000035975452 IH Annotated Anodyne Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000035998053 IH Annotated Anodyne CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1 ZINC000035998204 IH Annotated Anodyne N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2F)[C@@H]2CN(Cc3ccccc3)CC=C12 ZINC000036022849 IH Annotated Reactive CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc12 ZINC000036126899 IH Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000036152473 IH Annotated Bother CN(C)[C@@H](Cc1ccc(O)cc1)CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1 ZINC000036216274 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@@H]2C ZINC000036222922 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@@H]2C ZINC000036222925 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@@H]2C ZINC000036222927 IH Annotated Anodyne Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@@H]2C ZINC000036222930 IH Annotated Anodyne CC(=O)CCc1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 ZINC000036242938 IH Annotated Anodyne CCOCc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 ZINC000036242952 IH Annotated Anodyne COS(=O)(=O)[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C ZINC000036271721 IH Annotated Mild Cc1cccc(N2CCN(CCNCc3ccc(CN4CCCCC4)o3)C2=C(C#N)C#N)c1 ZINC000036338474 IH Annotated Reactive Cc1ccc(N2CCN(CCNCc3ccc(CN4CCCCC4)o3)C2=C(C#N)C#N)cc1 ZINC000036338477 IH Annotated Reactive CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC)C4)C3)s2)cc1 ZINC000036351786 IH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@@H](C)C[C@H]1O ZINC000036374971 IH Annotated Anodyne COc1cc2nc3occc3c(OC)c2cc1OC[C@H](OC(C)=O)C(C)(C)OC(C)=O ZINC000036375310 IH Annotated Anodyne COc1cc2nc3occc3c(OC)c2cc1OC[C@@H](OC(C)=O)C(C)(C)OC(C)=O ZINC000036375312 IH Annotated Anodyne C=CCN1Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]2(CC=C)C1=O ZINC000036375538 IH Annotated Mild C=CCN1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(CC=C)C1=O ZINC000036375568 IH Annotated Mild O=C(NCc1ccccc1)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375597 IH Annotated Anodyne O=C(Cn1cc(CNC(=O)C2CCCCC2)nn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036379044 IH Annotated Anodyne CC(C)OC(=O)[C@H](C)NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000036379269 IH Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccc(C(=O)OC(C)(C)C)cc3)c12 ZINC000036380194 IH Annotated Anodyne O=S(=O)(c1ccsc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036381483 IH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000036381641 IH Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000036381642 IH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000036381652 IH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000036381654 IH 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)cc1 ZINC000036382414 IH 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)cc1 ZINC000036382415 IH Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(C)cc2)C1=O ZINC000036382424 IH Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(C)cc2)C1=O ZINC000036382425 IH Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382438 IH Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382439 IH Annotated Anodyne COc1cc(-c2noc(C)c2C#CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000036383056 IH Annotated Mild NCCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000036383480 IH Annotated Anodyne COc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)cc1 ZINC000036384011 IH Annotated Anodyne aggregator COC(=O)C1(Cc2cc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000036384219 IH Annotated Bother COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384261 IH Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036384290 IH Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036384315 IH Annotated Anodyne COc1ccc(CN2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@H]2CCO)c(C)c1C ZINC000036385833 IH Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)cc1)N[C@@]2(CC(C)C)C(=O)OC ZINC000036386455 IH Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386536 IH Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386537 IH Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386542 IH Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2ccco2)n(C[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC000036387838 IH Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2ccco2)n(C[C@H]2CC(c3cccnc3)=NO2)n1 ZINC000036387840 IH Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)NC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388497 IH Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036388539 IH Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036388581 IH Annotated Mild O=c1oc2ccc(C#CC3(O)CCCCC3)cc2cc1-n1cc(C2(O)CCCCC2)nn1 ZINC000036388797 IH Annotated Mild Nc1cccc(-c2cn(-c3cc4cc(C#CC5(O)CCCCC5)ccc4oc3=O)nn2)c1 ZINC000036388799 IH Annotated Mild O=C1c2ccccc2C(=O)N1CCC#Cc1ccc2cc(C3(O)CCCCC3)oc(=O)c2c1 ZINC000036388904 IH Annotated Mild CCCCN1CC(=O)N2[C@H]3c4ccc(OC)cc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O ZINC000036389053 IH Annotated Anodyne O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O ZINC000036389426 IH Annotated Anodyne CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(C)c(Cl)cc3OC)cc2cn1 ZINC000036410060 IH Annotated Anodyne CC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O ZINC000036410241 IH Annotated Mild in-vitro biogenic C[C@H](CO)CCC[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 ZINC000036426357 IH Annotated Anodyne CC1(C)C=Cc2c(cc3occ(-c4ccc5c(c4)[C@H](O)[C@@H](C(C)(C)O)O5)c(=O)c3c2O)O1 ZINC000036465066 IH Annotated Anodyne CN(C)[C@@H]1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1 ZINC000036477682 IH Annotated Anodyne c1cnc2c(c1)CC[C@@H]1CCCN(Cc3cn4c(N5CCN6CCC[C@H]6C5)cccc4n3)[C@H]21 ZINC000036477683 IH Annotated Anodyne CN1CC[C@H](N(C)c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1 ZINC000036479478 IH Annotated Anodyne CN1CC[C@@H](N(C)c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1 ZINC000036479479 IH Annotated Anodyne N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 ZINC000036490030 IH Annotated Mild N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 ZINC000036490031 IH Annotated Mild O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NCc1ccco1 ZINC000036663678 IH Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000037492501 IH Annotated Anodyne C=CCNC(=S)N/N=C/c1ccc(OCc2ccc3c(c2)[N+](=O)C(C)(C)N3O)cc1 ZINC000377407360 IH Annotated Mild C=CCNC(=S)N/N=C\c1ccccc1OCc1ccc2c(c1)[N+](=O)C(C)(C)N2O ZINC000377407364 IH Annotated Mild Cn1ccc(=Nc2ccc(Oc3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000377407623 IH Annotated Anodyne NC(=O)/C=C\c1ccc(NC(=O)/C=C2\C[C@@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 ZINC000377521728 IH Annotated Anodyne Cc1ccc2c(c1)=C1C(=O)N=C(SCc3ccccc3)NN1[C@H](c1ccc(Cl)cc1)N=2 ZINC000377805997 IH Annotated Anodyne Cc1ccc2c(c1)=C1C(=O)N=C(SCc3ccccc3)NN1[C@@H](c1ccc(Cl)cc1)N=2 ZINC000377805998 IH Annotated Anodyne C=CCOC(=O)[C@H]1[C@H]2CC[C@H]3C[C@@]4(CCC=C[C@H](CC)O4)N=C(N[C@@]14CCC[C@@H](C)O4)N32 ZINC000377814128 IH Annotated Mild C[C@H](COc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O)c1ccccc1 ZINC000377815840 IH Annotated Anodyne C[C@@H](COc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O)c1ccccc1 ZINC000377815841 IH Annotated Anodyne COc1ccccc1COC(=O)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 ZINC000377815845 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)n2ncc(C(=O)OCc4cccs4)c2[nH][n+]3=O)cc1 ZINC000377836349 IH Annotated Anodyne COC(=O)c1ccc2c(c1)n(O)c(C(=O)c1ccc3ccccc3c1)c(C(F)(F)F)[n+]2=O ZINC000377845664 IH Annotated Anodyne C1=CN2CCOCCN3C=CC(=NCCOCCN=C1c1ccccc12)c1ccccc13 ZINC000377848802 IH Annotated Anodyne CC(=O)O[C@@H]1[C@H](CF)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000038142731 IH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(S(=O)(=O)C(C)C)c3ccccc32)nc2ccccc21 ZINC000038142824 IH Annotated Anodyne CCCCCCCCN1[C@@H](CC(=O)OC)c2ccc(/C=C/C(=O)OC)cc2S1(=O)=O ZINC000038143022 IH Annotated Mild COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@H]2SCCC(=O)O ZINC000038147687 IH Annotated Anodyne COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2SCCC(=O)O ZINC000038147688 IH Annotated Anodyne CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CC[C@@H]3CCCS3)CC1=O)C2 ZINC000038149874 IH Annotated Anodyne CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CC[C@H]3CCCS3)CC1=O)C2 ZINC000038149875 IH Annotated Anodyne COc1cc2c(cc1OC)S[C@H](C(=O)CC1(O)CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000038151247 IH Annotated Bother COc1cc2c(cc1OC)S[C@@H](C(=O)CC1(O)CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000038151248 IH Annotated Bother CCCCCCCCCCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000038152176 IH Annotated Mild COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000038192448 IH Annotated Anodyne COC(=O)c1ccc(Br)c(CSc2nc3ccccc3n2CC(=O)O)c1 ZINC000038210383 IH Annotated Anodyne COc1cc(OC)cc(-c2cc(=O)c3ccc(OC[C@@H](O)CNC(C)(C)C)cc3o2)c1 ZINC000038239689 IH Annotated Anodyne COc1cc(OC)cc(-c2cc(=O)c3ccc(OC[C@H](O)CNC(C)(C)C)cc3o2)c1 ZINC000038239690 IH Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@](C)(O)c2cc3cc(OC)c(OC)cc3o2)ccc1O ZINC000038239712 IH Annotated Anodyne CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cnc(C(C)(C)O)nc3)cc2[nH]1 ZINC000038239885 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C=C(\C)CC[C@H]2O[C@]2(C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000038250107 IH Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000038253865 IH Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000038253866 IH Annotated Anodyne CCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1 ZINC000038253868 IH Annotated Anodyne N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCC3)N1CC[C@@H](NCc3cncn3C2)C1=O ZINC000038306561 IH Annotated Mild in-vivo C/C=C/C=C/C=C/[C@H](O)[C@@H](C)[C@@H](CC[C@@H](C)[C@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O ZINC000038322095 IH Annotated Anodyne in-vitro C/C=C/C=C/C=C/[C@@H](O)[C@@H](C)[C@@H](CC[C@@H](C)[C@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O ZINC000038322096 IH Annotated Anodyne in-vitro C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](CC[C@@H](C)[C@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O ZINC000038322098 IH Annotated Anodyne in-vitro C/C=C/C=C/C=C/[C@@H](O)[C@H](C)[C@@H](CC[C@@H](C)[C@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O ZINC000038322100 IH Annotated Anodyne in-vitro COc1cc(OC)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O ZINC000038347584 IH Annotated Clean in-vitro biogenic COc1c(F)c(F)cc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)c1F ZINC000038360114 IH Annotated Anodyne CC(=S)N(NC(=O)C(C)(C)C(=O)NN(C(C)=S)c1ccccc1)c1ccccc1 ZINC000038468944 IH Annotated Reactive CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)c1 ZINC000038472835 IH Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@]1(C)C/C=C\[C@@](C)(OC(C)=O)CCC[C@H](C)[C@H]2OC(C)=O ZINC000038513653 IH Annotated Mild CC[C@@H](C)C1=N[C@](C(=O)N/C=C\c2c[nH]c3cc(Br)ccc23)(C(C)C)NC1=O ZINC000038562132 IH Annotated Anodyne CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@@H](CC)OC(C)=O)c3c1O)C[C@H](C(C)(C)O)O2 ZINC000038562270 IH Annotated Anodyne CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(O)ccc4c3c2c1=O ZINC000038654876 IH Annotated Bother COCCOCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000038657236 IH Annotated Anodyne CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@H](CC)OC(C)=O)c3c1O)C[C@H](C(C)(C)O)O2 ZINC000038733478 IH Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)CC[C@H](O)C[C@H]1CCC[C@H](C[C@@H](O)CC2)N1 ZINC000038792145 IH Annotated Anodyne in-vitro biogenic NC(N)=N/N=C/c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2sc(Cl)cn12 ZINC000038807565 IH Annotated Mild Cc1sc2nc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(/C=N/N=C(N)N)n2c1C ZINC000038807571 IH Annotated Mild CCCc1cn2c(/C=N/N=C(N)N)c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nc2s1 ZINC000038807585 IH Annotated Mild Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O ZINC000038839616 IH Annotated Anodyne CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O[C@H]4OC[C@H](O)[C@H](O)[C@H]4O)c(C)c1c32 ZINC000038879930 IH Annotated Anodyne Cc1ccc(N(/C=N/c2ccn([C@H]3CS[C@@H](CO)O3)c(=O)n2)c2ccc(C)cc2)cc1 ZINC000038907427 IH Annotated Mild CC[C@@H](C)C1=N[C@](C(=O)N/C=C\c2c[nH]c3ccc(Br)cc23)(C(C)C)NC1=O ZINC000038908289 IH Annotated Anodyne CC1=CCC[C@H]2[C@@](C)(CC/C(C)=C/C[C@@]3(O)C(=O)O[C@@H]4[C@@H](O)CO[C@@]43O)[C@H](C)CC[C@@]12C ZINC000038908588 IH Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3CCN2C)cc(Br)c1OC ZINC000038940949 IH Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3CCN2C)cc(Br)c1OC ZINC000038940950 IH Annotated Reactive C=C(C)[C@H](O)CC[C@@]1(C)CC=C(CO)C(=O)[C@@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000038968960 IH Annotated Mild in-vitro biogenic CC(=O)N[C@@H](COC(C)=O)[C@H](O)[C@@H](CCCCCCCCCCC(C)C)OC(C)=O ZINC000039013106 IH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C ZINC000039013144 IH Annotated Mild CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(C/C=C/C(C)(C)O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000039013243 IH Annotated Mild in-vitro biogenic CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@@](C)(O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C ZINC000039013505 IH Annotated Anodyne CCC(=O)O[C@@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@@]21C ZINC000039034735 IH Annotated Mild in-vivo C=C[C@@]1(C)CCC2=C(C1=O)[C@H](OC(C)=O)C[C@@H]1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(=O)OC ZINC000039035302 IH Annotated Mild CC(=O)C[C@@H]1C(=O)[C@]2(O)COC(C)(C)[C@H]3CC[C@@](C)(C[C@@H]32)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000039065594 IH Annotated Anodyne CC(=O)C[C@@H]1C(=O)[C@]2(O)COC(C)(C)[C@@H]3CC[C@@](C)(C[C@@H]32)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000039065596 IH Annotated Anodyne CCOC(=O)C[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000039182166 IH Annotated Anodyne CCOC(=O)C[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000039182167 IH Annotated Anodyne CC(=O)N1CCN(C(=O)c2cccc(Nc3cc(N(C)c4cccc(C)c4)ncn3)c2)CC1 ZINC000039300920 IH Annotated Anodyne C=C[C@@H]1C[C@]23C[C@H]([C@@H](OC(=O)CCC(=O)O)c4ccnc5ccc(OC)cc45)N2CC[C@H]13 ZINC000039939789 IH Annotated Mild C=C[C@@H]1C[C@]23C[C@H]([C@H](OC(=O)CCC(=O)O)c4ccnc5ccc(OC)cc45)N2CC[C@H]13 ZINC000039939790 IH Annotated Mild CCCN(CCC)S(=O)(=O)c1ccc(N2CCCC2=O)c(NC(=O)OC(C)C)c1 ZINC000004012564 IH Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)CCCOc3cc(=O)n(C)c4ccccc34)CC2)c1 ZINC000004034351 IH Annotated Anodyne CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000004034749 IH Annotated Anodyne CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000004034750 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004035251 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004035252 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004035253 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004035254 IH Annotated Anodyne COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1 ZINC000004035563 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004039729 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004039730 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCO)cc1 ZINC000004039732 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCO)cc1 ZINC000004039733 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039901 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039915 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039923 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039928 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040606 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040609 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040610 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040654 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040655 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040656 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040658 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040659 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040666 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040725 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040727 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040730 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004040733 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040775 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040777 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040779 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004040788 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004043496 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004043499 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004043500 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004043501 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004043542 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004043545 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004043550 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004043553 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044535 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044539 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044548 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045215 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045216 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045217 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045219 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045531 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045533 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046298 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046300 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046319 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046321 IH Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCNC(=O)OCc3ccccc3)nc2n1 ZINC000004048743 IH Annotated Anodyne CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCNC(=O)OCc3ccccc3)nc2n1 ZINC000004048744 IH Annotated Anodyne CC1CCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)CC1 ZINC000004048858 IH Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCCNC(=O)OCc3ccccc3)nc2n1 ZINC000004048892 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004048998 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004048999 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049000 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049001 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049038 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049039 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049040 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049041 IH Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049154 IH Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049155 IH Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049156 IH Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049157 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049439 IH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049440 IH Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049441 IH Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049442 IH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049551 IH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049552 IH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049553 IH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049554 IH Annotated Bother COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049637 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049638 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049639 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049640 IH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCC#N ZINC000004049976 IH Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCC#N ZINC000004049977 IH Annotated Mild COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCC#N ZINC000004049979 IH Annotated Mild COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCC#N ZINC000004049982 IH Annotated Mild COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004050051 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004050052 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004050056 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004050062 IH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050164 IH Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050166 IH Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050169 IH Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050170 IH Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 ZINC000004051222 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 ZINC000004051224 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 ZINC000004051226 IH Annotated Anodyne O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000004051334 IH Annotated Anodyne O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000004051339 IH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051601 IH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051602 IH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051603 IH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051604 IH Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004051939 IH Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004051940 IH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000004053659 IH Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1OC ZINC000004053660 IH Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004053661 IH Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004053662 IH Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004053663 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004054525 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004054529 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004054532 IH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004054888 IH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004054889 IH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004054890 IH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004054891 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055154 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055155 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004055156 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004055157 IH Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055166 IH Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055167 IH Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055168 IH Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055169 IH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055266 IH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055267 IH Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055268 IH Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055269 IH Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055669 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055670 IH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055671 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055672 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004057604 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004057605 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004057606 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004057607 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076070 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076073 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076075 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076081 IH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004076104 IH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004076109 IH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004076118 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004076128 IH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004076752 IH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004076765 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004077629 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004077642 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004077696 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004077700 IH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004077758 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004077777 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079280 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079298 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079308 IH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C ZINC000004079762 IH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C ZINC000004079764 IH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004080538 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000004080540 IH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080590 IH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080592 IH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004080593 IH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004080594 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004080623 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004080626 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080736 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080738 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080740 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080801 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080803 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080805 IH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080807 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080816 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080818 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080820 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080822 IH Annotated Anodyne Cc1ccc(NCc2nnc(SCC(=O)N3CCCCC3)n2C[C@H]2CCCO2)c(C)c1 ZINC000004093078 IH Annotated Anodyne Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC2(CC1)OCCO2 ZINC000004100160 IH Annotated Anodyne COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000004101452 IH Annotated Anodyne CC[C@@H](C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000004104226 IH Annotated Anodyne CC[C@H](C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000004104229 IH Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)CC1 ZINC000004143489 IH Annotated Anodyne N#Cc1cc2c(nc1SC[C@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1)CCCC2 ZINC000004144153 IH Annotated Mild Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)Nc3ccncc3)c2C)cc1 ZINC000004149977 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151869 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151870 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151872 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151873 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004151895 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004151897 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004151899 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004151901 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCO ZINC000004152153 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCO ZINC000004152154 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCO ZINC000004152155 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCO ZINC000004152156 IH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004152351 IH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004152353 IH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004152357 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152391 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152392 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004152393 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004152394 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152411 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152412 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004152413 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004152509 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152510 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004152511 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152512 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCOC ZINC000004152858 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCOC ZINC000004152860 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCCOC ZINC000004152861 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCCOC ZINC000004152862 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCOC)cc1 ZINC000004152894 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCOC)cc1 ZINC000004152896 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004152898 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004152899 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCC#N ZINC000004153329 IH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCC#N ZINC000004153330 IH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCC#N ZINC000004153331 IH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCC#N ZINC000004153333 IH Annotated Mild CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCOC)c1 ZINC000004153368 IH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCOC)c1 ZINC000004153370 IH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCOC)c1 ZINC000004153371 IH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCOC)c1 ZINC000004153372 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153411 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153412 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153413 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153414 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153606 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153607 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153608 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153609 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153879 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153880 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153881 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153882 IH Annotated Anodyne CCn1cc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(=O)c2ccc(C)nc21 ZINC000004195271 IH Annotated Anodyne CCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000004199138 IH Annotated Anodyne CCCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000004199143 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004205218 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004205222 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004205226 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004205268 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004205271 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004205276 IH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004205750 IH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004205754 IH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004205757 IH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004205762 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004206541 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004206543 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000004206547 IH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000004206550 IH Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004206572 IH Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206573 IH Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004206576 IH Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206579 IH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206806 IH Annotated Bother CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206808 IH Annotated Bother CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206812 IH Annotated Bother CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206814 IH Annotated Bother COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207620 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207621 IH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207622 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207623 IH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004208375 IH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004208376 IH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004208377 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004208378 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004208540 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004208541 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004208552 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004208553 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212203 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212205 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212207 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212208 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212317 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212320 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212325 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212328 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212413 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212415 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212418 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212420 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCC#N ZINC000004213974 IH Annotated Mild CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCC#N ZINC000004213976 IH Annotated Mild CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCC#N ZINC000004213978 IH Annotated Mild CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCC#N ZINC000004213980 IH Annotated Mild CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCOC ZINC000004214020 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCOC ZINC000004214021 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCOC ZINC000004214022 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCOC ZINC000004214023 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215402 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215404 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215405 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215407 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215443 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215444 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215451 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215453 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004215577 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004215578 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004215580 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004215582 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216329 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216330 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216334 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216338 IH Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1 ZINC000004238344 IH Annotated Anodyne Cn1cc(-c2nc3cnc(OCc4ccccc4)nc3n(CCC#N)c2=O)c2ccccc21 ZINC000004238653 IH Annotated Mild O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004238656 IH Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000004238790 IH Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000004238812 IH Annotated Anodyne COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238846 IH Annotated Mild COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(OCc3ccccc3)nc21 ZINC000004239062 IH Annotated Anodyne COc1cccc(Nc2ncc3nc(-c4cccs4)c(=O)n(C[C@H]4CCCO4)c3n2)c1 ZINC000004239072 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274867 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274868 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274870 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274871 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274901 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274902 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274903 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274904 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295003 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295005 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295006 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295007 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004296366 IH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004296367 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004296418 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004296419 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004296420 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004296421 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296460 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296461 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296462 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296463 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004296722 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)CC ZINC000004296723 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004296724 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004296725 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CCOCC1 ZINC000004296874 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CCOCC1 ZINC000004296875 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004296912 IH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004296913 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004296952 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004296953 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004296954 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004296955 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296995 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296996 IH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296997 IH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296998 IH Annotated Anodyne COc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)cc1 ZINC000004301678 IH Annotated Mild aggregator COc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)cc1 ZINC000004301679 IH Annotated Mild aggregator CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310442 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310443 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310444 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310445 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004310566 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004310567 IH Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004310568 IH Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004310569 IH Annotated Anodyne O=C(CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1ccco1 ZINC000004354456 IH Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3sccc3n2C)C2CCCC2)cc1 ZINC000004354553 IH Annotated Anodyne COCCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3 ZINC000004388375 IH Annotated Anodyne Cc1sc2c(c1C)C(c1cccs1)=NCC(=O)N2CC(=O)NCc1cccs1 ZINC000004388511 IH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccncc4)cc3)c(F)c2)C(=O)O1 ZINC000040379097 IH Annotated Anodyne CCN1C(=O)[C@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000040379404 IH Annotated Mild CCN1C(=O)[C@@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000040379405 IH Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(Br)c1OC ZINC000040379781 IH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(Br)c1OC ZINC000040379782 IH Annotated Anodyne CCCCCc1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040379827 IH Annotated Mild CCCCCc1ccc(N2C(=O)[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040379828 IH Annotated Mild CC(C)[C@@H](O)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 ZINC000040392688 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccccc1OC ZINC000040392757 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccccc1OC ZINC000040392758 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccccc1OC ZINC000040392759 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccccc1OC ZINC000040392760 IH Annotated Anodyne COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1 ZINC000040393260 IH Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(/C=N/Nc4ccccn4)ccc3oc2c1 ZINC000040393504 IH Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cccc(/C=N\Nc4ccccn4)c3oc2c1 ZINC000040393599 IH Annotated Mild COc1ccc2nc(-c3cccs3)nc(NNS(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000040393672 IH Annotated Anodyne O=C(Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000040393869 IH Annotated Anodyne COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1 ZINC000040394296 IH Annotated Mild O=C(C(=CN1CCN(C(=O)c2ccco2)C1=S)C(=O)c1ccccc1)c1ccccc1 ZINC000040394492 IH Annotated Mild Cc1cc(C(=O)N2CC(F)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040395396 IH Annotated Anodyne Cc1cc(C(=O)N2CC(F)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040395397 IH Annotated Anodyne COCOc1ccccc1-c1c(Br)c2cc(OC)c(OC)cc2c(=O)n1C ZINC000040395582 IH Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccc(Cl)cc1 ZINC000040395613 IH Annotated Reactive CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5c(c4)CC(=O)N5C)c3n2)CC1 ZINC000040401485 IH Annotated Anodyne CN(C)CCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040401693 IH Annotated Bother Sc1nnc(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000040402219 IH Annotated Anodyne Sc1nnc(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000040402222 IH Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)C=C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3=C[C@H]12 ZINC000040403690 IH Annotated Mild CC(=O)c1cc(OCc2ccc(F)c(Cl)c2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040407248 IH Annotated Anodyne Cc1ccc(CSc2nnc(CSc3nc4nc(C)ccn4n3)o2)c([N+](=O)[O-])c1 ZINC000040407689 IH Annotated Bother Nc1nc(=S)[nH]c2c1[C@@H](c1ccc(N3CCCCC3)cc1)c1c([nH]c(=S)[nH]c1=O)N2 ZINC000040411577 IH Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H](c1ccc(N3CCCCC3)cc1)c1c([nH]c(=S)[nH]c1=O)N2 ZINC000040411580 IH Annotated Anodyne Cc1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)N(CC(=O)O)Cc1ccccn1 ZINC000040411632 IH Annotated Anodyne c1ccc2c(c1)OCCc1c-2n(CCc2nnnn2CCN2CCCC2)c2ccccc12 ZINC000040411890 IH Annotated Anodyne O=C([C@@H]1CCc2c(Cl)cc(OCc3ccc(F)c(Cl)c3)c(=O)n21)N1CCCC1 ZINC000040412489 IH Annotated Anodyne c1ccc2c(c1)OCCc1c-2n(CCc2nnnn2CCN2CCCCC2)c2ccccc12 ZINC000040413231 IH Annotated Anodyne OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 ZINC000040420947 IH Annotated Anodyne O=C1NC(=O)c2ccc(C3CCCC3)cc2/C1=C/NCc1cc(=O)c(-c2ccoc2)c[nH]1 ZINC000040421869 IH Annotated Anodyne c1ccc2c(c1)OCCc1c-2n(CCc2nnn(CCN3CCCCC3)n2)c2ccccc12 ZINC000040421900 IH Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2c(O)ccc3c2OCO3)c1 ZINC000040421962 IH Annotated Bother CCOC(=O)C1CCN(c2ncnc(Oc3ccc(C(=O)CC)cc3)c2[N+](=O)[O-])CC1 ZINC000040422019 IH Annotated Bother CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2cccc(C#N)c2)[nH]1 ZINC000040423072 IH Annotated Mild CO[C@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000040423131 IH Annotated Anodyne CO[C@]1(O)C(=O)c2ccccc2O[C@@]1(OC)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000040423132 IH Annotated Anodyne COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2ccc(F)c(F)c2)cc1OC ZINC000040423648 IH Annotated Anodyne COCCCn1c(NC(=O)c2ccncc2)nc2cc(CN(C)C3CCCCC3)ccc21 ZINC000040423901 IH Annotated Anodyne O=c1c(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nnn[nH]2)coc2ccc(Br)cc12 ZINC000040424522 IH Annotated Bother Cc1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)(O)O)P(=O)(O)O)cc1 ZINC000040424534 IH Annotated Anodyne COc1cc2c(CNCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040429177 IH Annotated Bother C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000040429504 IH Annotated Anodyne CCOC(=O)[C@H](O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C ZINC000040429936 IH Annotated Clean CCOC(=O)[C@@H](O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C ZINC000040429938 IH Annotated Clean C[C@H]1[C@@H]2CN(C(=O)c3cc4cc(OCCN(C)C)ccc4[nH]3)C3=CC(=O)c4ccccc4[C@@]312 ZINC000040430382 IH Annotated Mild COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccc(C)c2)C(C)(C)C)cc1OC ZINC000040431069 IH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccc(C)c2)C(C)(C)C)cc1OC ZINC000040431071 IH Annotated Mild CC(C)=CCS[C@@H]1C=C(O)n2c(nc3c2C(=O)N(C)CN3C)N1Cc1ccccc1 ZINC000040466430 IH Annotated Anodyne CC(C)=CCS[C@H]1C=C(O)n2c(nc3c2C(=O)N(C)CN3C)N1Cc1ccccc1 ZINC000040466432 IH Annotated Anodyne NC(=O)/C=C/c1ccc(NC(=O)/C=C2\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 ZINC000040488557 IH Annotated Anodyne NC(=O)/C=C/c1ccc(NC(=O)/C=C2\C[C@@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 ZINC000040488558 IH Annotated Anodyne Cc1ccc(N(/C=N/c2ccn([C@H]3CS[C@H](CO)O3)c(=O)n2)c2ccc(C)cc2)cc1 ZINC000040505309 IH Annotated Mild Cc1ccc(N(/C=N/c2ccn([C@@H]3CS[C@@H](CO)O3)c(=O)n2)c2ccc(C)cc2)cc1 ZINC000040505312 IH Annotated Mild Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)s1 ZINC000040526525 IH Annotated Anodyne CN(CC1OCCO1)[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1 ZINC000040533121 IH Annotated Anodyne CN(CC1OCCO1)[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1 ZINC000040533123 IH Annotated Anodyne O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccccc3)C[C@](O)(c3ccc4c(c3)OCO4)[C@@H]12 ZINC000040556777 IH Annotated Anodyne COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000040564911 IH Annotated Anodyne COc1cc(Cc2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc(OC)c1OC ZINC000040564974 IH Annotated Bother C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N1CCOCC1 ZINC000040565020 IH Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000040565219 IH Annotated Bother N#Cc1ccc(OC[C@H]2CN(c3ccc(-n4cc5cccnc5c4)c(F)c3)C(=O)O2)nc1 ZINC000040567193 IH Annotated Mild COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)O2)cc(OC)c1OC ZINC000040568046 IH Annotated Bother COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)O2)cc(OC)c1OC ZINC000040568048 IH Annotated Bother O=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2F)c(OC(F)(F)F)c1 ZINC000040576210 IH Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](OC(C)=O)C2)cc1F ZINC000040584218 IH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](OC(C)=O)C2)cc1F ZINC000040584220 IH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](O)C2)cc1OC(C)C ZINC000040584573 IH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@H](OC(C)=O)C2)cc1 ZINC000040584848 IH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@@H](OC(C)=O)C2)cc1 ZINC000040584850 IH Annotated Mild CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000040585286 IH Annotated Bother CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000040585288 IH Annotated Bother COc1ccc(C[C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(Br)c1OC ZINC000040592642 IH Annotated Reactive COc1ccc(C[C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(Br)c1OC ZINC000040592646 IH Annotated Reactive CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000040614064 IH Annotated Reactive CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000040614066 IH Annotated Reactive COc1cc(NC(=O)c2cc(OCCCN(C)C)nn2Cc2ccccc2)cc(OC)c1 ZINC000040631310 IH Annotated Anodyne C[C@@H]1CC/C(=N/Nc2ccc(Br)cc2Cl)c2ncc(C(=O)O)c(=O)n21 ZINC000040641395 IH Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(Br)cc2Cl)c2ncc(C(=O)O)c(=O)n21 ZINC000040641400 IH Annotated Mild CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)COC[C@H]3[C@H]2c2ccccc2)CC1 ZINC000040646448 IH Annotated Anodyne O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@H](O)C[C@H]2C1 ZINC000040656157 IH Annotated Anodyne C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 ZINC000040676427 IH Annotated Clean C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 ZINC000040676429 IH Annotated Clean C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 ZINC000040676431 IH Annotated Clean C[C@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1)[C@@H](C)O ZINC000040676433 IH Annotated Clean CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000040753069 IH Annotated Bother CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000040753072 IH Annotated Bother C=CCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@H](O)C2)ccc1OC ZINC000040753918 IH Annotated Mild C=CCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@@H](O)C2)ccc1OC ZINC000040753921 IH Annotated Mild CCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccc(Br)cc3[C@]3(O)CCO[C@H]23)C1=O ZINC000040762645 IH Annotated Mild CO/N=C1/C(c2c(O)n(C)c3c(I)cccc23)=Nc2ccccc21 ZINC000040762729 IH Annotated Mild COc1nc2ccccc2nc1C(=O)Nc1cc(CN2CCCC2)c(O)c(N2CCCC2)c1 ZINC000040764022 IH Annotated Clean CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2cccc(C#N)c2)C3=O)C(=O)O1 ZINC000040767108 IH Annotated Mild COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2nccnc32)cc(Br)c1OC ZINC000040767255 IH Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2nccnc32)cc(Br)c1OC ZINC000040767258 IH Annotated Reactive O=C1C[C@H](Cc2ccccc2C(F)(F)F)C(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000040786178 IH Annotated Mild COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ncn2C)cc(Br)c1OC ZINC000040789570 IH Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ncn2C)cc(Br)c1OC ZINC000040789572 IH Annotated Reactive COC(=O)[C@@H]1Cc2ccc(OCCc3nc(-c4ccc(F)cc4)oc3C)cc2OC1=O ZINC000040828081 IH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccccc1OC ZINC000040833669 IH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)COc1ccccc1OC ZINC000040833671 IH Annotated Anodyne CCNC(=O)O/N=C(/N)CCCCCCCCCCCCC(=N)NOC(=O)NCC ZINC000040833741 IH Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccco4)cc3)c(F)c2)C(=O)O1 ZINC000040835681 IH Annotated Anodyne NC(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000040845815 IH Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000040847004 IH Annotated Anodyne CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5nonc5c4)c3n2)CC1 ZINC000040847583 IH Annotated Anodyne COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(F)c1 ZINC000040848094 IH Annotated Anodyne N#Cc1ccc2c(c1)c(O)nn2C(=O)c1cc2cccc(S(=O)(=O)c3ccccc3)c2[nH]1 ZINC000040860235 IH Annotated Mild CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccccc4[N+](=O)[O-])c3n2)CC1 ZINC000040863351 IH Annotated Bother CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccc(/C=N/Nc4ccccn4)cc3oc2c1 ZINC000040863843 IH Annotated Mild O=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000040864674 IH Annotated Bother Nn1c(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2sc(-c3ccccc3)cc2c1=O ZINC000040864822 IH Annotated Bother O=C(c1cccc(Cl)c1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000040865539 IH Annotated Bother O=C(c1ccc(Cl)cc1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000040865541 IH Annotated Bother CC#CCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000040866113 IH Annotated Mild C=C(CCC[C@H](O)C[C@@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C/[C@H](O)CCCC(=O)O1 ZINC000040867101 IH Annotated Mild C=C(CCC[C@@H](O)C[C@@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C/[C@H](O)CCCC(=O)O1 ZINC000040867103 IH Annotated Mild C=C(CCC[C@H](O)C[C@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C/[C@H](O)CCCC(=O)O1 ZINC000040867105 IH Annotated Mild C=C(CCC[C@@H](O)C[C@H](C)O)C[C@H]1CC(=C)C[C@@H](O)C/C(C)=C/[C@H](O)CCCC(=O)O1 ZINC000040867107 IH Annotated Mild NS(=O)(=O)c1ccc([N+]2=NC(C(F)(F)F)=C/C2=C2/C=CN(C(F)F)C(O)=C2)cc1 ZINC000040873113 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccc(OC)cc1 ZINC000040873182 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 ZINC000040873184 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccc(OC)cc1 ZINC000040873186 IH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 ZINC000040873187 IH Annotated Anodyne O=C(c1ccc(Cl)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000040874046 IH Annotated Bother Cn1c(Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)n[nH]c1=O ZINC000040875960 IH Annotated Mild CCOC(=O)c1c(NCCOC)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040876980 IH Annotated Anodyne CCOC(=O)c1c(NCCN(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040878885 IH Annotated Anodyne C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)c(F)c2)n1)c1ccc2ccccc2c1 ZINC000040891614 IH Annotated Anodyne C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@@H](N)C(=O)O)c(F)c2)n1)c1ccc2ccccc2c1 ZINC000040891615 IH Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H](O)[C@@]12Cc1c(O)c(O)cc(C=O)c1O2 ZINC000040891671 IH Annotated Clean CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5c(c4)CC(=O)N5)c3n2)CC1 ZINC000040895162 IH Annotated Anodyne CCN1C2=C(C(=O)OC2)[C@](C)(c2cc(OC)cc(OC)c2)c2cc(OC)c(OC)cc21 ZINC000040898459 IH Annotated Anodyne CCN1C2=C(C(=O)OC2)[C@@](C)(c2cc(OC)cc(OC)c2)c2cc(OC)c(OC)cc21 ZINC000040898462 IH Annotated Anodyne Cc1cc(C)n(C(=O)CO[C@@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1 ZINC000040899028 IH Annotated Anodyne Cc1cc(C)n(C(=O)CO[C@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1 ZINC000040899031 IH Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O)c2O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040915743 IH Annotated Anodyne CC(=O)c1cc(OCc2ccc(C(F)(F)F)cc2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040916759 IH Annotated Anodyne COc1cc(CCN2c3ccccc3OS(=O)(=O)c3cccnc32)cc(OC)c1OC ZINC000040916946 IH Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)C3=C([C@@]4(C)CCCC(C)(C)C4)C[C@@H](OC(C)=O)[C@@H]1[C@H]32 ZINC000040917286 IH Annotated Anodyne O=C([C@@H]1CCc2c(Cl)cc(OCc3cc(F)cc(F)c3F)c(=O)n21)N1CCCC1 ZINC000040917785 IH Annotated Anodyne C=CCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OCc1cccc2ccccc12 ZINC000040918007 IH Annotated Mild C=CCOC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OCc1cccc2ccccc12 ZINC000040918008 IH Annotated Mild CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000040918974 IH Annotated Anodyne CC(C)[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040918975 IH Annotated Anodyne CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040918976 IH Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(OC)cc3)nn2)O1 ZINC000040919058 IH Annotated Mild COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 ZINC000040919109 IH Annotated Anodyne C=C(C)[C@@H](O)CC[C@@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000040919198 IH Annotated Mild C=C(C)[C@H](O)CC[C@@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000040919199 IH Annotated Mild in-vitro biogenic Oc1ccc(C(c2ccc(O)c(Br)c2)n2cncn2)cc1Br ZINC000040933414 IH Annotated Anodyne Cc1oc(-c2ccccc2Br)nc1C(=O)N(CC(=O)O)Cc1ccccn1 ZINC000040936293 IH Annotated Anodyne CCCC[C@@H](COS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000040936401 IH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccccc3)nn2)O1 ZINC000040936552 IH Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](c3ccoc3)C[C@@H]3O[C@@]321 ZINC000040937181 IH Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)COS3(=O)=O)c1 ZINC000040938178 IH Annotated Mild COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)COS3(=O)=O)c1 ZINC000040938180 IH Annotated Mild Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4[N+](=O)[O-])C3=O)c2)c1 ZINC000040938544 IH Annotated Clean O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc2nc[nH]c2c1 ZINC000040940526 IH Annotated Anodyne CCC[C@@H](/C=C/C=C/C=C/C#CC#CCCCOCOCCOC)OCOCCOC ZINC000040943340 IH Annotated Mild CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCOCOCCOC)OCOCCOC ZINC000040943342 IH Annotated Mild CCN(CC)c1nc(C)cc(NCCNC(=S)Nc2cccc(Br)c2)n1 ZINC000040943698 IH Annotated Anodyne O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc2cn[nH]c2c1 ZINC000040949507 IH Annotated Anodyne Cc1cc(C)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1C ZINC000040949553 IH Annotated Bother CC(=O)N1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000040949897 IH Annotated Anodyne COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3COC[C@H]32)cc(OC)c1OC ZINC000040951882 IH Annotated Anodyne O=C(Cn1cc(-c2nc(Cc3ccccc3Cl)no2)c2ccccc21)N1CCOCC1 ZINC000040953884 IH Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000040954597 IH Annotated Mild in-vitro O=C(NCc1cccc(-c2cccc(CN3C[C@@H]4C[C@H]3CN4)c2)c1)c1ccc2c(c1)OCO2 ZINC000040954763 IH Annotated Anodyne CCCCOc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000040954895 IH Annotated Anodyne CCN(CC)C(=O)c1c(Cl)c2cccnc2n2c(C(=O)N(C(C)C)C(C)C)nnc12 ZINC000040955935 IH Annotated Anodyne COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2ccc(C)cc2)C(C)(C)C)cc1OC ZINC000040955938 IH Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2ccc(C)cc2)C(C)(C)C)cc1OC ZINC000040955941 IH Annotated Mild COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 ZINC000040956246 IH Annotated Anodyne CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(=C/CS(=O)(=O)CCNC(=N)N)CO ZINC000040980925 IH Annotated Anodyne C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@]34C=CC(=O)O[C@@H]3O4)C[C@H]3O[C@@]312 ZINC000042851498 IH Annotated Anodyne CSC1=CC(=O)C(Br)=C[C@]12CCNC1=C2c2nccc3cn(C)c(c23)C1=O ZINC000042875978 IH Annotated Mild CC(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 ZINC000042876912 IH Annotated Anodyne CSC1=CC(=O)C(Br)=C[C@]12C=CNC1=C2c2nccc3cn(C)c(c23)C1=O ZINC000042877132 IH Annotated Mild COc1cc2c(cc1O)C[C@@H]1c3cc(O)c(O)cc3C[C@H]3c4cc(O)c(O)cc4CC[N+]231 ZINC000042878861 IH Annotated Clean CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@]56C=CC(=O)O[C@@H]5O6)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000042889091 IH Annotated Anodyne c1ccc2c(c1)OCCc1c-2n(CCc2nnn(CCN3CCCC3)n2)c2ccccc12 ZINC000042892044 IH Annotated Anodyne CCCCCCCCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000042922553 IH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OC(=O)CC)c2ccc(Cl)cc2)cc1OC ZINC000042964644 IH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OC(=O)CC)c2ccc(Cl)cc2)cc1OC ZINC000042964647 IH Annotated Mild CC1(C)CC(CCC(=O)ONP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1O ZINC000043010043 IH Annotated Reactive COc1ccccc1COC(=O)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 ZINC000043011299 IH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2O)s1 ZINC000043013406 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2O)s1 ZINC000043013408 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2O)s1 ZINC000043013410 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2O)s1 ZINC000043013412 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(O)cc2)s1 ZINC000043014025 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(O)cc2)s1 ZINC000043014028 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(O)cc2)s1 ZINC000043014031 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(O)cc2)s1 ZINC000043014035 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(O)c2)s1 ZINC000043014976 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(O)c2)s1 ZINC000043014979 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(O)c2)s1 ZINC000043014982 IH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(O)c2)s1 ZINC000043014984 IH Annotated Reactive CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(C4CCCC4)CC3)oc(=O)c12 ZINC000043015126 IH Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)c(F)c1)Nc1cccc2c1CCN(C(=O)[C@@H]1CCCN1)C2 ZINC000043016846 IH Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)c(F)c1)Nc1cccc2c1CCN(C(=O)[C@H]1CCCN1)C2 ZINC000043016849 IH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000043019795 IH Annotated Anodyne NC(=O)c1ccc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3ccccc32)cc1 ZINC000043021446 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000043021564 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000043021566 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000043021568 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000043021570 IH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OC3CCOCC3)c3ccccc32)nc2ccccc21 ZINC000043021755 IH Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2OC)n2c1Cc1ccccc1-2 ZINC000043021977 IH Annotated Anodyne C#CCOc1ccc(CCNC(=O)[C@H](OC(=O)OC)c2ccc(Cl)cc2)cc1OC ZINC000043024279 IH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OC(=O)OC)c2ccc(Cl)cc2)cc1OC ZINC000043024282 IH Annotated Mild COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043024868 IH Annotated Reactive COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043024871 IH Annotated Reactive COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043024875 IH Annotated Reactive COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043024878 IH Annotated Reactive C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cnco2)c(Cl)c1 ZINC000043025652 IH Annotated Anodyne COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)CCO5)CC3)c2n1 ZINC000043053451 IH Annotated Clean N#Cc1ccc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3cccnc32)cc1 ZINC000043063462 IH Annotated Mild N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCc1ccc(I)cc1 ZINC000043063816 IH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCCCC#N)c3ccccc32)nc2ccccc21 ZINC000043065877 IH Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 ZINC000043066082 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 ZINC000043066086 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@@H]3CO3)c3oc(=O)c(C(C)(C)[C@@H]4CO4)cc13)OC(C)(C)[C@H]1O[C@@H]21 ZINC000043066474 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@@H]3CO3)c3oc(=O)c(C(C)(C)[C@@H]4CO4)cc13)OC(C)(C)[C@@H]1O[C@H]21 ZINC000043066478 IH Annotated Anodyne C#CCCCO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043067977 IH Annotated Mild N#CCCCn1c(CN2C(=O)/C(=N/OCC(F)(F)F)c3cccnc32)nc2ccccc21 ZINC000043068841 IH Annotated Mild CN(CCO)c1ccc2c3c(cccc13)C(=O)N(c1cccc(Br)c1)C2=O ZINC000043069948 IH Annotated Anodyne O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1 ZINC000043072351 IH Annotated Anodyne CC(C)NC(=N)c1cc(OCCCCCOc2ccnc(C(=N)NC(C)C)c2)ccn1 ZINC000043072651 IH Annotated Anodyne CN(C)C(=O)CNc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O ZINC000043073173 IH Annotated Anodyne O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1ccccn1 ZINC000043074653 IH Annotated Anodyne CC(C)NC(=N)c1ccc(OCCCCCOc2ccc(C(=N)NC(C)C)cn2)nc1 ZINC000043075523 IH Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1Cc1ccccc1-2 ZINC000043076907 IH Annotated Anodyne COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OS(C)(=O)=O)OC(C)(C)CC4)cc1 ZINC000043077928 IH Annotated Anodyne O=C(c1ccccc1)c1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br ZINC000043078267 IH Annotated Anodyne CC(C)NC(=N)c1ccc(OCCCCCOc2ccc(C(=N)NC(C)C)nc2)cn1 ZINC000043079257 IH Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3O)cc2)o1 ZINC000043103786 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000043118343 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000043118348 IH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCC(F)(F)F)c3ccccc32)nc2ccccc21 ZINC000043119936 IH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#CC)c2ccc(Cl)cc2)cc1OC ZINC000043120144 IH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#CC)c2ccc(Cl)cc2)cc1OC ZINC000043120145 IH Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OC[C@@H]3CCCO3)c3ccccc32)nc2ccccc21 ZINC000043120197 IH Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OC[C@H]3CCCO3)c3ccccc32)nc2ccccc21 ZINC000043120198 IH Annotated Mild COc1ccccc1CCn1c(-c2ncccc2O)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043120229 IH Annotated Anodyne O=C(c1ccccc1)c1c(C(=O)N2CCNCC2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000043120278 IH Annotated Anodyne CC1(C)OC(=O)c2ccccc2-c2c(nc3ccccc3[n+]2[O-])C(=O)C[C@H]1Br ZINC000043120630 IH Annotated Reactive CC1(C)OC(=O)c2ccccc2-c2c(nc3ccccc3[n+]2[O-])C(=O)C[C@@H]1Br ZINC000043120632 IH Annotated Reactive CN1CCC(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000043121389 IH Annotated Anodyne COc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1 ZINC000043122058 IH Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1 ZINC000043122061 IH Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1 ZINC000043122064 IH Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1 ZINC000043122066 IH Annotated Reactive CC[C@@H](C)[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043123079 IH Annotated Reactive CC[C@H](C)[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043123081 IH Annotated Reactive Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2cnccc12 ZINC000043129905 IH Annotated Anodyne CC[C@H](C)[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(OCCn3cccn3)cc(C#N)c21 ZINC000043131756 IH Annotated Mild CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccsc5)cc43)cc2)CC1 ZINC000043169688 IH Annotated Anodyne C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@@H](O[C@@H](C)CC)C(=O)/C=C(/C)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000043177708 IH Annotated Mild COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043200787 IH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043200788 IH Annotated Anodyne CCC[C@@H](CC(=O)O)n1c(=O)n(Cc2cc(Cl)cc3c2CC(=O)N3)c2ccccc21 ZINC000043201287 IH Annotated Anodyne CCC[C@H](CC(=O)O)n1c(=O)n(Cc2cc(Cl)cc3c2CC(=O)N3)c2ccccc21 ZINC000043201288 IH Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)ccn1 ZINC000043202982 IH Annotated Anodyne Cc1cc([C@]2(c3ccc(F)c(OCC(F)F)c3)NC(=N)N(C)C2=O)ccc1OC(F)F ZINC000043204080 IH Annotated Anodyne CC(C)[C@]12C[C@H](OC(=O)CO)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000043205517 IH Annotated Anodyne Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N[C@@H](C4CC4)C(F)(F)F)c23)cn1 ZINC000043205751 IH Annotated Anodyne Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N[C@H](C4CC4)C(F)(F)F)c23)cn1 ZINC000043205752 IH Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1 ZINC000043206828 IH Annotated Anodyne CN1[C@H]2C[C@H](CO)[C@@H]1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12 ZINC000043207428 IH Annotated Anodyne COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@]23[C@@H](OC)O4)cc1 ZINC000043327988 IH Annotated Reactive COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 ZINC000043327989 IH Annotated Reactive CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4ccc(C)cc4)[C@@]13OO2 ZINC000043328049 IH Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4ccc(C)cc4)[C@]13OO2 ZINC000043328050 IH Annotated Reactive CCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000043382066 IH Annotated Mild CCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000043382068 IH Annotated Mild CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000043523796 IH Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000043523799 IH Annotated Reactive NS(=O)(=O)c1ccc(NC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 ZINC000043574596 IH Annotated Reactive CCCCCCCCCC[C@H](O)CNC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043574767 IH Annotated Mild CCCCCCCCCC[C@@H](O)CNC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043574769 IH Annotated Mild COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2 ZINC000044075095 IH Annotated Anodyne in-man endogenous NS(=O)(=O)c1ccc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 ZINC000044093753 IH Annotated Reactive CCCCCCCCCCN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000044157118 IH Annotated Mild CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000044221845 IH Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000044221850 IH Annotated Reactive C[C@]1(O)CC[C@@H]2[C@]34CCC[C@](C)(C(=O)OC3)[C@@H]4CC[C@@]2(C)[C@@H]1CC1=CC(=O)C=CC1=O ZINC000044280178 IH Annotated Mild C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@]34C=CC(=O)O[C@H]3O4)C[C@H]3O[C@@]312 ZINC000044358741 IH Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3C4=CCC5=CC(=O)[C@@H](O)C[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000044359742 IH Annotated Anodyne CC1=C([C@H](C)[C@@H](C)OC=O)C(=O)C2=C(C1=O)[C@@H]1O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c31)O2 ZINC000044405555 IH Annotated Mild CC[C@H](C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]1C[C@@H](O)[C@H](C(=O)O)O1 ZINC000044405558 IH Annotated Mild in-vivo C=C1C(=O)C=C[C@]2(C)[C@@H]1C=C1CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000044430960 IH Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004546229 IH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004546235 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004546240 IH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004546246 IH Annotated Anodyne O=C(NC1CCCCCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000004576199 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004612099 IH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004612100 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004612101 IH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004612102 IH Annotated Anodyne CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cc(Cl)ccc2C)CC1 ZINC000004709057 IH Annotated Anodyne COc1cccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000004733217 IH Annotated Anodyne COc1cccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000004733218 IH Annotated Anodyne COc1cccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000004733220 IH Annotated Anodyne COc1cccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000004733222 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)Cc1ccccc1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733300 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)Cc1ccccc1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733305 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)Cc1ccccc1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733307 IH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)Cc1ccccc1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733310 IH Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)NC[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757163 IH Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)NC[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757164 IH Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757165 IH Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757166 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccc(C)cc3)c21 ZINC000004758062 IH Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000004758613 IH Annotated Anodyne CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000004758667 IH Annotated Anodyne CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000004758669 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCC[C@@H](C)C1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760078 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCC[C@H](C)C1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760079 IH Annotated Anodyne O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000004790604 IH Annotated Anodyne O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000004790608 IH Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792836 IH Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792839 IH Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004792843 IH Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004792846 IH Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792865 IH Annotated Anodyne CCCCN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793725 IH Annotated Anodyne CCCCN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793728 IH Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)(C)O)n2)n1)OC ZINC000004804562 IH Annotated Anodyne Cc1cc(NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)no1 ZINC000004861433 IH Annotated Anodyne CC1CCC2(CC1)N=C(N)N=C(N)N2OCc1ccc(Br)c2ccccc12 ZINC000045166998 IH Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)C[C@@H]3CCCC3=O)cc2)nc1 ZINC000045167034 IH Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)C[C@H]3CCCC3=O)cc2)nc1 ZINC000045167036 IH Annotated Anodyne O=C(NC1CCC(N2CCN(c3cccc4[nH]ccc34)CC2)CC1)c1cc2cccnc2[nH]1 ZINC000045167320 IH Annotated Anodyne COc1cc2nc(NCCc3ccccc3)nc(NCc3cnn(C)c3C)c2cc1OC ZINC000045167888 IH Annotated Anodyne CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)O)cc1 ZINC000045168119 IH Annotated Anodyne CCCc1ccc(C(=O)N2[C@@H](c3nccs3)[C@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)O)cc1 ZINC000045168121 IH Annotated Anodyne CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)O)cc1 ZINC000045168123 IH Annotated Anodyne CCCc1ccc(C(=O)N2[C@@H](c3nccs3)[C@@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)O)cc1 ZINC000045168125 IH Annotated Anodyne CS(=O)(=O)NCCCNCc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045168183 IH Annotated Anodyne Cc1cc(NCCC(=O)NCc2cccc(F)c2)nc(NCCc2ccc(F)cc2)n1 ZINC000045168941 IH Annotated Anodyne CC(=O)/N=C1\N=C(/N=C(/C)O)NC(C)(C)N1OCCCOc1ccc(Cl)c(Cl)c1 ZINC000045169014 IH Annotated Mild CCOC(=O)c1cn(CC)c2cc(O[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc2c1=O ZINC000045169174 IH Annotated Anodyne CNC(=O)[C@@H]1Cc2c([nH]c3ccc(Cl)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045186662 IH Annotated Anodyne CNC(=O)[C@H]1Cc2c([nH]c3ccc(Cl)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045186665 IH Annotated Anodyne CC(C)CN(C)c1ncnc2c1nc(-c1cncc(C#N)c1)n2CCNCc1ccccc1 ZINC000045187814 IH Annotated Mild CNCCNC(=O)[C@H]1Cc2c([nH]c3c(C)cccc23)[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000045189537 IH Annotated Anodyne CNCCNC(=O)[C@@H]1Cc2c([nH]c3c(C)cccc23)[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000045189540 IH Annotated Anodyne CNCCNC(=O)[C@H]1Cc2c([nH]c3c(C)cccc23)[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000045189543 IH Annotated Anodyne CNCCNC(=O)[C@@H]1Cc2c([nH]c3c(C)cccc23)[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000045189546 IH Annotated Anodyne COc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000045189801 IH Annotated Anodyne CCc1sc(N2CCN(C)CC2)nc1C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000045193125 IH Annotated Anodyne COc1cc2c(cc1OC)C(C)(C)CN1Cc3c(c(CO)c(OC)c(OC)c3OC)C[C@H]21 ZINC000045193251 IH Annotated Anodyne COc1cc2c(cc1OC)C(C)(C)CN1Cc3c(c(CO)c(OC)c(OC)c3OC)C[C@@H]21 ZINC000045193254 IH Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(N)c3)c3cc(Br)cnc32)cc1 ZINC000045201548 IH Annotated Anodyne Cc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cncn3Cc3ccc(F)cc3)cc2n1 ZINC000045201827 IH Annotated Anodyne CS(=O)(=O)NCCCNCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045202052 IH Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc3oc(C(N)=O)c(NC(=O)c4cccs4)c3c2)c1 ZINC000045202105 IH Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3cnc(C)cn3)cc2)nc1 ZINC000045202215 IH Annotated Anodyne COC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)C(OC)=C2Cl)cc1C(C)=O ZINC000045211426 IH Annotated Clean COC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)C(OC)=C2Cl)cc1C(C)=O ZINC000045211430 IH Annotated Clean CN(C)C[C@H]1CCCN1Cc1ccccc1-c1cnn(C)c(=O)c1Oc1ccc(F)cc1 ZINC000045228303 IH Annotated Anodyne CN(C)C[C@@H]1CCCN1Cc1ccccc1-c1cnn(C)c(=O)c1Oc1ccc(F)cc1 ZINC000045228306 IH Annotated Anodyne CN(C)C[C@H]1CCCN1Cc1ccccc1-c1cnn(C)c(=O)c1Oc1ccccc1F ZINC000045228452 IH Annotated Anodyne CN(C)C[C@@H]1CCCN1Cc1ccccc1-c1cnn(C)c(=O)c1Oc1ccccc1F ZINC000045228454 IH Annotated Anodyne COc1ccc2nccc([C@@H](O)CNCCCN(C)CCOc3cc(F)cc(F)c3)c2c1 ZINC000045229686 IH Annotated Anodyne Nc1ncc(-c2ccc(C(=O)NC[C@@H]3CCCNC3)cc2)nc1Oc1ccc2cc[nH]c2c1 ZINC000045244919 IH Annotated Anodyne Nc1ncc(-c2ccc(C(=O)NC[C@H]3CCCNC3)cc2)nc1Oc1ccc2cc[nH]c2c1 ZINC000045244920 IH Annotated Anodyne CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OC1CCN(C)CC1 ZINC000045245034 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cc(C(F)(F)F)ccn3)s1)C2 ZINC000045245212 IH Annotated Bother O=C(Nc1ccc(Cl)cc1)c1c2c(c3n1CCC3)c(=O)nc1n2C(=O)c2ccccc2-1 ZINC000045245300 IH Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(C)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045245321 IH Annotated Anodyne O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4C[C@@H]3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 ZINC000045245344 IH Annotated Anodyne CCCc1[nH]c(=O)c(-c2csc(CS(=O)(=O)c3ccccc3)n2)cc1C(=O)OCC ZINC000045245380 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)s1)C2 ZINC000045245436 IH Annotated Bother O=C1Cc2c(ccc3c2OC[C@H](CNCC[C@@H]2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 ZINC000045245558 IH Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNCC[C@H]2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 ZINC000045245559 IH Annotated Anodyne COC(=O)[C@@H](NC(=O)c1cc(COc2cccc3sc(C)nc23)on1)c1ccccc1 ZINC000045245957 IH Annotated Anodyne COc1cnc2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1 ZINC000045246037 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1csc(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC000045253071 IH Annotated Bother Cc1cc(C)cc(Oc2c(-n3ccnc3C#N)c(C)[nH]c(=O)c2I)c1 ZINC000045253249 IH Annotated Mild CC(C)(C)[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045254203 IH Annotated Anodyne CC(C)(C)[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045254205 IH Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNCC[C@H]2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 ZINC000045254393 IH Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNCC[C@@H]2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 ZINC000045254395 IH Annotated Anodyne CSc1nn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2nc(C)[nH]c(=O)c12 ZINC000045255106 IH Annotated Anodyne CCN(CC)C(=O)c1c(N2CCN(Cc3ccccc3)CC2)c2cccnc2n2ccnc12 ZINC000045255252 IH Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](C)(CC3CCCCC3)C2=O)cc1 ZINC000045258606 IH Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@@](C)(CC3CCCCC3)C2=O)cc1 ZINC000045258610 IH Annotated Anodyne CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCCN1CCCC1 ZINC000045258968 IH Annotated Anodyne CC(C)(C)[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045260544 IH Annotated Anodyne CC(C)(C)[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045260547 IH Annotated Anodyne CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3c(c2)no[n+]3[O-])cc1 ZINC000045261692 IH Annotated Anodyne CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3c(c2)no[n+]3[O-])cc1 ZINC000045261697 IH Annotated Anodyne C=C(C)CNC(=N)NCCCCCCCCN1CCCCCCCCN/C(N)=N/C1=O ZINC000045283897 IH Annotated Mild O=C1Nc2ccc(-c3ccn[nH]3)cc2[C@@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 ZINC000045283939 IH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC1CCC(C)CC1 ZINC000045285647 IH Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(Br)cc2)N=C(c2ccccc2)N2CCN=C12 ZINC000045285929 IH Annotated Anodyne CC(C)C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045287664 IH Annotated Anodyne CC(C)C[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045287666 IH Annotated Anodyne Cc1ccc(-c2nc3c(Br)cc4c(c3[nH]2)C(=O)NC(=O)C4(C)C)cc1[N+](=O)[O-] ZINC000045287688 IH Annotated Bother CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCCC1CCCC1 ZINC000045290284 IH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC1CCCCCC1 ZINC000045290816 IH Annotated Anodyne CN1CC[C@H](C2=CCc3ccc(NS(=O)(=O)c4c(Cl)nc5sccn45)cc32)C1 ZINC000045291164 IH Annotated Anodyne CN1CC[C@@H](C2=CCc3ccc(NS(=O)(=O)c4c(Cl)nc5sccn45)cc32)C1 ZINC000045291167 IH Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cccn3)c(C)[nH]c(=O)c2I)c1 ZINC000045291530 IH Annotated Anodyne Cc1nsc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1 ZINC000045298868 IH Annotated Anodyne CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 ZINC000045300143 IH Annotated Anodyne Nc1nc2c(-c3[nH]c(Br)c(Br)c3Br)nccc2[nH]1 ZINC000045300457 IH Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(Cc3cnc(C)cn3)C(=O)CC#N)cc2)nc1 ZINC000045301766 IH Annotated Mild O=C1OC2(CCN(Cc3cccc(-c4ncc[nH]4)c3)CC2)CN1CCNCc1ccccc1 ZINC000045302022 IH Annotated Anodyne Cc1ccc2c(c1)[C@]1(CC(=O)N(CCc3scnc3C)C1=O)C(=O)N2Cc1ccccc1 ZINC000045302077 IH Annotated Anodyne CSC(=S)[C@@H](C#N)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000045302771 IH Annotated Mild CSC(=S)[C@H](C#N)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000045302772 IH Annotated Mild CSC(=S)[C@@H](C#N)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000045302773 IH Annotated Mild CSC(=S)[C@H](C#N)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000045302774 IH Annotated Mild O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1F)c1cc2ccccc2s1 ZINC000045314889 IH Annotated Anodyne CC(C)C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045316637 IH Annotated Anodyne CC(C)C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045316642 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1csc(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000045317223 IH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@@H]2C2CC2)cc1 ZINC000045318441 IH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@H]2C2CC2)cc1 ZINC000045318445 IH Annotated Bother CC(C)C[C@@]1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C1=O ZINC000045319614 IH Annotated Mild CC(C)C[C@]1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C1=O ZINC000045319618 IH Annotated Mild CNC(=O)[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045321747 IH Annotated Anodyne CNC(=O)[C@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045321750 IH Annotated Anodyne COc1ccc2nccc(NC(=O)N3CCC(NCc4cc5ccccc5[nH]4)CC3)c2n1 ZINC000045322700 IH Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(N2CCC[C@H](CO)C2)nc2ccc(OC)cc12 ZINC000045325150 IH Annotated Anodyne Cc1ccc2c(c1)NC[C@@]21CCN(C[C@@H](O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@@H]1C ZINC000045325201 IH Annotated Mild Cc1ccc2c(c1)NC[C@]21CCN(C[C@@H](O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@@H]1C ZINC000045325204 IH Annotated Mild N#Cc1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1 ZINC000045337680 IH Annotated Mild COc1cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc(OC)c1OC ZINC000045339928 IH Annotated Anodyne O=C(NCCF)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3sccc3n2)cc1 ZINC000045340347 IH Annotated Anodyne COc1cccc2c1OC[C@H](Cc1ccc(O)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000045350457 IH Annotated Anodyne CCOc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 ZINC000045356003 IH Annotated Anodyne N#Cc1ccc(C(=O)CN2C(C(=O)c3ccccc3)=C(O)c3ccccc3S2(=O)=O)cc1 ZINC000045356107 IH Annotated Mild COCc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 ZINC000045357833 IH Annotated Anodyne COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN(C)CCN(C)C)OCO2 ZINC000045364531 IH Annotated Anodyne Nc1nn(-c2cccc(-c3ccc4c(c3)NC(=O)C4)c2)cc1-c1ccc2c(c1)CCNC2=O ZINC000045365674 IH Annotated Anodyne CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC3=C[C@@H]4C[C@@H]5C=CC=C[C@@H]5[C@@H]4C=C3)CS2)cc1 ZINC000045368202 IH Annotated Anodyne CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)NC3=C[C@@H]4C[C@@H]5C=CC=C[C@@H]5[C@@H]4C=C3)CS2)cc1 ZINC000045368205 IH Annotated Anodyne CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC3=C[C@H]4C[C@@H]5C=CC=C[C@@H]5[C@@H]4C=C3)CS2)cc1 ZINC000045368208 IH Annotated Anodyne CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)NC3=C[C@H]4C[C@@H]5C=CC=C[C@@H]5[C@@H]4C=C3)CS2)cc1 ZINC000045368211 IH Annotated Anodyne CCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(N)=C(Cl)C3=O)n1 ZINC000045369975 IH Annotated Mild CC(C)C[C@H](N)C(=O)N1CCn2c(nc(-c3ccccc3)c2Nc2ccc3c(c2)OCO3)C1 ZINC000045369980 IH Annotated Anodyne CC(C)C[C@@H](N)C(=O)N1CCn2c(nc(-c3ccccc3)c2Nc2ccc3c(c2)OCO3)C1 ZINC000045369985 IH Annotated Anodyne CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000045384167 IH Annotated Mild CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000045384170 IH Annotated Mild CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000045384174 IH Annotated Mild CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000045384177 IH Annotated Mild COc1cccc([C@]2(O)c3ccc(C(=O)N4CCN(C)CC4)cc3Oc3ccc(F)cc32)c1 ZINC000045384593 IH Annotated Anodyne COc1cccc([C@@]2(O)c3ccc(C(=O)N4CCN(C)CC4)cc3Oc3ccc(F)cc32)c1 ZINC000045384598 IH Annotated Anodyne O=C1[C@@H](c2ccc(Oc3ccccc3)cc2)N(CCc2ccccn2)C(=O)[C@@H]2CCCN12 ZINC000045386380 IH Annotated Anodyne O=C1[C@H](c2ccc(Oc3ccccc3)cc2)N(CCc2ccccn2)C(=O)[C@@H]2CCCN12 ZINC000045386384 IH Annotated Anodyne COC(=O)c1c(C(=O)OC)c(-c2ccc3c(c2)OCO3)c2c3c(ccc2c1OC)OCO3 ZINC000045388762 IH Annotated Anodyne CN1C(C(=O)c2ccccc2)=C(OCC(=O)c2ccccc2)c2ccccc2S1(=O)=O ZINC000045389392 IH Annotated Mild COc1cc(/C=C2/C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000045391624 IH Annotated Clean CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)cc2F)CC1 ZINC000045495354 IH Annotated Anodyne CCCCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000045496128 IH Annotated Bother COc1cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(Br)c1OC ZINC000045496274 IH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(Br)c1OC ZINC000045496276 IH Annotated Anodyne Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)OC2CCCCC2)cc1 ZINC000045497693 IH Annotated Mild CCCCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000045498527 IH Annotated Bother C=C1CC[C@@H](OC(C)=O)[C@@]2(C)CC[C@H](C[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]1O3)C(=C)C(=O)O2 ZINC000045505719 IH Annotated Mild COc1ccc(CCCC(=O)N[C@@H](N/C(=N/C#N)Nc2cccnc2C)C(C)(C)C)cc1 ZINC000045505813 IH Annotated Mild COc1ccc(CCCC(=O)N[C@H](N/C(=N/C#N)Nc2cccnc2C)C(C)(C)C)cc1 ZINC000045505815 IH Annotated Mild COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccccc5)CC4)cc3n(C)c2c1 ZINC000045506393 IH Annotated Bother CC(=O)Nc1ccc2c(c1)c(=Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1n2C ZINC000469740565 IH Annotated Bother CC(=O)Nc1ccc2c(=Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3n(C)c2c1 ZINC000469740566 IH Annotated Bother O=C(C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000473082043 IH Annotated Anodyne O=C(C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000473082044 IH Annotated Anodyne COc1ccc(-n2ncc3c2CCc2cc(S(=O)(=O)c4ccccc4)c(O)nc2-3)cc1 ZINC000473082490 IH Annotated Anodyne O=C1N(Cc2ccccc2)c2cccn2S(=O)(=O)N1Cc1cccc(Br)c1 ZINC000473082845 IH Annotated Anodyne CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 ZINC000473083624 IH Annotated Mild O=C(Cc1ccc(Br)cc1)NCC1=Cc2ccccc2O[C@@]1(O)C(F)(F)F ZINC000473083958 IH Annotated Anodyne O=C(Cc1ccc(Br)cc1)NCC1=Cc2ccccc2O[C@]1(O)C(F)(F)F ZINC000473083959 IH Annotated Anodyne N#Cc1cccc(CN2C(=O)N(Cc3cccc(Cl)c3)S(=O)(=O)n3cccc32)c1 ZINC000473085971 IH Annotated Mild Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C(=O)N3CCCC3)c3ccccc23)c(O)n1 ZINC000473086002 IH Annotated Anodyne Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)C(=O)N3CCCC3)c3ccccc23)c(O)n1 ZINC000473086003 IH Annotated Anodyne Cc1c(CNC(O)=C2C=CC(=N)C=C2)c(C)[n+]2c(c1CNC(O)=C1C=CC(=N)C=C1)CCC2 ZINC000473086004 IH Annotated Anodyne N#Cc1cccc(CNc2ccc3c(c2)CN2C(=O)CN(C4CCCCC4)C(=O)[C@H]2C3)c1 ZINC000473086272 IH Annotated Mild O=C(Cc1ccccc1)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473086275 IH Annotated Anodyne O=C(Cc1ccccc1)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473086279 IH Annotated Anodyne CCN1C(=S)N2CCC[C@H]2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1 ZINC000473086684 IH Annotated Mild CCN1C(=S)N2CCC[C@@H]2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1 ZINC000473086685 IH Annotated Mild CCN1C(=S)N2CCC[C@H]2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1 ZINC000473086976 IH Annotated Mild CCN1C(=S)N2CCC[C@@H]2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1 ZINC000473086978 IH Annotated Mild O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccc(OC(F)(F)F)cc1 ZINC000473087896 IH Annotated Bother O=C(OCC[C@@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccc(OC(F)(F)F)cc1 ZINC000473087897 IH Annotated Bother O=C(N[C@@H]1c2cc(/N=C/N3CCCC3)ccc2C[C@H]1O)c1ccc(Br)cc1 ZINC000473087996 IH Annotated Mild O=C(O)CCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473089545 IH Annotated Anodyne O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1cccc(OC(F)(F)F)c1 ZINC000473089662 IH Annotated Bother C[C@H]1C(=O)N2Cc3cc(OCc4cccc(C#N)c4)ccc3C[C@@H]2C(=O)N1C1CCCC1 ZINC000473089701 IH Annotated Mild C[C@@H]1C(=O)N2Cc3cc(OCc4cccc(C#N)c4)ccc3C[C@@H]2C(=O)N1C1CCCC1 ZINC000473089705 IH Annotated Mild CC(C)(O)CCC[C@]1(C)Oc2c(O)ccc(CCC(=O)c3ccc(O)cc3O)c2C[C@@H]1O ZINC000473090255 IH Annotated Anodyne CC(C)(O)CCC[C@@]1(C)Oc2c(O)ccc(CCC(=O)c3ccc(O)cc3O)c2C[C@H]1O ZINC000473090256 IH Annotated Anodyne CC(C)(O)CCC[C@]1(C)Oc2c(O)ccc(CCC(=O)c3ccc(O)cc3O)c2C[C@H]1O ZINC000473090257 IH Annotated Anodyne CC(C)(O)CCC[C@@]1(C)Oc2c(O)ccc(CCC(=O)c3ccc(O)cc3O)c2C[C@@H]1O ZINC000473090258 IH Annotated Anodyne O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccccc1OC(F)(F)F ZINC000473090487 IH Annotated Bother Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccccc1C(F)(F)F ZINC000473090960 IH Annotated Clean CN(Cc1ccc(C(C)(C)C)cc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473091515 IH Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(Cl)cc2[C@@]12Cn1nncc1CO2 ZINC000473092120 IH Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(Cl)cc2[C@]12Cn1nncc1CO2 ZINC000473092123 IH Annotated Anodyne CN(Cc1cccc(C#N)c1)c1ccc2c(c1)CN1C(=O)CN(C3CCCCC3)C(=O)[C@H]1C2 ZINC000473093467 IH Annotated Mild CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473098121 IH Annotated Clean N=c1nc(NC2CCS(=O)(=O)CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473099762 IH Annotated Anodyne O=C1OC2(CCCCC2)CN(Cc2cn(Cc3ccccc3)nn2)[C@H]1Cc1ccccc1 ZINC000473105266 IH Annotated Anodyne O=C(NC[C@@H]1CCCN(c2nc3ccccc3o2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473105937 IH Annotated Bother O=C(NC[C@H]1CCCN(c2nc3ccccc3o2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473105938 IH Annotated Bother Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000473107780 IH Annotated Clean Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1C(F)(F)F ZINC000473108725 IH Annotated Clean CC(C)C[C@H]1CN2C(=CC3=NC[C@H](Cc4ccccc4)N3C[C@@H]2Cc2ccc(O)cc2)N1 ZINC000473108775 IH Annotated Anodyne Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1Br ZINC000473109176 IH Annotated Clean CC(=O)N1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1 ZINC000473110391 IH Annotated Clean O=C1Nc2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1ccccc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473110972 IH Annotated Anodyne COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccccc23)n1 ZINC000473111326 IH Annotated Anodyne O=C(NC1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 ZINC000473113288 IH Annotated Reactive CCOC(=O)c1c(C)nc(=NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473117302 IH Annotated Anodyne CCOC(=O)c1c(C)nc(=NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473117306 IH Annotated Anodyne COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)CN1CCC[C@@H]1C3 ZINC000473118026 IH Annotated Bother COC[C@H](C)Oc1cc(C#Cc2cccc(OC(C)C)c2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473120506 IH Annotated Mild COC[C@H](C)Oc1cc(C#CCSC2CCCC2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473120509 IH Annotated Mild O=C(NC1CCC2(CC1)OCC1(CO2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 ZINC000473120812 IH Annotated Clean N=c1[nH]c(-c2ccc3[nH]cc(C(N)=O)c(=Nc4ccc(Br)cc4)c3c2)cs1 ZINC000473123557 IH Annotated Anodyne O=C(NC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 ZINC000473125841 IH Annotated Reactive Nc1cccc2c1C(=O)O[C@@H](C/C=C/NC(=O)C#Cc1ccccc1)C[C@@H](O)CC/C=C/C2 ZINC000473127230 IH Annotated Mild N#Cc1cccc(-c2nnc(Cn3nc(-c4ccccc4)c(-c4ccccc4)nc3=O)o2)c1 ZINC000473127295 IH Annotated Mild Cc1ccccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12 ZINC000473127999 IH Annotated Anodyne O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000473128130 IH Annotated Mild O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cc(O)ccc2C(=O)O1 ZINC000473128323 IH Annotated Mild O=C(Nc1ccc(-c2cnc3ccc(=NCc4cccc(F)c4)[nH]n23)cc1)C1CCOCC1 ZINC000473128503 IH Annotated Anodyne O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]cc3c2)c1F)c1cccc(F)c1 ZINC000473129471 IH Annotated Mild N#Cc1cc(-c2ccc(C(F)(F)F)nc2)ccc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000473130942 IH Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]cc3c2)c1F)c1ccc(F)cc1 ZINC000473131338 IH Annotated Mild CCCn1cc(C(=O)O)c(=O)c2ccc(N=c3ccnc(Nc4ccc(C#N)cc4)[nH]3)cc21 ZINC000473131805 IH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)c(F)c1)C2 ZINC000473133081 IH Annotated Bother CC(C)n1cc(C(=O)O)c(=O)c2ccc(N=c3ccnc(Nc4ccc(C#N)cc4)[nH]3)cc21 ZINC000473133372 IH Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]cc3c2)c1F)c1ccccc1F ZINC000473133408 IH Annotated Mild CC[C@H](C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC(C)(C)[C@H]2CC=C(C)CC2)[C@@H]1OC(C)=O ZINC000473133681 IH Annotated Anodyne Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 ZINC000473133754 IH Annotated Anodyne COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(F)cc3)CCO4)CC2)ccn1 ZINC000473134783 IH Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(N3CCCC3)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135227 IH Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N3CCCC3)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135228 IH Annotated Clean Brc1ccc(CNCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000473135559 IH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](CN2C(=O)c3cccc4cccc(c34)C2=O)ON1C ZINC000473135638 IH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](CN2C(=O)c3cccc4cccc(c34)C2=O)ON1C ZINC000473135639 IH Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@H](OC(C)(C)[C@H]2CC=C(C)CC2)O[C@@H]1C ZINC000473135676 IH Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCN1c2ccccc2CCc2ccccc21 ZINC000473135745 IH Annotated Anodyne CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(C(N)=S)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473135754 IH Annotated Anodyne CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(C(N)=S)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473135755 IH Annotated Anodyne CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(C(N)=S)[C@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473135756 IH Annotated Anodyne CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(C(N)=S)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473135757 IH Annotated Anodyne CC1=C(C(N)=O)[C@H](c2cccc(OC(C)C)c2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135817 IH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2cccc(OC(C)C)c2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135818 IH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@@]45C3=CC(=N)c3ccccc35)cc2c1 ZINC000473135903 IH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@]45C3=CC(=N)c3ccccc35)cc2c1 ZINC000473135904 IH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H]4C[C@]45C3=CC(=N)c3ccccc35)cc2c1 ZINC000473135905 IH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=N)c3ccccc35)cc2c1 ZINC000473135906 IH Annotated Anodyne CC1=C(C(N)=O)[C@H](c2cccc(C(F)(F)F)c2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136024 IH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2cccc(C(F)(F)F)c2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136025 IH Annotated Anodyne Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cc2)C3)ccc2c1COC2=O ZINC000473136382 IH Annotated Mild CC1=C(C(N)=O)[C@H](c2ccccc2C(F)(F)F)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136599 IH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccccc2C(F)(F)F)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136600 IH Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(OC(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136645 IH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(OC(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136646 IH Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(C(F)(F)F)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473137239 IH Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(C(F)(F)F)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473137240 IH Annotated Anodyne CC(=O)OCCCc1cn(CCCCCCCCCCCCOS(C)(=O)=O)nn1 ZINC000473137290 IH Annotated Mild C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)cc1)C(F)(F)F ZINC000473137668 IH Annotated Anodyne C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)cc1)C(F)(F)F ZINC000473137669 IH Annotated Anodyne COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3ccccc3[N+](=O)[O-])cc1)C2=O ZINC000473144831 IH Annotated Mild COc1cn(-c2ccc(N3CCCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O ZINC000473149625 IH Annotated Anodyne COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3cccc([N+](=O)[O-])c3)cc1)C2=O ZINC000473149710 IH Annotated Mild O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC[C@@H]1CO ZINC000473150033 IH Annotated Anodyne O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC[C@H]1CO ZINC000473150176 IH Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000473151244 IH Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000473151245 IH Annotated Anodyne N[C@@H]1CCCC[C@@H]1NC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473151579 IH Annotated Anodyne N[C@H]1CCCC[C@H]1NC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473151580 IH Annotated Anodyne N[C@H]1CCCC[C@@H]1NC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473151581 IH Annotated Anodyne N[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473151582 IH Annotated Anodyne COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000473151810 IH Annotated Mild CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000473151883 IH Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000473151884 IH Annotated Anodyne COc1ccc2c(c1)CCN1O[C@@]3(C[C@@H]21)C(=O)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14O2 ZINC000473151900 IH Annotated Anodyne COc1ccc2c(c1)CCN1O[C@@]3(C[C@H]21)C(=O)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14O2 ZINC000473151904 IH Annotated Anodyne CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@H]21 ZINC000473152384 IH Annotated Anodyne C[C@@H]1CC[C@H]2[C@]3(CC(c4ccc(Cl)cc4)=NO3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000473152440 IH Annotated Reactive CCOC(=O)c1c[nH]c2ccccc2c1=Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473152443 IH Annotated Anodyne COc1ccc(CN2C(=O)[C@H]3[C@@H]([C@H]2C(C)C)[C@H]2CCCN2[C@H]3c2ccc(C(=N)N)cc2)cc1 ZINC000473152910 IH Annotated Anodyne CCN1CCN(CCCNc2ccc(N=c3c(C(=O)O)c[nH]c4ccccc34)cc2)CC1 ZINC000473152937 IH Annotated Anodyne O=C(Nc1ccccc1)c1c(NCCO)cc(-c2cccc(Br)c2)oc1=O ZINC000473153373 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)c1c(NCCO)cc(-c2cccc(Br)c2)oc1=O ZINC000473154386 IH Annotated Anodyne CN1CCN(CCCO[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)CC1 ZINC000473154485 IH Annotated Bother CN1CCN(CCCO[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)CC1 ZINC000473154486 IH Annotated Bother O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC(CO)CC1 ZINC000473154815 IH Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)N[C@H]2CCc3ccccc32)cc1Cl ZINC000473155290 IH Annotated Anodyne COCCCNC(=O)c1sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c2c1C ZINC000473155986 IH Annotated Anodyne O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCC(O)CC1 ZINC000473156146 IH Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)c2ccnn2-c2ccccc2)cc1Cl ZINC000473158392 IH Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(-c2nccs2)cc1 ZINC000473159857 IH Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(-c2csc(C)n2)cc1 ZINC000473160621 IH Annotated Anodyne Cc1ccc(-c2ncccc2C)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)n1 ZINC000473162846 IH Annotated Anodyne COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccc(N)cc4)s3)ccc2c1 ZINC000473164988 IH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc(C#N)nc3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473165329 IH Annotated Mild O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 ZINC000473166228 IH Annotated Reactive CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(Br)cn1)C2 ZINC000473170727 IH Annotated Anodyne CCOc1ncc(Br)cc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 ZINC000473170770 IH Annotated Anodyne CCOc1nccc(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 ZINC000473171417 IH Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 ZINC000473172568 IH Annotated Reactive Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1 ZINC000473179076 IH Annotated Anodyne Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1 ZINC000473179077 IH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@H]4CN(S(C)(=O)=O)C[C@H]4C3)cc12 ZINC000473179286 IH Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@@H]4CN(S(C)(=O)=O)C[C@H]4C3)cc12 ZINC000473179287 IH Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1 ZINC000473179378 IH Annotated Anodyne O=C(c1cccc(F)c1-c1ncco1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179388 IH Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(C(F)(F)F)cn1)C2 ZINC000473179521 IH Annotated Anodyne COc1nc(-c2ccc(F)c(C(C)(C)O)c2)nc(=NCCc2ccc(OC(F)F)cc2)[nH]1 ZINC000473179578 IH 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-c1ncco1 ZINC000473179589 IH Annotated Anodyne COc1nc(-c2cc3cc(F)ccc3[nH]2)nc(=NCCc2ccc(OC(F)F)cc2)[nH]1 ZINC000473179672 IH Annotated Anodyne Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2c(F)cccc2-c2ncccn2)n1 ZINC000473180273 IH Annotated Anodyne Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2c(F)cccc2-c2ncccn2)n1 ZINC000473180274 IH Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2nc(C)cc(C)n2)C3)c1 ZINC000473180516 IH Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cnc(C#N)nc4)cc23)CC1 ZINC000473194364 IH Annotated Mild [C-]#[N+]c1ccc2c(c1)[C@@]1(NC(=N)N(Cc3ncccn3)C1=O)[C@@]1(CC[C@H](OC)[C@H](CC)C1)C2 ZINC000473197989 IH Annotated Anodyne [C-]#[N+]c1ccc2c(c1)[C@]1(NC(=N)N(Cc3ncccn3)C1=O)[C@@]1(CC[C@H](OC)[C@H](CC)C1)C2 ZINC000473197991 IH Annotated Anodyne [C-]#[N+]c1ccc2c(c1)[C@@]1(NC(=N)N(Cc3ncccn3)C1=O)[C@]1(CC[C@H](OC)[C@H](CC)C1)C2 ZINC000473197992 IH Annotated Anodyne CC[C@@H]1C[C@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC(C)(C)F)C1=O ZINC000473198084 IH Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@]21NC(=N)N(CC(C)(C)F)C1=O ZINC000473198090 IH Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC(C)(C)F)C1=O ZINC000473198093 IH Annotated Mild CC(=O)c1c[nH]c2ccc(-c3cnc(C#N)nc3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473210241 IH Annotated Mild CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2)C1CC1 ZINC000473210244 IH Annotated Anodyne COc1cc(-c2nnc(-c3cc(O)c(O)cc3I)s2)ccc1O ZINC000473213474 IH Annotated Clean CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2[C@H]3CC4C[C@H]2CC(Cl)(C4)C3)cc1F ZINC000473213496 IH Annotated Anodyne COc1cnc2c(Nc3ccc(Cl)c([C@@]4(CF)NC(=N)O[C@@H]5C[C@@H]54)c3)nccc2n1 ZINC000473213518 IH Annotated Anodyne CC[C@@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1OC ZINC000473214466 IH Annotated Mild CC[C@@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1OC ZINC000473214467 IH Annotated Mild CC[C@@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1OC ZINC000473214468 IH Annotated Mild CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(C#N)C3CC4CC(C3)CC2C4)cc1F ZINC000473219266 IH Annotated Mild [C-]#[N+]C1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1 ZINC000473219269 IH Annotated Reactive Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2F)cn1 ZINC000473219271 IH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2F)cn1 ZINC000473219272 IH Annotated Anodyne CCCC(=O)C1=C(O)[C@@H](C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)C1=O ZINC000473243983 IH Annotated Mild CCCC(=O)C1=C(O)[C@H](C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)C1=O ZINC000473243984 IH Annotated Mild Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)no1 ZINC000473244512 IH Annotated Mild Cc1ccc(-c2nnc(S)n2/N=C/c2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 ZINC000473247232 IH Annotated Mild O=C1NC(=S)S/C1=C\c1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 ZINC000473248209 IH Annotated Mild CCCCc1cc(=O)n2[nH]c(=N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 ZINC000473249649 IH Annotated Mild CNCCN(C)Cc1c[nH]nc1-c1cc(O[C@H](CO)CC(C)C)cc(C(F)(F)F)c1 ZINC000474605231 IH Annotated Anodyne CNCCN(C)Cc1c[nH]nc1-c1cc(O[C@@H](CO)CC(C)C)cc(C(F)(F)F)c1 ZINC000474605235 IH Annotated Anodyne COc1cc2c3c4c(c(O)cc(C)c14)C(=O)O[C@H]3[C@H]1C[C@@H](C)O[C@@]1(C[C@@H]1CCC(=O)O1)O2 ZINC000474610003 IH Annotated Anodyne COc1cc2c3c4c(c(O)cc(C)c14)C(=O)O[C@@H]3[C@@H]1C[C@@H](C)O[C@]1(C[C@H]1CCC(=O)O1)O2 ZINC000474610004 IH Annotated Anodyne COc1cc2c3c4c(c(O)cc(C)c14)C(=O)O[C@@H]3[C@@H]1C[C@@H](C)O[C@]1(C[C@@H]1CCC(=O)O1)O2 ZINC000474610005 IH Annotated Anodyne COc1cc2c3c4c(c(O)cc(C)c14)C(=O)O[C@H]3[C@H]1C[C@@H](C)O[C@@]1(C[C@H]1CCC(=O)O1)O2 ZINC000474610006 IH Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 ZINC000048999215 IH Annotated Anodyne O=C1c2cc(Br)ccc2-n2nncc2[C@@H]2C[C@@H](OCc3ccccc3)CN12 ZINC000049017360 IH Annotated Anodyne C[C@@H]1[C@@]2(CC[C@@](C)(CO)O2)O[C@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]21O ZINC000049020953 IH Annotated Mild c1ccc2c(c1)OC[C@H](c1nc3ccc(-c4ccncc4)cc3n1CCN1CCOCC1)O2 ZINC000049031715 IH Annotated Anodyne c1ccc2c(c1)OC[C@@H](c1nc3ccc(-c4ccncc4)cc3n1CCN1CCOCC1)O2 ZINC000049031718 IH Annotated Anodyne NC(=O)c1cc(N)c2c(c1)nc(NCc1ccccc1Cl)n2C[C@H]1CCCCC[C@H]1O ZINC000049032433 IH Annotated Anodyne NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1ccc2c(c1)OCCO2 ZINC000049033855 IH Annotated Anodyne O=c1[nH]c2cnc(-n3cnc4ccc(Cl)cc43)nc2n1[C@@H]1CCOc2c(F)cccc21 ZINC000049034051 IH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)c2cn[nH]c2C(F)(F)[C@H]1C1CC1 ZINC000049035106 IH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H](C2CC2)c2cn[nH]c2C(F)(F)[C@H]1C1CC1 ZINC000049035108 IH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H](C2CC2)c2cn[nH]c2C(F)(F)C12CC2 ZINC000049035376 IH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)c2cn[nH]c2C(F)(F)C12CC2 ZINC000049035378 IH Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)C(=O)CCS4)c2C)C1 ZINC000049035592 IH Annotated Mild CC(C)(C)[C@@H]1C(=O)c2[nH]ncc2[C@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049036145 IH Annotated Anodyne CC(C)(C)[C@H]1C(=O)c2[nH]ncc2[C@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049036147 IH Annotated Anodyne CC(C)(C)[C@@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049036149 IH Annotated Anodyne CC(C)(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049036151 IH Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)[C@H](O)CCS4)c2C)C1 ZINC000049036515 IH Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)[C@@H](O)CCS4)c2C)C1 ZINC000049036517 IH Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)C(=O)[C@H](C)CS4)c(N)cc2C1 ZINC000049036909 IH Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)C(=O)[C@@H](C)CS4)c(N)cc2C1 ZINC000049036911 IH Annotated Mild NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C[C@@H]1COc2ccccc2O1 ZINC000049037553 IH Annotated Anodyne NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C[C@H]1COc2ccccc2O1 ZINC000049037555 IH Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)c([N+](=O)[O-])c1 ZINC000049050494 IH Annotated Clean COc1cc(/C=C2/SC(=S)N=C2O)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049052554 IH Annotated Bother O=C1c2ccccc2C(=O)c2cc(-n3cnc4n[nH]c(Nc5ccccc5)c4c3=O)ccc21 ZINC000049054947 IH Annotated Clean c1cnc2c(c1)CC[C@@H]1CCCN(Cc3cn4c(N5CCN6CCC[C@@H]6C5)cccc4n3)[C@H]21 ZINC000049066858 IH Annotated Anodyne CO[C@H]1O[C@H](COc2ccc3c(c2)CCCC3)[C@@H](O)[C@H](O)[C@H]1Oc1cccc(C(C)C)c1 ZINC000049067061 IH Annotated Anodyne CO[C@@H]1O[C@H](COc2ccc3c(c2)CCCC3)[C@@H](O)[C@H](O)[C@H]1Oc1cccc(C(C)C)c1 ZINC000049067948 IH Annotated Anodyne CSc1n/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)[nH]c2n1 ZINC000049068073 IH Annotated Anodyne CCOC(=O)CCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2n1C ZINC000049071849 IH Annotated Bother C[C@H](Nc1nccc(N(CCCCN)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 ZINC000049072464 IH Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3SCC(=O)N32)cc1OC ZINC000049072586 IH Annotated Anodyne COc1ccc([C@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3SCC(=O)N32)cc1OC ZINC000049072588 IH Annotated Anodyne COc1ccc([C@@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3SCC(=O)N32)cc1OC ZINC000049072590 IH Annotated Anodyne COc1ccc([C@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3SCC(=O)N32)cc1OC ZINC000049072592 IH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000049073033 IH Annotated Anodyne O=C(CNc1ccccc1C(F)(F)F)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000049088867 IH Annotated Anodyne O=C(CNc1cccc(C(F)(F)F)c1)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000049089028 IH Annotated Anodyne CCn1nc(C(=O)Nc2c(Cl)cncc2Cl)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000049089050 IH Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H]1C1CC1 ZINC000049089228 IH Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H]1C1CC1 ZINC000049089229 IH Annotated Anodyne CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O ZINC000049089678 IH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)c2cn[nH]c2C(F)(F)[C@@H]1C1CC1 ZINC000049109366 IH Annotated Anodyne O=C(NC(=S)Nc1nc2cc(Br)ccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000049109953 IH Annotated Bother O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)C(F)(F)c2[nH]ncc2[C@H]1C1CC1 ZINC000049110403 IH Annotated Anodyne CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CCC(C)(C)CC3(C)C)CC2)c2ccccc21 ZINC000049112054 IH Annotated Anodyne CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3CCC(C)(C)CC3(C)C)CC2)c2ccccc21 ZINC000049112055 IH Annotated Anodyne CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 ZINC000049112163 IH Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc2c(CN=[N+]=[N-])cc(=O)oc2cc1C ZINC000049112271 IH Annotated Clean COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C#N)ccc2[nH]1)C[C@H]3CCl ZINC000049113016 IH Annotated Reactive O=C(CNc1ccc(C(F)(F)F)cc1)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000049113102 IH Annotated Anodyne COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(O)ccc2[nH]1)C[C@H]3CCl ZINC000049114265 IH Annotated Reactive NC1=NC(=O)N=C(N)C1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000049694919 IH Annotated Anodyne NC1=NC(=O)N=C(N)C1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000049694920 IH Annotated Anodyne O=C(O)C1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000049708287 IH Annotated Reactive Cc1cc(-c2c(F)cc3c4nn(CC(=O)O)c(O)c4c[n+](C4CC4)c3c2F)cc(C)n1 ZINC000049733992 IH Annotated Anodyne CCCCCCC[C@@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O ZINC000049757312 IH Annotated Mild CCCCCCC[C@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O ZINC000049757313 IH Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(F)(F)c2[nH]ncc2[C@@H]1C(F)(F)F ZINC000049775627 IH Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(F)(F)c2[nH]ncc2[C@H]1C(F)(F)F ZINC000049775629 IH Annotated Mild C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H]1O[C@@]3(CCCCO3)[C@](C)(O)[C@@H]12 ZINC000049781470 IH Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CCCCO3)[C@](C)(O)[C@@H]12 ZINC000049781471 IH Annotated Anodyne CC1(C)CO[C@]2(C1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@H]1[C@@]2(C)O ZINC000049784201 IH Annotated Anodyne CC1(C)CO[C@@]2(C1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@H]1[C@@]2(C)O ZINC000049784494 IH Annotated Anodyne CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O ZINC000049785094 IH Annotated Anodyne Cc1cc(=O)oc2c(CNC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(OC(C)C)ccc12 ZINC000049802807 IH Annotated Anodyne Cc1cc(=O)oc2c(CN(C)C(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(OC(C)C)ccc12 ZINC000049802869 IH Annotated Anodyne Cc1ccccc1-c1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1C ZINC000049807748 IH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@H](O[N+](=O)[O-])[C@H]4C/C(=N/O[C@@H]5CCNC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049807809 IH Annotated Mild CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(F)ccc3F)CCN4)cn2)CC1 ZINC000049807881 IH Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCNCC1 ZINC000049808185 IH Annotated Mild CN1CCN(c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2C#N)CC1 ZINC000049808402 IH Annotated Mild O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc2cc3ccccc3cc2c1 ZINC000049808522 IH Annotated Bother C[C@@H]1CCC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46C[C@@H](O)[C@]3(C)[C@@H]12 ZINC000049867285 IH Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@]56C=CC(=O)O[C@H]5O6)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000049877964 IH Annotated Anodyne O=C(O)c1cn(-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2c1=O ZINC000049881485 IH Annotated Mild Cc1cc(Nc2ccc3c(c2)c(-c2ccc(N)cc2)[n+](C)c2cc(N)ccc32)nc(N)[n+]1C ZINC000000538264 IH Annotated Bother in-man Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1N(C)C ZINC000000581901 IH Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCCC[C@H]3CCO)c2NC(=O)c2ccco2)cc1C ZINC000000644273 IH Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCCC[C@@H]3CCO)c2NC(=O)c2ccco2)cc1C ZINC000000644275 IH Annotated Anodyne O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 ZINC000000667851 IH Annotated Reactive Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)o1 ZINC000000681623 IH Annotated Reactive COc1c(Br)cc2c(C)c(C(=O)N3CCOCC3)oc2c1Br ZINC000000754075 IH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NC)CC(C)(C)O2 ZINC000000756276 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NC)CC(C)(C)O2 ZINC000000756277 IH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NC)CC(C)(C)O2 ZINC000000756278 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NC)CC(C)(C)O2 ZINC000000756279 IH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000756306 IH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000756307 IH Annotated Anodyne CCN(CC)C(=O)CSc1nc2c(sc(=S)n2CC)c(=O)n1-c1ccccc1 ZINC000000756710 IH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758443 IH Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758444 IH Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758494 IH Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758495 IH Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758496 IH Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758497 IH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760339 IH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760340 IH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760341 IH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760342 IH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760343 IH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760344 IH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760345 IH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760346 IH Annotated Anodyne CCOC(=O)Cc1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]c1=O ZINC000000766720 IH Annotated Anodyne O=c1[nH]c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2nc1Cc1ccc(F)cc1 ZINC000000766831 IH Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 ZINC000000766858 IH Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 ZINC000000766859 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 ZINC000000767080 IH Annotated Anodyne O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000000767099 IH Annotated Anodyne O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F)N1CCOCC1 ZINC000000767101 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767216 IH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000767272 IH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000767274 IH Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1OC ZINC000000767763 IH Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1OC ZINC000000767765 IH Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000000767767 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000000767995 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000768834 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000768835 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000768866 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000768867 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000000769408 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000769434 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000769463 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769557 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769634 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769636 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000769648 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769889 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769891 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769989 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769991 IH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000770068 IH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000770070 IH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C ZINC000000770208 IH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C ZINC000000770210 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000770229 IH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000770324 IH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000770326 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000000770383 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000000770462 IH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000000770473 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000000770492 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CCOCC1 ZINC000000770880 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CCOCC1 ZINC000000770881 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CCOCC1 ZINC000000770882 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CCOCC1 ZINC000000770883 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CCOCC1 ZINC000000770926 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CCOCC1 ZINC000000770927 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CCOCC1 ZINC000000770928 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CCOCC1 ZINC000000770929 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770950 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770951 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770952 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770953 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000770978 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000770979 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000770980 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000770981 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000000771966 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000000771994 IH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000772307 IH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000772308 IH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000772339 IH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000772340 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000772899 IH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1 ZINC000000772900 IH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000772976 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000772978 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773041 IH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000773042 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000773094 IH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000773096 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000000773157 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CCOCC1 ZINC000000773185 IH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CCOCC1 ZINC000000773187 IH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000773276 IH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000773278 IH Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000000773495 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000000773496 IH Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NC(C)C)cc1 ZINC000000774326 IH Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775081 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775082 IH Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000000775400 IH Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000000775401 IH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000775501 IH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000775502 IH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000775503 IH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000775504 IH Annotated Anodyne COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000775531 IH Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000000775532 IH Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000775533 IH Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000000775534 IH Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775653 IH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775654 IH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775655 IH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775656 IH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775692 IH Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775693 IH Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775694 IH Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775695 IH Annotated Bother CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775730 IH Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775731 IH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776117 IH Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776118 IH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776782 IH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776783 IH Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776784 IH Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776785 IH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776786 IH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776787 IH Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776788 IH Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776789 IH Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000776843 IH Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000776999 IH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000777165 IH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1 ZINC000000777205 IH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1 ZINC000000777206 IH Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788961 IH Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788963 IH Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788964 IH Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788966 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790362 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790364 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790366 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790368 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000000790566 IH Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(OC)c(O)c1 ZINC000000816249 IH Annotated Mild COc1ccc2c(c1)CCn1cc(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c1-2 ZINC000000838130 IH Annotated Anodyne CCN(CC)CCn1nc2c3ccccc3sc3c(CNS(C)(=O)=O)ccc1c32 ZINC000000838520 IH Annotated Bother CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(CNS(C)(=O)=O)ccc1c32 ZINC000000838525 IH Annotated Bother CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000875475 IH Annotated Anodyne Cc1ccc(NCc2nnc(SCC(=O)N3CCCCC3)n2C[C@@H]2CCCO2)c(C)c1 ZINC000000923573 IH Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000000931215 IH Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1ccco1)N(C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000000931216 IH Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)NCc1ccccc1 ZINC000000977056 IH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000005070250 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000005070671 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000005070676 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000005070683 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000005070688 IH Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000005070826 IH Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000005070831 IH Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000005070838 IH Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000005070843 IH Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000005071175 IH Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000005071179 IH Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000005071183 IH Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000005071187 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071192 IH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071200 IH Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071205 IH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071257 IH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071267 IH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071274 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(C2=NO[C@]3(C2)N(C)c2ccccc2C3(C)C)cc1 ZINC000005173413 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(C2=NO[C@@]3(C2)N(C)c2ccccc2C3(C)C)cc1 ZINC000005173415 IH Annotated Anodyne NC(=O)c1cc(N)c2c(c1)nc(NCc1ccccc1Cl)n2C[C@@H]1CCCCC[C@@H]1O ZINC000051047944 IH Annotated Anodyne CC(=O)O[C@H]1CC=C2C(=O)OC[C@@]23C[C@@H](OC(C)=O)[C@@H](C)[C@](C)(CCc2ccoc2)[C@@H]13 ZINC000523041970 IH Annotated Anodyne CC(=O)O[C@H]1CC=C2C(=O)OC[C@@]23C[C@@H](OC(C)=O)[C@H](C)[C@](C)(CCc2ccoc2)[C@@H]13 ZINC000523041974 IH Annotated Anodyne CC(=O)O[C@H]1CC=C2C(=O)OC[C@@]23C[C@@H](OC(C)=O)[C@H](C)[C@](C)(CCc2ccoc2)[C@H]13 ZINC000523041979 IH Annotated Anodyne CC(=O)O[C@H]1CC=C2C(=O)OC[C@@]23C[C@@H](OC(C)=O)[C@@H](C)[C@](C)(CCc2ccoc2)[C@H]13 ZINC000523041980 IH Annotated Anodyne C=C1[C@H](OC(=O)/C(C)=C/C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000523042444 IH Annotated Mild biogenic C=C1[C@H](OC(=O)/C(C)=C\C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000523042445 IH Annotated Mild biogenic CN(C)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccnc2ccccc12 ZINC000052596217 IH Annotated Anodyne OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(Br)cc2)CC1 ZINC000053098909 IH Annotated Anodyne NC1=NC(=S)N=C(N)C1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000053122823 IH Annotated Anodyne NC1=NC(=S)N=C(N)C1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000053122824 IH Annotated Anodyne NC(=O)N1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1 ZINC000053147576 IH Annotated Anodyne O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(N2C(=O)CNc3ccccc32)CC1 ZINC000053164722 IH Annotated Anodyne COc1ccc(CNCCN2CCN(c3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000053166544 IH Annotated Anodyne COc1ccc(Cn2ccc3c2-c2[nH]c(=O)c(S(=O)(=O)c4ccccc4)cc2CC3)cc1 ZINC000053230538 IH Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cc[nH]n3)n2)CC1 ZINC000053244630 IH Annotated Anodyne OCCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1 ZINC000053259609 IH Annotated Anodyne O=[N+]([O-])c1ccccc1/C=N/n1c(CCNc2nc3ccccc3s2)n[nH]c1=S ZINC000053293872 IH Annotated Mild COc1ccccc1-c1cn(-c2ccc(O)c(C(=O)NCCc3ccc(F)cc3)c2)nn1 ZINC000053293926 IH Annotated Anodyne O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000053312606 IH Annotated Reactive O=C(OCCCc1ccccc1)c1cc(-n2cc(-c3cc(O)ccc3O)nn2)ccc1O ZINC000053312945 IH Annotated Anodyne N#CC1=C(NCN2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053313688 IH Annotated Reactive N#CC1=C(NCN2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053313691 IH Annotated Reactive N#CC1=C(NCN2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053313694 IH Annotated Reactive N#CC1=C(NCN2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053313696 IH Annotated Reactive COc1ccc2cc1Oc1ccc(cc1)/C=C\C(=O)NCCCNCCCCNC(=O)/C=C/2 ZINC000053598553 IH Annotated Anodyne in-man CC[C@H]1/C(=C/c2cccc(Cl)c2Cl)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053650935 IH Annotated Anodyne CC[C@@H]1/C(=C/c2cccc(Cl)c2Cl)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053650936 IH Annotated Anodyne O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000005581847 IH Annotated Bother COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)[nH]c2cc1OCCN(C)C ZINC000005582597 IH Annotated Reactive COc1cccc([C@@H]2C/C(=N\NC(=O)C(=O)N[C@@H](C)c3ccccc3)c3ccccc3N2)c1 ZINC000005582611 IH Annotated Reactive COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)N[C@@H](C)c3ccccc3)c3ccccc3N2)c1 ZINC000005582615 IH Annotated Reactive COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1 ZINC000005582649 IH Annotated Reactive C[C@@H](CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)[C@H](O)c1ccccc1 ZINC000005747117 IH Annotated Anodyne C[C@@H](CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)[C@H](O)c1ccccc1 ZINC000005747121 IH Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)C[C@]1(O)c1ccccc1 ZINC000005807965 IH Annotated Bother COc1ccc(/C(=N/NC(N)=O)[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)Oc3ccccc32)cc1 ZINC000005809800 IH Annotated Reactive COc1ccc(/C(=N/NC(N)=O)[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)Oc3ccccc32)cc1 ZINC000005809802 IH Annotated Reactive COc1ccc(/C(=N\NC(=N)N)[C@H](c2ccc(OC)cc2)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000005809881 IH Annotated Mild COc1ccc(/C(=N\NC(=N)N)[C@@H](c2ccc(OC)cc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000005809883 IH Annotated Mild COc1ccc(/C(=N\NC(=N)N)[C@H](c2ccc(OC)cc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000005809885 IH Annotated Mild COC(=O)C1=C(c2cc(OC)c(OC)c(OC)c2)O[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000005811242 IH Annotated Anodyne Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n2c1nc1ccccc12 ZINC000005833793 IH Annotated Bother COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NO)cc43)[nH]c2c(OC)c1OC ZINC000005839802 IH Annotated Reactive CC(=O)O[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC1(c2cc3ccccc3[nH]2)OCCO1 ZINC000005848384 IH Annotated Anodyne CC(=O)O[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC1(c2cc3ccccc3[nH]2)OCCO1 ZINC000005848393 IH Annotated Anodyne CC(=O)O[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CC1(c2cc3ccccc3[nH]2)OCCO1 ZINC000005848394 IH Annotated Anodyne CC(=O)O[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CC1(c2cc3ccccc3[nH]2)OCCO1 ZINC000005848398 IH Annotated Anodyne O=C1C[C@@H]2[C@@H](c3ccccc3)[C@@H]3C(=O)c4ccccc4NC(=O)[C@H]3[C@]2(O)c2ccccc2N1 ZINC000005850404 IH Annotated Anodyne CCCC(=O)N/[S@](=N/S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000005852395 IH Annotated Anodyne COC(=O)C(=O)O[C@@]1(C(C)=O)C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000005883513 IH Annotated Anodyne COC(=O)C(=O)O[C@]1(C(C)=O)C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000005883519 IH Annotated Anodyne CC[C@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)[C@@]1(C#N)C(=O)OC(C)(C)C ZINC000005884532 IH Annotated Mild C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc43)C[C@H]12 ZINC000005923564 IH Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc43)C[C@H]12 ZINC000005923566 IH Annotated Anodyne C/C=C\[C@@H](CC(=O)O)CN1CCC2=C(C1)[C@H](S(=O)(=O)C(F)(F)F)c1ccccc12 ZINC000005923636 IH Annotated Anodyne C/C=C\[C@H](CC(=O)O)CN1CCC2=C(C1)[C@H](S(=O)(=O)C(F)(F)F)c1ccccc12 ZINC000005923642 IH Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OCc2ccccc2)[C@@H]1OC(C)=O ZINC000005923770 IH Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)cc2)C2(C(=O)NC(=O)NC2=O)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005924726 IH Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)cc2)C2(C(=O)NC(=O)NC2=O)[C@H](c2ccc(Cl)cc2)C1 ZINC000005924730 IH Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000005963681 IH Annotated Anodyne in-vivo Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc4c(nc3Cl)CCC4)C2)CC1 ZINC000055053832 IH Annotated Anodyne Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc4c(nc3Cl)CCC4)C2)CC1 ZINC000055053833 IH Annotated Anodyne CN(Cc1cnccn1)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12 ZINC000055098917 IH Annotated Anodyne C[n+]1ccc(Nc2ccc(Cc3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000055775648 IH Annotated Anodyne N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccccc1Cl ZINC000055802598 IH Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccccc1Cl ZINC000055802599 IH Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1/C=C/c1ccccc1 ZINC000055805357 IH Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1/C=C/c1ccccc1 ZINC000055805358 IH Annotated Reactive C[n+]1ccc(Nc2ccc(Oc3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000055840251 IH Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2C[C@@H]3CC[C@H](C2)N3C2CCC2)cc1 ZINC000058468776 IH Annotated Anodyne CSC(=S)[C@H](C#N)C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000058482509 IH Annotated Mild Cc1ccc2c(c1)NC[C@@]21CCN(C[C@@H](O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1C ZINC000058487789 IH Annotated Mild C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCC2=CC(C(N)=O)=CC[C@@H]21 ZINC000058498226 IH Annotated Anodyne COc1cc([C@H]2NC(=S)NC(c3ccc(C)cc3)=C2CCC(=O)O)cc(OC)c1OC ZINC000058498670 IH Annotated Anodyne C[C@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@@H](C)N1CCO ZINC000058498998 IH Annotated Anodyne CCN1C(=O)COc2cc(N(CC(F)(F)F)S(=O)(=O)c3ccc(C)c(C)c3)ccc21 ZINC000584904737 IH Annotated Anodyne Cc1[nH]c(C(=O)Nc2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000584904741 IH Annotated Anodyne NCc1cccc(OC[C@@H]2CN(c3cccc(C#Cc4cccnc4Cl)c3)C(=O)O2)c1 ZINC000584905179 IH Annotated Mild CC[C@@H](C)c1ccc2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000058500259 IH Annotated Anodyne CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)CN(C(C)C)[C@@H]2c1ccc(F)cc1)C(=O)OC ZINC000058506610 IH Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000058523587 IH Annotated Anodyne COc1cc(C2=C[C@H](c3cc(OC)c(OC)c(OC)c3)N=C(S)N2)cc(OC)c1OC ZINC000058528800 IH Annotated Anodyne COc1cc(OC)c([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(S)=N2)c(OC)c1 ZINC000058528841 IH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000058538216 IH Annotated Anodyne O=C(O)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1cccc2ccccc12 ZINC000058538349 IH Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000058540705 IH Annotated Anodyne COc1cccc2cc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)oc12 ZINC000058541900 IH Annotated Reactive NCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl ZINC000058548086 IH Annotated Anodyne CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CC1)c1nc(C#N)ncc1Br ZINC000058548764 IH Annotated Reactive COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2Cl)[nH]n1 ZINC000058563852 IH Annotated Anodyne COc1ccc(C(C)(C)C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)cc1 ZINC000058569126 IH Annotated Reactive COc1ccc2oc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2c1 ZINC000058569421 IH Annotated Reactive CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@H](C(N)=O)C[C@]2(CC(C)C)C(=O)O)cc1 ZINC000058570467 IH Annotated Anodyne Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)oc2ccccc12 ZINC000058575228 IH Annotated Reactive COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000058575284 IH Annotated Anodyne CCN1C[C@@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12 ZINC000058575468 IH Annotated Anodyne COc1cc(F)c(/C=C2\CN(C)C/C(=C\c3cc(OC)c(OC)cc3F)C2=O)cc1OC ZINC000058581050 IH Annotated Mild c1ccc(Cn2nnnc2[C@H](c2ccc3cc[nH]c3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058581879 IH Annotated Anodyne Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)n(C)c2ccccc12 ZINC000058582053 IH Annotated Reactive CC(C)CN(NC(=O)c1ncoc1-c1ccccc1)c1nc(C#N)ncc1Br ZINC000058583782 IH Annotated Reactive CC(C)CN(NC(=O)c1cc(-c2ccccc2)no1)c1nc(C#N)ncc1Br ZINC000058590503 IH Annotated Reactive COc1ccc(Cn2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1Br ZINC000058590528 IH Annotated Anodyne CCOC(=O)CCCCCOCC#Cc1ccc2c(c1)c(=O)c(C(=O)OCC)cn2CC ZINC000058590547 IH Annotated Mild C[C@H]1CN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)C[C@@H](C)N1C1CCC1 ZINC000058590840 IH Annotated Anodyne O=C(CCCc1ccc([N+](=O)[O-])cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058591008 IH Annotated Clean COc1cc(Cc2cnc(N)n([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000058591174 IH Annotated Anodyne CC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000058591759 IH Annotated Mild CCCCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(=O)CC(C)C)[C@]21CO1 ZINC000058592238 IH Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000058592552 IH Annotated Clean Cc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1 ZINC000058592621 IH Annotated Anodyne COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000058592672 IH Annotated Anodyne COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)cc1Br ZINC000058592751 IH Annotated Anodyne CN1CCC(Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3F)c2)CC1 ZINC000058594499 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000058598568 IH Annotated Anodyne COc1c2c(c(C(C)(C)[C@H]3CO3)c3oc(=O)c(C(C)(C)[C@H]4CO4)cc13)OC(C)(C)[C@H]1O[C@@H]21 ZINC000058598697 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 ZINC000058598847 IH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000058602701 IH Annotated Anodyne O=C(Cn1nc(C2CCCCC2)cc(Cc2ccco2)c1=O)NC1Cc2ccccc2C1 ZINC000058602767 IH Annotated Anodyne O=C(Cn1nc(C2CCC(F)(F)CC2)c2ccccc2c1=O)NCCOc1ccccc1 ZINC000058603210 IH Annotated Anodyne O=C(Cn1nc(C2CCCCC2)cc(Cc2ccco2)c1=O)NCCc1cccc(F)c1 ZINC000058608263 IH Annotated Anodyne CC[C@H](C)c1cccc2c1O[P@](=O)(OC[C@@H]1C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000058614443 IH Annotated Anodyne N=C(N)[C@H]1CCC[C@@H](COC(=O)c2cc3ccccc3n2CC2=C[C@H](C(=N)N)CC=C2)C1 ZINC000058650344 IH Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c2)c1N ZINC000058650460 IH Annotated Anodyne Cc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN ZINC000058651156 IH Annotated Anodyne Cc1cc(C)c(CC(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)c(C)c1 ZINC000058651332 IH Annotated Reactive c1ccc(Cn2nnnc2[C@H](c2ccc3[nH]ccc3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058655457 IH Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586892011 IH Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586892018 IH Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586893361 IH Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586893362 IH Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586894001 IH Annotated Mild CCCCCCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586894002 IH Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586894003 IH Annotated Mild CCCCCCCCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586894004 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586898652 IH Annotated Anodyne CC(C)C[C@H](O)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586901041 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586901701 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1 ZINC000586901845 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1 ZINC000586901846 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1 ZINC000586901848 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1 ZINC000586901850 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2c1 ZINC000586903329 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2c1 ZINC000586904516 IH Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Cl)ncc(I)c3[nH]1)=C2 ZINC000586908875 IH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586909238 IH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586909239 IH Annotated Anodyne CC1=C(c2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)NNC(=O)C1 ZINC000586911163 IH Annotated Mild CC1=C(c2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)NNC(=O)C1 ZINC000586911175 IH Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 ZINC000586912104 IH Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1)C(F)(F)F ZINC000586913128 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586914351 IH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586915481 IH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586915483 IH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586915484 IH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586915485 IH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586915598 IH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586915599 IH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586915601 IH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586915603 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916479 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916481 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916483 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916485 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916739 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916741 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916743 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916746 IH Annotated Anodyne COC(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1OC ZINC000586917367 IH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=O)NN)cc4[nH]3)c(=O)oc2c1C ZINC000586917810 IH Annotated Reactive CCS(=O)(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 ZINC000586918455 IH Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)ccc12 ZINC000586918470 IH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4nc(Br)c[nH]c-4n3)c(=O)oc2c1C ZINC000586918766 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1 ZINC000586919018 IH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4nc(C#N)c(C#N)nc4[nH]3)c(=O)oc2c1C ZINC000586919063 IH Annotated Mild COc1ccc2c(C)c(CCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(=O)oc2c1C ZINC000586919223 IH Annotated Bother COC(=O)c1cc2[nH]c(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)nc2cc1OC ZINC000586919245 IH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000586920025 IH Annotated Mild O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586920086 IH Annotated Bother CSc1sc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920127 IH Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586920368 IH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586920421 IH Annotated Bother CSc1sc(-c2nc3c(O)nc(S)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920702 IH Annotated Anodyne O=S(=O)(CCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920778 IH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586920781 IH Annotated Anodyne O=S(=O)(CCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920833 IH Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 ZINC000586921100 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586921746 IH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586921927 IH Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586921936 IH Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3S(=O)(=O)CC)nc2c1 ZINC000586922407 IH Annotated Anodyne Nc1ccc(-c2ccc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3c2)cc1N ZINC000586922415 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)o1 ZINC000586922587 IH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586922718 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)o1 ZINC000586922797 IH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586922891 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)o1 ZINC000586922917 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2)o1 ZINC000586923245 IH Annotated Mild CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)o1 ZINC000586923381 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(Br)c4[nH]3)c2)o1 ZINC000586923442 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)o1 ZINC000586923489 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)o1 ZINC000586923728 IH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)o1 ZINC000586923845 IH Annotated Anodyne O=S(=O)(/C=C\c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1 ZINC000586923946 IH Annotated Anodyne O=S(=O)(/C=C/c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1 ZINC000586923947 IH Annotated Anodyne COc1cc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924326 IH Annotated Unstable COc1cc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924334 IH Annotated Unstable COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Cl ZINC000586924347 IH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586924349 IH Annotated Unstable COc1cc(Cc2nc3ccc(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924368 IH Annotated Unstable CCOC(=O)Cc1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 ZINC000586924382 IH Annotated Unstable COc1cc(Cc2nc3cc(C#N)cc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924385 IH Annotated Unstable O=S(=O)(/C=C\c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000586924398 IH Annotated Anodyne O=S(=O)(/C=C/c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000586924400 IH Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586924483 IH Annotated Unstable COc1cc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924581 IH Annotated Unstable COc1cc(Cc2nc3cccc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924592 IH Annotated Unstable Cc1nc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2cc1Br ZINC000586924643 IH Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586924670 IH Annotated Unstable COc1cc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924735 IH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586924770 IH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586924798 IH Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586924823 IH Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586924837 IH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586924844 IH Annotated Bother COc1cc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924899 IH Annotated Unstable O=C1COc2cc3[nH]c(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)nc3cc2N1 ZINC000586924976 IH Annotated Unstable COc1cc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925077 IH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586925231 IH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586925438 IH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586925470 IH Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1Cl ZINC000586925534 IH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586925629 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1OC ZINC000586925688 IH Annotated Unstable COc1cc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925697 IH Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586925734 IH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925741 IH Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586925759 IH Annotated Unstable COc1cc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925881 IH Annotated Unstable COc1cc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925887 IH Annotated Unstable COC(=O)c1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 ZINC000586925934 IH Annotated Bother COc1nccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926038 IH Annotated Unstable COc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1 ZINC000586926142 IH Annotated Unstable CC1=C(c2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3c2)NNC(=O)C1 ZINC000586926234 IH Annotated Unstable COc1cncc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926287 IH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586926289 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 ZINC000586926347 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 ZINC000586926350 IH Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cccc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926452 IH Annotated Bother Nc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1N ZINC000586926656 IH Annotated Unstable CCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1S(=O)(=O)Cl ZINC000586926675 IH Annotated Unstable COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cn1 ZINC000586926904 IH Annotated Unstable COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2cc1OC ZINC000586926905 IH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586927039 IH Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586927200 IH Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586927211 IH Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1Cl ZINC000586927360 IH Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cnccc3[nH]2)CC1 ZINC000586927427 IH Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586927472 IH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586927593 IH Annotated Unstable CC1=C(c2ccc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3c2)NNC(=O)C1 ZINC000586927855 IH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586927882 IH Annotated Anodyne CCc1ccc(-c2nc3cc(I)cnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586928110 IH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928196 IH Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc([N+](=O)[O-])c1Cl ZINC000586928244 IH Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586928336 IH Annotated Unstable Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1S(=O)(=O)Cl ZINC000586928378 IH Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586928421 IH Annotated Anodyne CN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928430 IH Annotated Anodyne CN(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928434 IH Annotated Anodyne CN(Cc1nc2cc(Br)cc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928457 IH Annotated Mild COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1OC ZINC000586928467 IH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1Cl ZINC000586928483 IH Annotated Unstable Cc1c(Br)cnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586928503 IH Annotated Anodyne CN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928511 IH Annotated Anodyne Cc1nc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2cc1Br ZINC000586928532 IH Annotated Anodyne CN(Cc1nc2ccc(Br)c(O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928584 IH Annotated Anodyne Cc1c(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1C ZINC000586928597 IH Annotated Mild CN(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928793 IH Annotated Mild CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928800 IH Annotated Mild CN(Cc1nc2cc(Cl)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928820 IH Annotated Mild CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928833 IH Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928856 IH Annotated Anodyne CN(Cc1nc2cc(Br)cc(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928890 IH Annotated Anodyne CN(Cc1nc2ccc(F)c(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928954 IH Annotated Anodyne CN(Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928974 IH Annotated Mild CN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928986 IH Annotated Anodyne CN(Cc1nc2cc(F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929024 IH Annotated Anodyne CN(Cc1nc2cc(Br)c(F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929029 IH Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c1 ZINC000586929076 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586929113 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586929151 IH Annotated Anodyne CN(Cc1nc2cc(C#N)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929196 IH Annotated Mild CN(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929254 IH Annotated Mild CN(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929336 IH Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586929405 IH Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000586929449 IH Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929626 IH Annotated Mild CN(Cc1nc2ccc(Br)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929649 IH Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929657 IH Annotated Mild NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586929693 IH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586929709 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000586929862 IH Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586929915 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(C)nccc3[nH]2)c1 ZINC000586929939 IH Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br ZINC000586930013 IH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586930030 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(OC)nc3[nH]2)c1 ZINC000586930152 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586930165 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C)nc3[nH]2)c1 ZINC000586930169 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)o1 ZINC000586930209 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(O)c3[nH]2)c1 ZINC000586930224 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cncc(OC)c3[nH]2)c1 ZINC000586930244 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(OC)c3[nH]2)c1 ZINC000586930303 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(C)ccnc3[nH]2)c1 ZINC000586930367 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cncc(C)c3[nH]2)c1 ZINC000586930596 IH Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586930634 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586930651 IH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586930674 IH Annotated Anodyne CC(C)Oc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1Br ZINC000586930748 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)o1 ZINC000586930768 IH Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586930772 IH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)nc12 ZINC000586930820 IH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586930867 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000586930924 IH Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586930935 IH Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 ZINC000586931110 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000586931147 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC)ncc3[nH]2)c1 ZINC000586931173 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)cnc3[nH]2)c1 ZINC000586931188 IH Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2cn1 ZINC000586931239 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)o1 ZINC000586931317 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)o1 ZINC000586931539 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586931591 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2n1 ZINC000586931596 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1 ZINC000586931703 IH Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586931795 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)o1 ZINC000586931833 IH Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586931942 IH Annotated Anodyne Cc1c(Br)cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1C ZINC000586931954 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586932058 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586932060 IH Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586932068 IH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586932147 IH Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586932148 IH Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586932254 IH Annotated Clean CCCCS(=O)(=O)N[C@@H](c1nc2cccc(I)c2[nH]1)C(C)C ZINC000586932584 IH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(I)c2[nH]1)C(C)C ZINC000586932586 IH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C ZINC000586932735 IH Annotated Clean CCCCS(=O)(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C ZINC000586932818 IH Annotated Clean CCCCS(=O)(=O)N[C@H](c1nc2ccc(I)cc2[nH]1)C(C)C ZINC000586933065 IH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(I)cc2[nH]1)C(C)C ZINC000586933066 IH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C ZINC000586933298 IH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C ZINC000586933299 IH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586933627 IH Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586933629 IH Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586934506 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586934507 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586934664 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586934669 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586934942 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586934944 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586934954 IH Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586934956 IH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586935081 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586935082 IH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586935311 IH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586935313 IH Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)cc1 ZINC000586935376 IH Annotated Mild CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)cc1 ZINC000586935379 IH Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586935438 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586935439 IH Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586935589 IH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586935594 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586935841 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586935842 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586935843 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586935844 IH Annotated Anodyne COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1OC ZINC000586935905 IH Annotated Anodyne COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1OC ZINC000586935908 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586935938 IH Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586935940 IH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586935995 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586935997 IH Annotated Anodyne COC(=O)c1cccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586935999 IH Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586936000 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586936430 IH Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586936436 IH Annotated Mild CCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br ZINC000586936931 IH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1 ZINC000586936963 IH Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586936969 IH Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586936974 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586937057 IH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586937081 IH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586937601 IH Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586937604 IH Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586937661 IH Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586937664 IH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586938002 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586938009 IH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586938319 IH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586938321 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586938417 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586938418 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586938440 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586938442 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586938689 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586938694 IH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586938704 IH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586938711 IH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586939247 IH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586939248 IH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586939257 IH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc2c1 ZINC000586939259 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586939963 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 ZINC000586939964 IH Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586940171 IH Annotated Reactive C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586940172 IH Annotated Reactive Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586940573 IH Annotated Mild Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586940574 IH Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940659 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940736 IH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586940762 IH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586940763 IH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940853 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000586940875 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940920 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940940 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940945 IH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586941136 IH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586941137 IH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(C)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941160 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000586941174 IH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586941182 IH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586941183 IH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941642 IH Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc4ccccc4cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941774 IH Annotated Bother O=S(=O)(NCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)s1 ZINC000586941782 IH Annotated Anodyne Cc1c(Br)cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1C ZINC000586941791 IH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941881 IH Annotated Bother CCS(=O)(=O)NCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586941926 IH Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941994 IH Annotated Bother O=S(=O)(NCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586942038 IH Annotated Anodyne O=S(=O)(NCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942225 IH Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3c2)cc1 ZINC000586942324 IH Annotated Clean O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942328 IH Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942366 IH Annotated Anodyne CCCCCCCCOc1cc2nc(CNS(=O)(=O)NC)[nH]c2cc1Br ZINC000586942393 IH Annotated Mild O=S(=O)(NCCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942416 IH Annotated Anodyne O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCCCO3)c1c(Cl)cccc1Cl ZINC000586942422 IH Annotated Anodyne O=S(=O)(NCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)s1 ZINC000586942558 IH Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Cl ZINC000586942594 IH Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942628 IH Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)s1 ZINC000586942648 IH Annotated Anodyne CC(C)(C)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2n1 ZINC000586942664 IH Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586942738 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Cl ZINC000586942757 IH Annotated Bother Cc1cc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2cc1[N+](=O)[O-] ZINC000586942805 IH Annotated Bother CC(C)Oc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942966 IH Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)s1 ZINC000586942999 IH Annotated Anodyne O=S(=O)(NCCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943107 IH Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586943167 IH Annotated Reactive O=S(=O)(NCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)s1 ZINC000586943188 IH Annotated Anodyne CCCCCOc1cc2nc(CCCNS(=O)(=O)CC)[nH]c2cc1Br ZINC000586943196 IH Annotated Anodyne Cc1ccc2c(ccc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c32)n1 ZINC000586943257 IH Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)s1 ZINC000586943299 IH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586943309 IH Annotated Mild O=S(=O)(NCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943345 IH Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943378 IH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586944033 IH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)cc1 ZINC000586944790 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586944990 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586944991 IH Annotated Anodyne O=C(O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1F ZINC000586944994 IH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586944995 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586945007 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586945008 IH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)cc1 ZINC000586945087 IH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586945244 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586945294 IH Annotated Anodyne COC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945301 IH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586945360 IH Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)NC[C@@H]5CCCO5)ccc4C)[nH]c32)n1 ZINC000586945363 IH Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)NC[C@H]5CCCO5)ccc4C)[nH]c32)n1 ZINC000586945364 IH Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1OC ZINC000586945369 IH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945370 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586945459 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586945471 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586945474 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586945505 IH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945520 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586945620 IH Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945667 IH Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1C#N ZINC000586945668 IH Annotated Mild N[C@@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945755 IH Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945757 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586945808 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586945932 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Cl ZINC000586946043 IH Annotated Bother O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586946104 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586946107 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586946111 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586946142 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586946235 IH Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946407 IH Annotated Mild O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cncc(Br)c2[nH]1 ZINC000586946418 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1F ZINC000586946469 IH Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586946488 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586946494 IH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 ZINC000586946529 IH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 ZINC000586946532 IH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586946535 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586946636 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586946639 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586946640 IH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586946644 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586946645 IH Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 ZINC000586946666 IH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 ZINC000586946668 IH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2n1 ZINC000586946738 IH Annotated Anodyne O=C1CCc2cc3nc(-c4sccc4S(=O)(=O)NCc4cccs4)[nH]c3cc2N1 ZINC000586946810 IH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586946876 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586946949 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586946963 IH Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586946966 IH Annotated Mild O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 ZINC000586947033 IH Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 ZINC000586947034 IH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586947081 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586947173 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586947174 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586947197 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586947198 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586947205 IH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586947206 IH Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(N)nc(Cl)c4[nH]3)cc2)c1C ZINC000586947562 IH Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947563 IH Annotated Anodyne COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cn1 ZINC000586947845 IH Annotated Bother COc1nccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c12 ZINC000586947854 IH Annotated Bother CC(C)Oc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br ZINC000586948083 IH Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586948252 IH Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586948420 IH Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586948686 IH Annotated Bother COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2n1 ZINC000586949189 IH Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586949488 IH Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949834 IH Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586949897 IH Annotated Anodyne Cc1cc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2cc1[N+](=O)[O-] ZINC000586950096 IH Annotated Bother Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c(C)n1 ZINC000586950123 IH Annotated Anodyne O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccc(N2CCCCC2)cc1 ZINC000586950132 IH Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586950217 IH Annotated Anodyne N#Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950407 IH Annotated Mild N#Cc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950484 IH Annotated Mild O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000586950747 IH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586950849 IH Annotated Anodyne COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1OC ZINC000586950938 IH Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1C ZINC000586951144 IH Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951196 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F ZINC000586951207 IH Annotated Bother COc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1F ZINC000586951211 IH Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951250 IH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 ZINC000586951405 IH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000586951499 IH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586951614 IH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cnc4ccccc4c3[nH]2)c1 ZINC000586951649 IH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000586951706 IH Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951749 IH Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586951759 IH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586951768 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586952012 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586952136 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586952327 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586952682 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586952978 IH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586953170 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586953252 IH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586953451 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586953458 IH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586953606 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586953697 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586953973 IH Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586954038 IH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 ZINC000586954097 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586954264 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586954286 IH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cncc(Br)c2[nH]1 ZINC000586954328 IH Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000586954355 IH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2N)C1 ZINC000586954399 IH Annotated Clean CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CC2)cc1 ZINC000586954423 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CC2)cc1 ZINC000586954426 IH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2N)C1 ZINC000586954487 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC2)cc1 ZINC000586954503 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OCO5)CC2)cc1 ZINC000586954541 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)cc1 ZINC000586954586 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)cc1 ZINC000586954878 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)cc1 ZINC000586954888 IH Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2N)C1 ZINC000586954894 IH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1)N1CCC1 ZINC000586954900 IH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2N)C1 ZINC000586954964 IH Annotated Anodyne O=[N+]([O-])c1cncc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586955057 IH Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4cncc(Br)c4[nH]3)CC2)cc1 ZINC000586955222 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C#N)c(C#N)cc4[nH]3)CC2)cc1 ZINC000586955252 IH Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)ncc4[nH]3)CC2)cc1 ZINC000586955280 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(S)nc(S)nc4[nH]3)CC2)cc1 ZINC000586955285 IH Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1C ZINC000586955331 IH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1)N1CCC1 ZINC000586955358 IH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586955396 IH Annotated Bother Cc1nc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2cc1Br ZINC000586955412 IH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2N)C1 ZINC000586955628 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(CCO)cc4[nH]3)CC2)cc1 ZINC000586955808 IH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586955878 IH Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2N)C1 ZINC000586955922 IH Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2N)C1 ZINC000586956049 IH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 ZINC000586956060 IH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1)N1CCC1 ZINC000586956124 IH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1)N1CCC1 ZINC000586956210 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1Cl ZINC000586956212 IH Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(OC)c2[nH]1 ZINC000586956361 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000586956483 IH Annotated Mild O=S(=O)(c1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956502 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C#N)c2[nH]1 ZINC000586956550 IH Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586956567 IH Annotated Anodyne Nc1ccnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 ZINC000586956625 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586956714 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586956732 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586956825 IH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586957524 IH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000586957702 IH Annotated Mild O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957795 IH Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957796 IH Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957798 IH Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957800 IH Annotated Bother Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000586957980 IH Annotated Mild O=C(O)c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586958045 IH Annotated Anodyne O=C(O)c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586958047 IH Annotated Anodyne O=C1CCc2cc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3cc2N1 ZINC000586958103 IH Annotated Anodyne O=C1CCc2cc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3cc2N1 ZINC000586958105 IH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000586958296 IH Annotated Mild C=CCc1cccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586958670 IH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586958807 IH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000586959032 IH Annotated Mild CSc1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000586959163 IH Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959426 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959428 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959430 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959432 IH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959443 IH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959445 IH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959447 IH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959449 IH Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586959535 IH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(OC(C)C)cc3[nH]2)cc1 ZINC000586959552 IH Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586959717 IH Annotated Mild O=[S@](CCCc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1 ZINC000586959771 IH Annotated Anodyne O=[S@@](CCCc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1 ZINC000586959775 IH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586959947 IH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586959950 IH Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586960307 IH Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586960309 IH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961452 IH Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961453 IH Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961457 IH Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961460 IH Annotated Bother O=[S@](CCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586961660 IH Annotated Anodyne O=[S@@](CCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586961661 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@H]2CCCC[C@@H]21 ZINC000586961948 IH Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961970 IH Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961971 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@@H]2CCCC[C@@H]21 ZINC000586962072 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@@H]2CCCC[C@H]21 ZINC000586962074 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@H]2CCCC[C@H]21 ZINC000586962077 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962184 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962185 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962187 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962190 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962511 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962513 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962515 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962516 IH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(CCO)cc3[nH]2)ccc1Cl ZINC000586962828 IH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586963368 IH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586963369 IH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(CO)cc3[nH]2)ccc1Cl ZINC000586963527 IH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Cl)ncnc3[nH]2)ccc1Cl ZINC000586963696 IH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(I)cnc2[nH]1 ZINC000586963920 IH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(I)cnc2[nH]1 ZINC000586963921 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 ZINC000586964093 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 ZINC000586964094 IH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl ZINC000586964171 IH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000586964451 IH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000586964453 IH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(Br)c2[nH]1 ZINC000586964480 IH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586964695 IH Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586964833 IH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586964850 IH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586964864 IH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n2C)cc1 ZINC000586964935 IH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586965124 IH Annotated Bother Brc1c[nH]c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc-2n1 ZINC000586965859 IH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)n2C)cc1 ZINC000586965877 IH Annotated Bother CC1=C(c2ccc3nc(CSc4nnc(-c5ccc(C)cc5)n4C)[nH]c3c2)NNC(=O)C1 ZINC000586965892 IH Annotated Anodyne O=C1COc2cc3[nH]c(CSc4nnc(C5CC5)n4Cc4ccccc4)nc3cc2N1 ZINC000586965941 IH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(CN5CCOCC5)cc4[nH]3)n2C)cc1 ZINC000586965992 IH Annotated Anodyne Sc1nc(S)c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 ZINC000586966189 IH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)n1 ZINC000586966201 IH Annotated Anodyne CCCCOc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586966258 IH Annotated Anodyne CC(C)COc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586966273 IH Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1)C(F)(F)F ZINC000586966314 IH Annotated Anodyne Ic1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966337 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cccnc3SCC(=O)O)[nH]c2c1 ZINC000586966342 IH Annotated Anodyne Ic1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966343 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966505 IH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nc(O)cc(O)n5)[nH]c4c3)o2)cc1 ZINC000586966535 IH Annotated Anodyne COC(=O)c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586966553 IH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966724 IH Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000586966779 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1 ZINC000586966997 IH Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000586967056 IH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586967067 IH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000586967074 IH Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)c1 ZINC000586967086 IH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3nc(Br)c[nH]c-3n2)cc1Cl ZINC000586967097 IH Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)c1 ZINC000586967161 IH Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000586967255 IH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000586967321 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967326 IH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967406 IH Annotated Bother O=C(O)CSc1ncccc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000586967420 IH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967453 IH Annotated Bother O=C(O)c1cccnc1SCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586967488 IH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(N)=O)cc3[nH]2)c1C=O ZINC000586967582 IH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1Cl ZINC000586967737 IH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C(N)=O)c3[nH]2)c1C=O ZINC000586967751 IH Annotated Anodyne COc1nccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586967775 IH Annotated Anodyne COc1nccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586967776 IH Annotated Anodyne COc1nccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586967777 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(CCO)cc3[nH]2)C[C@H](C)O1 ZINC000586967804 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(CCO)cc3[nH]2)C[C@@H](C)O1 ZINC000586967805 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(CCO)cc3[nH]2)C[C@@H](C)O1 ZINC000586967806 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(CO)cc3[nH]2)C[C@@H](C)O1 ZINC000586967989 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(CO)cc3[nH]2)C[C@H](C)O1 ZINC000586967990 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(CO)cc3[nH]2)C[C@@H](C)O1 ZINC000586967991 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(N)c(N)cc3[nH]2)C[C@@H](C)O1 ZINC000586967992 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(N)c(N)cc3[nH]2)C[C@@H](C)O1 ZINC000586967993 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(N)c(N)cc3[nH]2)C[C@H](C)O1 ZINC000586967994 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=N)N)cc3[nH]2)C[C@H](C)O1 ZINC000586968007 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=N)N)cc3[nH]2)C[C@@H](C)O1 ZINC000586968008 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=N)N)cc3[nH]2)C[C@@H](C)O1 ZINC000586968009 IH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(O)nc(S)nc3[nH]2)c1C=O ZINC000586968099 IH Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586968269 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)ncnc3[nH]2)C[C@H](C)O1 ZINC000586968344 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)ncnc3[nH]2)C[C@@H](C)O1 ZINC000586968350 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)ncnc3[nH]2)C[C@@H](C)O1 ZINC000586968352 IH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586968422 IH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1C=O ZINC000586968521 IH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1Cl ZINC000586968531 IH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1Cl ZINC000586968538 IH Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586968596 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(N)=O)cc3[nH]2)C[C@H](C)O1 ZINC000586968609 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(N)=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586968615 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(N)=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586968616 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nc(O)cc(CC)n3)nc2c1 ZINC000586968842 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc(Cl)[nH]c-3n2)C[C@H](C)O1 ZINC000586968976 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc(Cl)[nH]c-3n2)C[C@@H](C)O1 ZINC000586968977 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc(Cl)[nH]c-3n2)C[C@@H](C)O1 ZINC000586968978 IH Annotated Anodyne COc1cncc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968980 IH Annotated Anodyne COc1cncc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968982 IH Annotated Anodyne COc1cncc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968983 IH Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cn1 ZINC000586968985 IH Annotated Anodyne COc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2n1 ZINC000586968986 IH Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cn1 ZINC000586968987 IH Annotated Anodyne COc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2n1 ZINC000586968988 IH Annotated Anodyne COc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2n1 ZINC000586968990 IH Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cn1 ZINC000586968992 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(N)=O)c3[nH]2)C[C@H](C)O1 ZINC000586969129 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(N)=O)c3[nH]2)C[C@@H](C)O1 ZINC000586969130 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(N)=O)c3[nH]2)C[C@@H](C)O1 ZINC000586969132 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(Cl)c[nH]c-3n2)C[C@H](C)O1 ZINC000586969377 IH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(Cl)c[nH]c-3n2)C[C@@H](C)O1 ZINC000586969379 IH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(Cl)c[nH]c-3n2)C[C@@H](C)O1 ZINC000586969380 IH Annotated Anodyne Cc1ccc(NC(=O)CSCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586971005 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccnc(Br)c3[nH]2)cc1OC ZINC000586973999 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccnc(Br)c3[nH]2)cc1OC ZINC000586974001 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC ZINC000586974564 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC ZINC000586974568 IH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586974592 IH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586974593 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC ZINC000586974609 IH Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC ZINC000586974612 IH Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3c(Br)ccnc3[nH]2)cc1OC ZINC000586975243 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(Br)ccnc3[nH]2)cc1OC ZINC000586975244 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1OC ZINC000586975248 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1OC ZINC000586975249 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586975266 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cncc(Br)c3[nH]2)cc1OC ZINC000586975282 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cncc(Br)c3[nH]2)cc1OC ZINC000586975283 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC ZINC000586975573 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC ZINC000586975574 IH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586975599 IH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586975600 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)nc3[nH]2)cc1OC ZINC000586975648 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Br)nc3[nH]2)cc1OC ZINC000586975649 IH Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1Br ZINC000586976009 IH Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1Br ZINC000586976011 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)ncc3[nH]2)cc1OC ZINC000586976076 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)ncc3[nH]2)cc1OC ZINC000586976078 IH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000586976627 IH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(Br)c1OC ZINC000586976762 IH Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(Br)c1OC ZINC000586976771 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586977060 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC ZINC000586977114 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC ZINC000586977116 IH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC ZINC000586977196 IH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC ZINC000586977198 IH Annotated Anodyne COc1cc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1Br ZINC000586977397 IH Annotated Anodyne COc1cc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1Br ZINC000586977399 IH Annotated Anodyne N#Cc1cccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586977859 IH Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)cnc2[nH]1 ZINC000586977863 IH Annotated Anodyne Cc1nccc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586978076 IH Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2n1 ZINC000586978177 IH Annotated Anodyne Cc1cncc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978194 IH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OC ZINC000586978309 IH Annotated Reactive CCOc1cc(/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OC ZINC000586978310 IH Annotated Reactive N#Cc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586978412 IH Annotated Mild Cc1cnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586978440 IH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(O)cc2[nH]1 ZINC000586978457 IH Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(O)c2[nH]1 ZINC000586978521 IH Annotated Anodyne Cc1ccnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586978617 IH Annotated Anodyne Cc1nn(Cc2nc3ccc(I)cc3[nH]2)c(C)c1Br ZINC000586978825 IH Annotated Anodyne Cc1nn(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586978910 IH Annotated Bother Cc1nn(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1Br ZINC000586979047 IH Annotated Clean Cc1nn(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)c1Br ZINC000586979100 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 ZINC000586979149 IH Annotated Anodyne Cc1nn(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586979289 IH Annotated Bother Cc1nn(Cc2nc3cccc(I)c3[nH]2)c(C)c1Br ZINC000586979298 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccnc(Br)c2[nH]1 ZINC000586979312 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)nc2[nH]1 ZINC000586979386 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cncc(Br)c2[nH]1 ZINC000586979494 IH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1Br ZINC000586979543 IH Annotated Bother CC1=C(c2ccc3nc(-c4cc(Br)cc([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 ZINC000586979587 IH Annotated Bother CCOc1n[nH]c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1Br ZINC000586979636 IH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1Br ZINC000586979823 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586979908 IH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1Br ZINC000586979941 IH Annotated Bother CCOc1n[nH]c(-c2nc3cccc(I)c3[nH]2)c1Br ZINC000586979971 IH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(I)cc3[nH]2)c1Br ZINC000586980034 IH Annotated Anodyne CCOC(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586980123 IH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1Br ZINC000586980170 IH Annotated Clean COc1cc(Br)cc(C=O)c1OCc1nc2c(Br)ccnc2[nH]1 ZINC000586980233 IH Annotated Anodyne COC(=O)c1cc2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc2cc1OC ZINC000586980267 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)ncc2[nH]1 ZINC000586980448 IH Annotated Anodyne COC(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1OC ZINC000586980467 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586980515 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586980561 IH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586980617 IH Annotated Anodyne CC1=C(c2ccc3nc(COc4ccc(Br)cc4C)[nH]c3c2)NNC(=O)C1 ZINC000586980681 IH Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(S(N)(=O)=O)cccc2[nH]1 ZINC000586981460 IH Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(N)(=O)=O)ccc2[nH]1 ZINC000586981632 IH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586982309 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 ZINC000586982492 IH Annotated Anodyne N#Cc1nc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc-2[nH]c1C#N ZINC000586983310 IH Annotated Mild N[C@H](Cc1cccc(Br)c1)c1nc2cc(I)cnc2[nH]1 ZINC000586983569 IH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(I)cnc2[nH]1 ZINC000586983570 IH Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586983720 IH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586983721 IH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc2cc1OC ZINC000586983768 IH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586983875 IH Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586983876 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1 ZINC000586983943 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1 ZINC000586983946 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586984011 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984133 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984134 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1 ZINC000586984140 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586984218 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586984220 IH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc2cc1OC ZINC000586984264 IH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc2cc1OC ZINC000586984266 IH Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1OC ZINC000586984310 IH Annotated Anodyne O=C1COc2cc3[nH]c([C@H](c4ccc(Br)cc4)N4CCCC4)nc3cc2N1 ZINC000586984378 IH Annotated Anodyne O=C1COc2cc3[nH]c([C@@H](c4ccc(Br)cc4)N4CCCC4)nc3cc2N1 ZINC000586984379 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1 ZINC000586984636 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1 ZINC000586984637 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586984645 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586984667 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1 ZINC000586985136 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1 ZINC000586985140 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586985190 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 ZINC000586985227 IH Annotated Bother CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 ZINC000586985228 IH Annotated Bother CC(=O)N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586985294 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586985296 IH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586985545 IH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586985546 IH Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1OC ZINC000586985553 IH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1OC ZINC000586985554 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586985605 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586985606 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586985643 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586985663 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586985670 IH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000586985699 IH Annotated Anodyne Cn1ccnc1[C@](O)(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(F)(F)F ZINC000586985793 IH Annotated Anodyne Cn1ccnc1[C@@](O)(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(F)(F)F ZINC000586985795 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1 ZINC000586985864 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1 ZINC000586985865 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986030 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986031 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586986078 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586986079 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986647 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986648 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987059 IH Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000586987845 IH Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000586987846 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000586987847 IH Annotated Mild CCOC(=O)[C@@H]([C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000586987848 IH Annotated Mild COC(=O)[C@H]1c2ccc(OC)nc2Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987998 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987999 IH Annotated Anodyne CN(C)/C=C(/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)n1cc([N+](=O)[O-])cn1 ZINC000586988034 IH Annotated Bother C[C@@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)NN ZINC000586988150 IH Annotated Reactive C[C@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)NN ZINC000586988152 IH Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCN(C[C@@H]1CCCCO1)C(=O)C3 ZINC000586988904 IH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCN(C[C@H]1CCCCO1)C(=O)C3 ZINC000586988906 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989009 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2CN1 ZINC000586989170 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1 ZINC000586989171 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2CN1 ZINC000586989172 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1 ZINC000586989173 IH Annotated Anodyne CCOC(=O)CCc1c(CC(=O)OCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989445 IH Annotated Anodyne CCOC(=O)CCc1nc2ccc(O)c3c2c(c1CC(=O)OCC)-c1ccccc1C3=O ZINC000586989625 IH Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc2nc(O)[nH]c2c1 ZINC000586989679 IH Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C ZINC000586989680 IH Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586989778 IH Annotated Anodyne CCOC(=O)C[C@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000586990066 IH Annotated Anodyne CCOC(=O)C[C@@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000586990068 IH Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1C(=O)OCC)-c1ccccc1C4=O ZINC000586990496 IH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993345 IH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993348 IH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994565 IH Annotated Anodyne CS(=O)(=O)Nc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O ZINC000586994621 IH Annotated Anodyne Brc1ccc(NCCc2nc3cc(I)cnc3[nH]2)cc1 ZINC000586994789 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 ZINC000586994894 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(N)ccnc2[nH]1 ZINC000586995203 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cnncc2[nH]1 ZINC000586995212 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 ZINC000586995354 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cncnc2[nH]1 ZINC000586995664 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(N)c2[nH]1 ZINC000586995880 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586996153 IH Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586996162 IH Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996635 IH Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1)C(F)(F)F ZINC000586997152 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ncc[nH]c-2n1 ZINC000586997254 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(N)ncc2[nH]1 ZINC000586997450 IH Annotated Anodyne CC1=C(c2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586997560 IH Annotated Anodyne N[C@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586997691 IH Annotated Anodyne N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)cc1 ZINC000586997788 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 ZINC000586998238 IH Annotated Anodyne CN1CCN(c2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)CC1 ZINC000586998797 IH Annotated Anodyne CN1CCN(c2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)CC1 ZINC000586998798 IH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(C(=O)OC)ccc4[nH]3)cc2cc1Br ZINC000586999444 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586999445 IH Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000586999481 IH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cnc(C(=O)OC)cc4[nH]3)cc2cc1Br ZINC000586999505 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586999506 IH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2cc1Br ZINC000586999512 IH Annotated Bother Oc1nc(S)nc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000586999594 IH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1OC ZINC000586999751 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000586999763 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000586999764 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc(Br)cc2[nH]1 ZINC000586999771 IH Annotated Anodyne NS(=O)(=O)c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000586999772 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)nccc2[nH]1 ZINC000586999782 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586999810 IH Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3cc2N1 ZINC000586999890 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(I)cc3[nH]2)n1 ZINC000586999999 IH Annotated Anodyne CS(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000099 IH Annotated Anodyne CS(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000101 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587000146 IH Annotated Bother O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587000148 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587000154 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)n1 ZINC000587000178 IH Annotated Bother CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000201 IH Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587000257 IH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2cc1Br ZINC000587000273 IH Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000447 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)n1 ZINC000587000449 IH Annotated Clean N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587000513 IH Annotated Anodyne COC(=O)c1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1OC ZINC000587000545 IH Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/c4cc(Br)c5c(c4)OCCO5)nc3cc2N1 ZINC000587000561 IH Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\c4cc(Br)c5c(c4)OCCO5)nc3cc2N1 ZINC000587000563 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587000593 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cncc2[nH]1 ZINC000587000594 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nccc(Br)c2[nH]1 ZINC000587000631 IH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000587000636 IH Annotated Anodyne NNC(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000644 IH Annotated Reactive N#Cc1nc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2nc1C#N ZINC000587000647 IH Annotated Mild COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Cl ZINC000587000712 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587000753 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(Br)ccc2[nH]1 ZINC000587000771 IH Annotated Anodyne Brc1c[nH]c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc-2n1 ZINC000587000834 IH Annotated Anodyne Brc1c[nH]c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc-2n1 ZINC000587000836 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)n1 ZINC000587000846 IH Annotated Bother CN(C)CCOc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000882 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)n1 ZINC000587000953 IH Annotated Anodyne COC(=O)c1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1OC ZINC000587000970 IH Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587001072 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587001104 IH Annotated Anodyne N=c1[nH]c2nc(-c3cc(Br)cnc3NCc3ccccc3)nc-2c(Cl)[nH]1 ZINC000587001235 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(I)c3[nH]2)n1 ZINC000587001303 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587001385 IH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cnc(Br)cc2[nH]1 ZINC000587001400 IH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587001403 IH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587001405 IH Annotated Mild CN(C)C(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000587001423 IH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)n1 ZINC000587001443 IH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1OC ZINC000587001485 IH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587001519 IH Annotated Bother Cc1cc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2cc1[N+](=O)[O-] ZINC000587001599 IH Annotated Bother Brc1c[nH]c2nccc(-c3nc4cc(I)cnc4[nH]3)c12 ZINC000587001900 IH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2cc1OC ZINC000587002264 IH Annotated Anodyne CN(C)CCOc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587002338 IH Annotated Anodyne CN1CCN(c2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)CC1 ZINC000587002369 IH Annotated Anodyne NS(=O)(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587002596 IH Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002599 IH Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002601 IH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2nc(Br)c[nH]c-2n1 ZINC000587002748 IH Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002812 IH Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002815 IH Annotated Anodyne O=C1CCc2cc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3cc2N1 ZINC000587002886 IH Annotated Anodyne O=C1CCc2cc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3cc2N1 ZINC000587002889 IH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002917 IH Annotated Bother O=C1C[C@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002920 IH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587003004 IH Annotated Anodyne COC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1OC ZINC000587003022 IH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1OC ZINC000587003024 IH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003302 IH Annotated Anodyne CC(C)(C)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2n1 ZINC000587003374 IH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccnc4[nH]cc(Br)c34)nc-2[nH]1 ZINC000587003439 IH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2cc1OC ZINC000587003547 IH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2cc1OC ZINC000587003548 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1[N+](=O)[O-] ZINC000587003970 IH Annotated Bother COC(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1OC ZINC000587004068 IH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004386 IH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004388 IH Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004509 IH Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004510 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004527 IH Annotated Anodyne O=C1C[C@@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c2c(Br)cccc2O1 ZINC000587004836 IH Annotated Anodyne O=C1C[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c2c(Br)cccc2O1 ZINC000587004837 IH Annotated Anodyne CC(C)n1c(-c2nc3c(O)nc(S)nc3[nH]2)cc(Br)c1Br ZINC000587004860 IH Annotated Anodyne CC(C)n1c(-c2nc3nc(N)nc(Cl)c3[nH]2)cc(Br)c1Br ZINC000587004895 IH Annotated Anodyne CC(C)n1c(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)cc(Br)c1Br ZINC000587005028 IH Annotated Mild O=S(=O)(c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1)C(F)(F)F ZINC000587005610 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005657 IH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005775 IH Annotated Anodyne N#Cc1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1C#N ZINC000587005959 IH Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587005980 IH Annotated Bother Clc1c(Br)cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587006013 IH Annotated Anodyne O=c1c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006089 IH Annotated Anodyne Clc1ncc(Br)c2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006157 IH Annotated Anodyne O=c1c(-c2nc3c(S)nc(S)nc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006174 IH Annotated Anodyne Brc1n[nH]c2ccc(-c3nc4cc(I)cnc4[nH]3)cc12 ZINC000587006255 IH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006268 IH Annotated Bother O=S(=O)(c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1)C(F)(F)F ZINC000587006277 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006356 IH Annotated Anodyne O=c1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006524 IH Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3cccn4c(Br)cnc34)nc-2[nH]1 ZINC000587006604 IH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cnn4cccc(Br)c34)nc-2[nH]1 ZINC000587006671 IH Annotated Anodyne Brc1cccn2ncc(-c3nc4cc(I)cnc4[nH]3)c12 ZINC000587006764 IH Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1)C(F)(F)F ZINC000587006822 IH Annotated Anodyne O=c1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(Br)cn1Cc1ccccc1 ZINC000587007049 IH Annotated Anodyne O=c1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007074 IH Annotated Bother N[C@H](N=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 ZINC000587007136 IH Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 ZINC000587007145 IH Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007416 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007474 IH Annotated Anodyne N=c1[nH]c2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc-2c(Cl)[nH]1 ZINC000587007681 IH Annotated Anodyne Brc1cnc2c(-c3nc4ncc(I)cc4[nH]3)cccn12 ZINC000587007888 IH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnn4cc(Br)cnc34)[nH]c21 ZINC000587008112 IH Annotated Clean Oc1nc(NCc2ccccc2)c2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2[nH]1 ZINC000587008562 IH Annotated Anodyne Brc1cnc2c(-c3nc4cccc(I)c4[nH]3)cnn2c1 ZINC000587009001 IH Annotated Anodyne Brc1cnc2c(-c3nc4ccc(I)cc4[nH]3)cnn2c1 ZINC000587009312 IH Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587009470 IH Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)NC(=O)CCl)[nH]c4c3)o2)cc1 ZINC000587009835 IH Annotated Reactive CN(C)S(=O)(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587011903 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012867 IH Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587013128 IH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1 ZINC000587013839 IH Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587013859 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(O)nc(O)nc4[nH]3)cs2)cc1 ZINC000587014063 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(O)nc(N)nc4[nH]3)cs2)cc1 ZINC000587014477 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587016662 IH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016762 IH Annotated Anodyne c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1CN1CCOCC1 ZINC000587017143 IH Annotated Anodyne N=c1[nH]c2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2c(Cl)[nH]1 ZINC000587017693 IH Annotated Anodyne NNC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587018173 IH Annotated Reactive CN1CCN(c2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)CC1 ZINC000587018217 IH Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1OC ZINC000587018512 IH Annotated Anodyne Brc1c[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2n1 ZINC000587018533 IH Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587018701 IH Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3nc(Br)c[nH]c-3n2)cs1 ZINC000587018862 IH Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1OC ZINC000587018875 IH Annotated Anodyne N#Cc1nc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2nc1C#N ZINC000587018883 IH Annotated Mild O=C(Nc1nc(Cc2nc3ccnc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019072 IH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019124 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1)c1cccs1 ZINC000587019134 IH Annotated Bother Oc1nc(S)nc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587019160 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019209 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1)c1cccs1 ZINC000587019405 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)ncc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019567 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3c(F)cnc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019591 IH Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cs1 ZINC000587019596 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019889 IH Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3c2)NNC(=O)C1 ZINC000587020020 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020062 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3cncc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020069 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)nc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020092 IH Annotated Anodyne O=C(Nc1nc(Cc2nc3c(Br)ccnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020131 IH Annotated Anodyne CN1CCN(c2ccc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3c2)CC1 ZINC000587020225 IH Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)cs1 ZINC000587020344 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1 ZINC000587020667 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1 ZINC000587021337 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1 ZINC000587021339 IH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4c(I)cnc(Cl)c4[nH]3)s2)cn1 ZINC000587022070 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(F)c(Br)c3[nH]2)s1 ZINC000587023437 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)c(F)cc3[nH]2)s1 ZINC000587023455 IH Annotated Anodyne O=C(CCc1nc2ccc(F)c(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023479 IH Annotated Anodyne O=C(CCc1nc2cc(F)cc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023520 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 ZINC000587023521 IH Annotated Anodyne O=C(CCc1nc2cc(Br)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023731 IH Annotated Anodyne Cc1nc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2cc1Br ZINC000587023841 IH Annotated Anodyne O=C(CCc1nc2cccc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023855 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)s1 ZINC000587024070 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 ZINC000587024117 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc(F)c3[nH]2)s1 ZINC000587024119 IH Annotated Anodyne O=C(CCc1nc2cc(Br)cc(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024133 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 ZINC000587024261 IH Annotated Bother O=C(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024296 IH Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)s1 ZINC000587024303 IH Annotated Anodyne O=C(CCc1nc2ccc(Br)c(O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024312 IH Annotated Anodyne O=C(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024320 IH Annotated Anodyne O=C(CCc1nc2ccc(Br)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024322 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)c(F)c3[nH]2)s1 ZINC000587024347 IH Annotated Anodyne O=C(CCc1nc2ccc(Br)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024373 IH Annotated Anodyne O=C(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024381 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(F)cc(Br)c3[nH]2)s1 ZINC000587024397 IH Annotated Anodyne N#Cc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1C(F)(F)F ZINC000587024399 IH Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)s1 ZINC000587024400 IH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)s1 ZINC000587024412 IH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587024513 IH Annotated Anodyne Sc1nnc(SCc2nc3c(Br)cnc(Br)c3[nH]2)s1 ZINC000587025001 IH Annotated Anodyne Sc1nnc(SCc2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587026590 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3scnc3C)[nH]c2c1 ZINC000587027398 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027559 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027565 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027566 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027567 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027934 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027935 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027936 IH Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027938 IH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CNC(=O)c5cscn5)[nH]c4c3)o2)cc1 ZINC000587028210 IH Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)c3cscn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587028483 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4scnc4C)[nH]c3c2)cc1 ZINC000587028638 IH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587029005 IH Annotated Anodyne Cc1c(-c2nc3ncc(I)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029267 IH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587029978 IH Annotated Anodyne Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030111 IH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc12 ZINC000587030409 IH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc12 ZINC000587030410 IH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc12 ZINC000587030411 IH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc12 ZINC000587030412 IH Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 ZINC000587030418 IH Annotated Anodyne COC(=O)c1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 ZINC000587030419 IH Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 ZINC000587030420 IH Annotated Anodyne COC(=O)c1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 ZINC000587030421 IH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 ZINC000587032094 IH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 ZINC000587032095 IH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 ZINC000587032096 IH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 ZINC000587032099 IH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(-n4cnnn4)cc3[nH]1)N2 ZINC000587032627 IH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(-n4cnnn4)cc3[nH]1)N2 ZINC000587032642 IH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(-n4cnnn4)cc3[nH]1)N2 ZINC000587032646 IH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(-n4cnnn4)cc3[nH]1)N2 ZINC000587032647 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2C1 ZINC000587032711 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(O)c4[nH]3)ccc2s1 ZINC000587032754 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C#N)c4[nH]3)ccc2s1 ZINC000587032892 IH Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(O)cc4[nH]3)ccc2s1 ZINC000587032944 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2C1 ZINC000587033580 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 ZINC000587033911 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 ZINC000587033924 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(CO)cc4[nH]3)ccc2s1 ZINC000587034095 IH Annotated Anodyne O=C(NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cc2c(s1)CCC2 ZINC000587034221 IH Annotated Clean CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5cn[nH]c5cc4[nH]3)ccc2s1 ZINC000587034654 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)cnc4[nH]3)ccc2s1 ZINC000587034861 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnc(Cl)[nH]c-4n3)ccc2s1 ZINC000587035339 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4nc(Cl)c[nH]c-4n3)ccc2s1 ZINC000587035370 IH Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587035669 IH Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587035670 IH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Cl)ncnc4[nH]3)ccc2s1 ZINC000587035780 IH Annotated Anodyne Cc1nc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1Br ZINC000587036944 IH Annotated Anodyne Cc1nc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1Br ZINC000587036948 IH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037055 IH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037058 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc12 ZINC000587037237 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc12 ZINC000587037240 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(F)cnc(Br)c4[nH]3)cc12 ZINC000587037309 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(F)cnc(Br)c4[nH]3)cc12 ZINC000587037310 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C#N)cc(Br)c4[nH]3)cc12 ZINC000587037355 IH Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C#N)cc(Br)c4[nH]3)cc12 ZINC000587037358 IH Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587037980 IH Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587038020 IH Annotated Bother C=CCN1C(=O)S[C@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)C1=O ZINC000587038075 IH Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)C1=O ZINC000587038076 IH Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 ZINC000587038247 IH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587038631 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587038690 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587038694 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587038697 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587038699 IH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587038720 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587038969 IH Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)C1=O ZINC000587039042 IH Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)C1=O ZINC000587039043 IH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)C1=O ZINC000587039084 IH Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)C1=O ZINC000587039085 IH Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)c(O)c4[nH]3)cc12 ZINC000587039530 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)c(O)c4[nH]3)cc12 ZINC000587039539 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(C)c(Br)cnc4[nH]3)cc12 ZINC000587039541 IH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(C)c(Br)cnc4[nH]3)cc12 ZINC000587039543 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1 ZINC000587039963 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587040100 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000587040142 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000587040144 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587040910 IH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587041530 IH Annotated Bother CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587041531 IH Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587041536 IH Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1)C(F)(F)F ZINC000587041757 IH Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1)C(F)(F)F ZINC000587041762 IH Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1)C(F)(F)F ZINC000587041765 IH Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1)C(F)(F)F ZINC000587041767 IH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1 ZINC000587041904 IH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1 ZINC000587041905 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2c1 ZINC000587042165 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2c1 ZINC000587042167 IH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1 ZINC000587042187 IH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1 ZINC000587042188 IH Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3c2)NNC(=O)C1 ZINC000587043612 IH Annotated Anodyne CC1=C(c2ccc3nc(C[C@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3c2)NNC(=O)C1 ZINC000587043613 IH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587044090 IH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587044091 IH Annotated Anodyne O=C1CSc2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2N1 ZINC000587044166 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587044183 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587044571 IH Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587045039 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(=O)OC)ncc3[nH]2)c1 ZINC000587048214 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000587048220 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000587048427 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(=O)OC)ncc3[nH]2)c1 ZINC000587048788 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(=O)OC)ncc3[nH]2)c1 ZINC000587048789 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587049335 IH Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587049337 IH Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(C(N)=O)c3[nH]2)c1 ZINC000587050054 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(C(N)=O)c3[nH]2)c1 ZINC000587050056 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587050197 IH Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000587050416 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000587050418 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587050943 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587050959 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000587051319 IH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000587051321 IH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587052389 IH Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587053444 IH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587053446 IH Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc12 ZINC000587053570 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2n1 ZINC000587054996 IH Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587055318 IH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587055321 IH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587055898 IH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587055899 IH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587056107 IH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587056595 IH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587056597 IH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587056599 IH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587056814 IH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587056816 IH Annotated Bother O=c1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587057406 IH Annotated Anodyne Cc1cc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060656 IH Annotated Mild Nc1ncc(-c2nc3cc(I)cnc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061270 IH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061399 IH Annotated Anodyne Nc1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(-c2ccccc2Cl)n1 ZINC000587061626 IH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587061682 IH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587061684 IH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062057 IH Annotated Bother CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062089 IH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=N)N)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062518 IH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(CCO)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062731 IH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063235 IH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063676 IH Annotated Bother COCCN1C(=O)CC[C@H](c2nc3c(S)nc(S)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063728 IH Annotated Anodyne O=c1cccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063921 IH Annotated Anodyne O=c1cccc(-c2nc3nc(Br)c[nH]c-3n2)n1CCOc1ccccc1Cl ZINC000587064107 IH Annotated Anodyne O=C(O)c1cc(F)cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587064832 IH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(I)cnc2[nH]1 ZINC000587065056 IH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1Cl ZINC000587065163 IH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587065666 IH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587065746 IH Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c(C)c1Cl ZINC000587065765 IH Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587067749 IH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068732 IH Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587070055 IH Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587070058 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587073007 IH Annotated Anodyne Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587073085 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587073227 IH Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1)N1CCOCC1 ZINC000587073286 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587073661 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4nnn(Cc5ccc(Cl)cc5)c4C)[nH]c3c2)NNC(=O)C1 ZINC000587074258 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587074936 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075128 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075130 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075544 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075551 IH Annotated Anodyne CC1=C(c2ccc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3c2)NNC(=O)C1 ZINC000587077574 IH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4nc(C#N)c(C#N)nc4[nH]3)c(Cl)cc12 ZINC000587078284 IH Annotated Mild CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4nc(C#N)c(C#N)nc4[nH]3)c(Cl)cc12 ZINC000587078293 IH Annotated Mild Cc1onc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078835 IH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587079151 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587079155 IH Annotated Anodyne Cc1onc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079408 IH Annotated Bother Cc1onc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079671 IH Annotated Bother Cc1onc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079768 IH Annotated Bother Cc1onc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079813 IH Annotated Bother Cc1onc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079848 IH Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(I)cnc2[nH]1 ZINC000587080184 IH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(I)cnc2[nH]1 ZINC000587080192 IH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587080351 IH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587080359 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587081268 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587081582 IH Annotated Anodyne O=C(CCCc1nc2cc(I)cnc2[nH]1)c1ccc(Cl)cn1 ZINC000587081637 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1 ZINC000587082617 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1 ZINC000587082618 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)n4cc(Cl)cn4)[nH]c3c2)cc1 ZINC000587083057 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)n4cc(Cl)cn4)[nH]c3c2)cc1 ZINC000587083058 IH Annotated Anodyne Clc1nccnc1N1CCC(c2nc3cccc(I)c3[nH]2)CC1 ZINC000587084913 IH Annotated Anodyne O=S(=O)(c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1)C(F)(F)F ZINC000587085314 IH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085518 IH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)ncc2[nH]1 ZINC000587086503 IH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)nc2[nH]1 ZINC000587086735 IH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccnc(Br)c2[nH]1 ZINC000587086927 IH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncc(Br)c2[nH]1 ZINC000587086963 IH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cnc2[nH]1 ZINC000587086976 IH Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cnncc5[nH]4)(C3)C1)C2 ZINC000587087256 IH Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cncnc5[nH]4)(C3)C1)C2 ZINC000587087567 IH Annotated Anodyne Nc1nccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087569 IH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)ccnc2[nH]1 ZINC000587087904 IH Annotated Mild Nc1ccnc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587088160 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587088713 IH Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ncc[nH]c-5n4)(C3)C1)C2 ZINC000587088862 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587088989 IH Annotated Anodyne Nc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cn1 ZINC000587089040 IH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587089227 IH Annotated Mild CCOC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089279 IH Annotated Mild O=C1CCc2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c3cc2N1 ZINC000587089462 IH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587089745 IH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587089748 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 ZINC000587089803 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(F)(F)c4ccccn4)[nH]c3c2)cc1 ZINC000587089904 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090364 IH Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090440 IH Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587090858 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000587090949 IH Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)nn1CC(F)(F)F ZINC000587091088 IH Annotated Bother O=C1COc2cc3nc(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)[nH]c3cc2N1 ZINC000587091147 IH Annotated Anodyne COc1nccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587091148 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(N)c(N)cc3[nH]2)CC1 ZINC000587091183 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnc(Cl)[nH]c-3n2)CC1 ZINC000587091230 IH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c21 ZINC000587091277 IH Annotated Clean CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(=N)N)cc3[nH]2)CC1 ZINC000587091300 IH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091504 IH Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091736 IH Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Cl)ncnc3[nH]2)CC1 ZINC000587091789 IH Annotated Anodyne COc1cncc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587091799 IH Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587091962 IH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)nn1CC(F)(F)F ZINC000587092014 IH Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(CO)cc3[nH]2)CC1 ZINC000587092028 IH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)nn1CC(F)(F)F ZINC000587092085 IH Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)nn1CC(F)(F)F ZINC000587092093 IH Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000587092143 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587092218 IH Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3nc(Cl)c[nH]c-3n2)CC1 ZINC000587092220 IH Annotated Anodyne COc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cn1 ZINC000587092738 IH Annotated Anodyne COc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2n1 ZINC000587092801 IH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587092945 IH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587092949 IH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cccc(I)c3[nH]2)nn1CC(F)(F)F ZINC000587093088 IH Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(I)cc3[nH]2)nn1CC(F)(F)F ZINC000587093298 IH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(F)(F)F ZINC000587093637 IH Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(F)(F)F ZINC000587093638 IH Annotated Bother Cc1csc([C@](O)(Cc2nc3c(F)cnc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094082 IH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(F)cnc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094083 IH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C(F)(F)F)n1 ZINC000587094246 IH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C(F)(F)F)n1 ZINC000587094247 IH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(C#N)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094322 IH Annotated Mild Cc1csc([C@](O)(Cc2nc3cc(C#N)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094323 IH Annotated Mild Cc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1C(F)(F)F ZINC000587095561 IH Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098417 IH Annotated Anodyne CCOC(=O)C1=C[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N ZINC000587098813 IH Annotated Anodyne CCOC(=O)C1=C[C@@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N ZINC000587098817 IH Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098990 IH Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098993 IH Annotated Anodyne CC(=O)C(OO[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000587099225 IH Annotated Reactive CC(=O)C(OO[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000587099226 IH Annotated Reactive CCOC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000587101068 IH Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000587101073 IH Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000587101077 IH Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000587101079 IH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](N1CCS(=O)(=O)CC1)CCC4)-c1ccccc1C2=O ZINC000587101201 IH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](N1CCS(=O)(=O)CC1)CCC4)-c1ccccc1C2=O ZINC000587101204 IH Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105371 IH Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105372 IH Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106178 IH Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106179 IH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106180 IH Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106181 IH Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2C[C@@H]1C(=O)O ZINC000587107350 IH Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2C[C@@H]1C(=O)O ZINC000587107353 IH Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2C[C@H]1C(=O)O ZINC000587107355 IH Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2C[C@H]1C(=O)O ZINC000587107357 IH Annotated Anodyne COc1nccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107887 IH Annotated Anodyne COc1nccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107890 IH Annotated Anodyne COc1cncc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587108170 IH Annotated Anodyne COc1cncc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587108173 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 ZINC000587108974 IH Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587109012 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 ZINC000587109324 IH Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(I)cnc2[nH]1 ZINC000587109332 IH Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587109417 IH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587111280 IH Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)n2)cc1 ZINC000587111364 IH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587111816 IH Annotated Mild COC(=O)c1cc2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2cc1OC ZINC000587111887 IH Annotated Anodyne COC(=O)c1cc2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2cc1OC ZINC000587111902 IH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587111965 IH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587111977 IH Annotated Anodyne Oc1c(Br)ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587112008 IH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587112555 IH Annotated Bother CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587112558 IH Annotated Bother O=C(CSCc1nc2nc(Br)c[nH]c-2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112799 IH Annotated Anodyne Fc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1-n1cccn1 ZINC000587112852 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112855 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587112856 IH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587112889 IH Annotated Anodyne Cc1nc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1Br ZINC000587113339 IH Annotated Anodyne Fc1cnc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587113343 IH Annotated Anodyne O=C(CSCc1nc2c(S)nc(S)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113810 IH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587113959 IH Annotated Anodyne O=C(CSCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccc(C(F)(F)F)cc1 ZINC000587114193 IH Annotated Anodyne COC(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1OC ZINC000587114261 IH Annotated Anodyne COC(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1OC ZINC000587114262 IH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(O)nc(S)nc4[nH]3)nc2n1 ZINC000587114542 IH Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115069 IH Annotated Bother CCOC(=O)c1cnn(-c2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)c1C(F)(F)F ZINC000587115113 IH Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4nc(C#N)c(C#N)nc4[nH]3)nc2n1 ZINC000587115321 IH Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)nc2n1 ZINC000587115400 IH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)NN)cc4[nH]3)nc2n1 ZINC000587115513 IH Annotated Reactive CN(C)S(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587115902 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116237 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587116263 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587116267 IH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587116281 IH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587116389 IH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587116405 IH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587116567 IH Annotated Bother CS(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116632 IH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587116747 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587116915 IH Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(I)cnc3[nH]2)n1 ZINC000587117080 IH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)ncc3[nH]2)cc1Br ZINC000587117124 IH Annotated Anodyne O=S(=O)(c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1)C(F)(F)F ZINC000587117338 IH Annotated Anodyne Cc1nc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1Br ZINC000587117446 IH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccnc(Br)c3[nH]2)cc1Br ZINC000587117457 IH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587117492 IH Annotated Bother CN(C)CCOc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117552 IH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(I)cnc2[nH]1 ZINC000587117553 IH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587117558 IH Annotated Mild COC(=O)c1cc(Cl)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587117613 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587117663 IH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1Br ZINC000587117756 IH Annotated Anodyne O=C1COc2cc3[nH]c(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)nc3cc2N1 ZINC000587117868 IH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587117879 IH Annotated Bother CCOC(=O)Cc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117915 IH Annotated Anodyne COC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1OC ZINC000587118036 IH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Br)nc3[nH]2)cc1Br ZINC000587118119 IH Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)no2)n1 ZINC000587118143 IH Annotated Anodyne COC(=O)c1ccnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 ZINC000587118309 IH Annotated Bother O=[N+]([O-])c1cnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587118381 IH Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(Br)cnc3[nH]2)cc1Br ZINC000587118418 IH Annotated Anodyne O=C1CCc2cc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3cc2N1 ZINC000587118467 IH Annotated Anodyne Fc1cnc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 ZINC000587118473 IH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)ccnc3[nH]2)cc1Br ZINC000587118474 IH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000587118521 IH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3c(I)cnc(Cl)c3[nH]2)n1 ZINC000587118861 IH Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 ZINC000587118875 IH Annotated Anodyne CCOC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118883 IH Annotated Anodyne COC(=O)c1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1OC ZINC000587119099 IH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587119153 IH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc-2[nH]1 ZINC000587119229 IH Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2n1 ZINC000587119231 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587119382 IH Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119517 IH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cncc(Br)c3[nH]2)cc1Br ZINC000587119525 IH Annotated Anodyne FC(F)(F)c1ncc2nc(CCn3cc(Br)c(C(F)(F)F)n3)nc-2[nH]1 ZINC000587119556 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587119557 IH Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119618 IH Annotated Bother Oc1nc(NCc2ccccc2)c2nc(Cn3nc(C(F)(F)F)cc3C3CC3)nc-2[nH]1 ZINC000587119727 IH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(I)cnc3[nH]2)c2c1CCCC2 ZINC000587120113 IH Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(I)cnc2[nH]1 ZINC000587120257 IH Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)n2n1 ZINC000587120470 IH Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120651 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587120785 IH Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587120796 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587120820 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587120831 IH Annotated Anodyne COc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Cl ZINC000587120882 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587120970 IH Annotated Bother Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587120992 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587121001 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587121013 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(Br)c2[nH]1 ZINC000587121052 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587121071 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)cc2[nH]1 ZINC000587121105 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587121164 IH Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Cl)ncc(I)c3[nH]2)n1 ZINC000587123379 IH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2N1 ZINC000587123500 IH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2N1 ZINC000587123501 IH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2N1 ZINC000587123510 IH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2N1 ZINC000587123511 IH Annotated Anodyne Cc1cc(-c2nc3c(Br)nccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123796 IH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(I)cnc4[nH]3)cc2N1 ZINC000587124015 IH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(I)cnc4[nH]3)cc2N1 ZINC000587124016 IH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(I)cnc4[nH]3)cc2N1 ZINC000587124018 IH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(I)cnc4[nH]3)cc2N1 ZINC000587124019 IH Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124061 IH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c1OC ZINC000587124188 IH Annotated Anodyne Cc1cc(-c2nc3c(Br)cncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124190 IH Annotated Anodyne Cc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124643 IH Annotated Anodyne Cc1cc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124820 IH Annotated Anodyne Cc1cc(-c2nc3cnc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125350 IH Annotated Anodyne Cc1cc(-c2nc3nc(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125800 IH Annotated Anodyne Cc1cc(-c2nc3nccc(Br)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125808 IH Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587127022 IH Annotated Mild O=S(=O)(c1ncccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127114 IH Annotated Mild CC1=C(c2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)NNC(=O)C1 ZINC000587127430 IH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1)C(F)(F)F ZINC000587127536 IH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Cl)ncc(Br)c2[nH]1)C(F)(F)F ZINC000587127608 IH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2ncc(Br)c(Cl)c2[nH]1)C(F)(F)F ZINC000587127620 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)cc(F)c5[nH]4)nc3n2)cn1 ZINC000587127830 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)cnc5[nH]4)nc3n2)cn1 ZINC000587127883 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(F)cc5[nH]4)nc3n2)cn1 ZINC000587127947 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128004 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(F)c5[nH]4)nc3n2)cn1 ZINC000587128319 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587128353 IH Annotated Anodyne Cc1ccc2c(ccc3nc(Cn4c(=O)cc(C(F)(F)F)c5c(C)nn(C)c54)[nH]c32)n1 ZINC000587128640 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)ncc5[nH]4)nc3n2)cn1 ZINC000587128910 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccnc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128966 IH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cncnc5[nH]4)c3n2)cnn1C ZINC000587128996 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Cl)nc5[nH]4)nc3n2)cn1 ZINC000587129250 IH Annotated Anodyne C[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129253 IH Annotated Anodyne C[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129254 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 ZINC000587129355 IH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(N)ccnc5[nH]4)c3n2)cnn1C ZINC000587129368 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(F)c(F)c5[nH]4)nc3n2)cn1 ZINC000587129460 IH Annotated Anodyne FC(F)c1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cnc2ncnn12 ZINC000587129463 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Cl)ccnc5[nH]4)nc3n2)cn1 ZINC000587129480 IH Annotated Anodyne C[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129604 IH Annotated Anodyne C[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129607 IH Annotated Anodyne Cn1nc(-c2nc3nc(N)nc(Cl)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129742 IH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccnc(N)c5[nH]4)c3n2)cnn1C ZINC000587129925 IH Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1OC(F)F ZINC000587129938 IH Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1OC(F)F ZINC000587129939 IH Annotated Anodyne Cn1nc(-c2nc3c(O)nc(S)nc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130035 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2c1 ZINC000587130494 IH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(N)ncc5[nH]4)c3n2)cnn1C ZINC000587130550 IH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cnncc5[nH]4)c3n2)cnn1C ZINC000587130635 IH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1OC(F)F ZINC000587130703 IH Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1OC(F)F ZINC000587130704 IH Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ncc[nH]c-5n4)c3n2)cnn1C ZINC000587130842 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(OC)cc5[nH]4)nc3n2)cn1 ZINC000587130941 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(C)nc(C)cc5[nH]4)nc3n2)cn1 ZINC000587131225 IH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(OC)c5[nH]4)nc3n2)cn1 ZINC000587131365 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C(F)(F)C1 ZINC000587131896 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C(F)(F)C1 ZINC000587131900 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C(F)(F)C1 ZINC000587131949 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C(F)(F)C1 ZINC000587131950 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C(F)(F)C1 ZINC000587132799 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C(F)(F)C1 ZINC000587132800 IH Annotated Anodyne Cc1c(Br)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1C ZINC000587134044 IH Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134340 IH Annotated Mild Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134358 IH Annotated Anodyne Cc1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134612 IH Annotated Anodyne Cc1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587134656 IH Annotated Anodyne Nc1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3c2)cc1 ZINC000587134660 IH Annotated Clean O=S(=O)(NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134929 IH Annotated Mild Cc1c(Br)ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134950 IH Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134970 IH Annotated Anodyne O=S(=O)(NCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)c(F)c1F ZINC000587135642 IH Annotated Bother O=S(=O)(NCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135824 IH Annotated Bother Cc1cc(N(C)Cc2nc3cc(I)cnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136263 IH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587136577 IH Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136882 IH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587137151 IH Annotated Bother Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137220 IH Annotated Bother Cc1cc(N(C)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c([N+](=O)[O-])cc1F ZINC000587137411 IH Annotated Bother NS(=O)(=O)c1cccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 ZINC000587138771 IH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 ZINC000587138941 IH Annotated Anodyne COc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cn1 ZINC000587140128 IH Annotated Anodyne COc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cn1 ZINC000587140129 IH Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587140132 IH Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587140133 IH Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587140419 IH Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587140422 IH Annotated Bother O=[N+]([O-])c1cncc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140549 IH Annotated Bother COc1cncc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587140966 IH Annotated Anodyne COc1cncc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587140967 IH Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587140994 IH Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587140995 IH Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cc(F)ccc1F ZINC000587141085 IH Annotated Anodyne COc1ccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2n1 ZINC000587141769 IH Annotated Anodyne COc1ccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2n1 ZINC000587141771 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(N)ncnc2[nH]1 ZINC000587141825 IH Annotated Anodyne COc1nccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587141880 IH Annotated Anodyne COc1nccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587141881 IH Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587141970 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4cc(N)ccc4F)[nH]c3c2)cc1 ZINC000587141992 IH Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587142024 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587142139 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cnnc(O)c2[nH]1 ZINC000587142154 IH Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587142163 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(O)ncnc2[nH]1 ZINC000587142310 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 ZINC000587142362 IH Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587142365 IH Annotated Anodyne N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145311 IH Annotated Anodyne N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145313 IH Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(F)c1 ZINC000587145789 IH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C(=O)OC)ccnc4[nH]3)cc2)cc1F ZINC000587146968 IH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587147215 IH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(=O)OC)ncc4[nH]3)cc2)cc1F ZINC000587147282 IH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(=O)OC)nc4[nH]3)cc2)cc1F ZINC000587147727 IH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(I)cc2[nH]1 ZINC000587147916 IH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(F)c2)c1 ZINC000587147939 IH Annotated Anodyne O=C1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147983 IH Annotated Anodyne O=C1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147985 IH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587148426 IH Annotated Bother N#Cc1cc(Br)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587149117 IH Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587149141 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 ZINC000587150005 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)cc1 ZINC000587150222 IH Annotated Anodyne O=C1C[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CN1Cc1ccc(F)cc1F ZINC000587150889 IH Annotated Anodyne O=C1C[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CN1Cc1ccc(F)cc1F ZINC000587150890 IH Annotated Anodyne O=C(COc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1)Nc1ccccc1F ZINC000587153713 IH Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587153773 IH Annotated Anodyne O=C(COc1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccccc1F ZINC000587154839 IH Annotated Anodyne O=C1COc2cc3[nH]c(-c4cccc(S(=O)(=O)Nc5ccccc5F)c4)nc3cc2N1 ZINC000587155230 IH Annotated Anodyne O=C(COc1ccccc1-c1nc2nc(Br)c[nH]c-2n1)Nc1ccccc1F ZINC000587155339 IH Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587155377 IH Annotated Anodyne CCCc1nc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156017 IH Annotated Anodyne COc1cc(-c2nc3cc(I)cnc3[nH]2)nn1-c1ccccc1F ZINC000587156306 IH Annotated Anodyne CCCc1nc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nn1-c1ccccc1F ZINC000587156308 IH Annotated Anodyne O=C(O)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156894 IH Annotated Anodyne CCCc1nc(-c2nc3ncc(I)cc3[nH]2)nn1-c1ccccc1F ZINC000587157090 IH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587157528 IH Annotated Bother N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157814 IH Annotated Anodyne N[C@@]1(c2nc3c(Br)cnc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587157817 IH Annotated Anodyne N[C@@]1(c2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157819 IH Annotated Anodyne N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587157821 IH Annotated Anodyne OCCc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157913 IH Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157998 IH Annotated Bother Oc1nc2cc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3cc2[nH]1 ZINC000587158014 IH Annotated Anodyne O=C(O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587158386 IH Annotated Anodyne N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158903 IH Annotated Anodyne N[C@@]1(c2nc3c(I)cnc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587158904 IH Annotated Anodyne N[C@@]1(c2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158905 IH Annotated Anodyne N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587158907 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159423 IH Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587159779 IH Annotated Bother N#Cc1nc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2nc1C#N ZINC000587160829 IH Annotated Mild Fc1cccc(Cn2nnc(-c3nc4c(F)cnc(Br)c4[nH]3)c2Cl)c1 ZINC000587160970 IH Annotated Anodyne O=C1CC=C(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162434 IH Annotated Bother O=C1CC=C(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162494 IH Annotated Bother O=C(CCc1nc2c(I)cnc(Cl)c2[nH]1)Nc1cccc(F)c1 ZINC000587163358 IH Annotated Anodyne Nc1ccc(-c2ccc3nc(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)[nH]c3c2)cc1N ZINC000587163887 IH Annotated Anodyne O=C1CC=C(c2nc3c(Br)cnc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163918 IH Annotated Anodyne O=C1CC=C(c2nc3cccc(I)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164125 IH Annotated Anodyne O=C1CC=C(c2nc3ccc(I)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164359 IH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 ZINC000587164383 IH Annotated Mild O=C1CC=C(c2nc3c(Cl)c(Br)cnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164576 IH Annotated Anodyne N=c1[nH]c2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc-2c(Cl)[nH]1 ZINC000587165424 IH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(O)nc(S)nc3[nH]2)c1C ZINC000587165841 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587165984 IH Annotated Anodyne NNC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166026 IH Annotated Reactive N#Cc1nc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2nc1C#N ZINC000587166099 IH Annotated Mild Oc1nc(S)nc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 ZINC000587166224 IH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1C ZINC000587166286 IH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(=O)NN)cc3[nH]2)c1C ZINC000587166395 IH Annotated Reactive O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587167281 IH Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587167417 IH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167447 IH Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167448 IH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc-2[nH]1 ZINC000587167785 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3c2)NNC(=O)C1 ZINC000587168381 IH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587168499 IH Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(I)cnc4[nH]3)c2C2CC2)cc1 ZINC000587168713 IH Annotated Anodyne CN(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169416 IH Annotated Anodyne CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169418 IH Annotated Clean O=[N+]([O-])c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F ZINC000587169627 IH Annotated Bother O=[N+]([O-])c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F ZINC000587169628 IH Annotated Bother Cc1c(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1C ZINC000587169640 IH Annotated Anodyne CN(Cc1nc2cc(Cl)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169652 IH Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F ZINC000587169679 IH Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F ZINC000587169680 IH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169687 IH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169688 IH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169726 IH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169727 IH Annotated Anodyne COC(=O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169754 IH Annotated Anodyne COC(=O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169755 IH Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccccc4NS(=O)(=O)c4ccc(F)cc4)nc3cc2N1 ZINC000587169911 IH Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1OC ZINC000587170070 IH Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1OC ZINC000587170071 IH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170077 IH Annotated Anodyne COC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170078 IH Annotated Anodyne O=C1COc2cc3[nH]c(-c4sccc4NS(=O)(=O)c4ccc(F)cc4)nc3cc2N1 ZINC000587170155 IH Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587170157 IH Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1 ZINC000587170258 IH Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587170280 IH Annotated Anodyne CN(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170314 IH Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170801 IH Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170803 IH Annotated Mild O=S(=O)(Nc1ccsc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)cc1 ZINC000587170852 IH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)cc1 ZINC000587170978 IH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)cc1 ZINC000587170982 IH Annotated Anodyne CN(Cc1nc2cc(Br)cc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171017 IH Annotated Anodyne Cc1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587171173 IH Annotated Bother Cc1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587171174 IH Annotated Bother O=[N+]([O-])c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587171250 IH Annotated Bother O=[N+]([O-])c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587171252 IH Annotated Bother O=C(O)c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F ZINC000587171349 IH Annotated Anodyne O=C(O)c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F ZINC000587171350 IH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587171386 IH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587171387 IH Annotated Anodyne N#Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C#N ZINC000587171418 IH Annotated Mild N#Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C#N ZINC000587171419 IH Annotated Mild O=[N+]([O-])c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587171641 IH Annotated Bother O=[N+]([O-])c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587171642 IH Annotated Bother C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587171785 IH Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587171800 IH Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587171806 IH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccnc4[nH]2)cn3C2CC2)C1 ZINC000587171982 IH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccnc4[nH]2)cn3C2CC2)C1 ZINC000587171985 IH Annotated Anodyne O=c1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172028 IH Annotated Anodyne Fc1cc2c(c(Cc3nc4c(I)cnc(Cl)c4[nH]3)c1)OCOC2 ZINC000587172209 IH Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnccc4[nH]2)cn3C2CC2)C1 ZINC000587172522 IH Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnccc4[nH]2)cn3C2CC2)C1 ZINC000587172523 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 ZINC000587172650 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 ZINC000587172651 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1OC ZINC000587172748 IH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2cc1OC ZINC000587172930 IH Annotated Anodyne O=c1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173460 IH Annotated Bother CC1=C(c2ccc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3c2)NNC(=O)C1 ZINC000587173469 IH Annotated Anodyne C[C@@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173687 IH Annotated Anodyne C[C@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173688 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(F)cnc3OC)nc2c1 ZINC000587176361 IH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587177896 IH Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587178142 IH Annotated Unstable Ic1ccc(-c2nc3cccnc3[nH]2)cc1I ZINC000587178463 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587178640 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587178693 IH Annotated Anodyne N=c1[nH]c2nc(-c3ccc(C(F)(F)F)cc3I)nc-2c(Cl)[nH]1 ZINC000587178924 IH Annotated Anodyne Ic1ccc(I)c(-c2nc3cnccc3[nH]2)c1 ZINC000587178961 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587178994 IH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2c1 ZINC000587179096 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000587179114 IH Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587179200 IH Annotated Anodyne Ic1ccc(-c2nc3cnccc3[nH]2)cc1I ZINC000587179290 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587179345 IH Annotated Anodyne Ic1ccc(I)c(-c2nc3cccnc3[nH]2)c1 ZINC000587179498 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587179686 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587179706 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(OC)cc3I)[nH]c2c1OC ZINC000587179781 IH Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(I)c1 ZINC000587179839 IH Annotated Bother Cn1nc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587179870 IH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587180111 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587180411 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587180466 IH Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)cc(Cl)cc2[nH]1 ZINC000587180491 IH Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(I)c1C(=O)O ZINC000587180518 IH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(OC)cc3I)nc2cc1OC ZINC000587180769 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587180953 IH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 ZINC000587181013 IH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 ZINC000587181014 IH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587181038 IH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587181039 IH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(C(=O)O)cc2[nH]1 ZINC000587181155 IH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(C(=O)O)cc2[nH]1 ZINC000587181157 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587181281 IH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587181410 IH Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2c(C#N)nc(Cl)cc2[nH]1 ZINC000587181469 IH Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2c(C#N)nc(Cl)cc2[nH]1 ZINC000587181471 IH Annotated Mild CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 ZINC000587181495 IH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 ZINC000587181497 IH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587181525 IH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587181526 IH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587181606 IH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587181607 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 ZINC000587181722 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)n3ncc(I)c3C)nc12 ZINC000587181723 IH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587181741 IH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587181742 IH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 ZINC000587181951 IH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587182018 IH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587182019 IH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(I)ccc3F)nc2cc1OC ZINC000587182100 IH Annotated Anodyne Clc1ccc(I)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587182138 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(I)ccc4F)[nH]c3c2)NNC(=O)C1 ZINC000587182403 IH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c1 ZINC000587182598 IH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)n3ncc(I)c3C)nc2c1 ZINC000587182607 IH Annotated Anodyne Clc1cc(I)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587182647 IH Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587182915 IH Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(I)ccc4Cl)nc3cc2N1 ZINC000587183000 IH Annotated Anodyne Cc1nc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2cc1Br ZINC000587183062 IH Annotated Anodyne Cc1nc2[nH]c([C@H](C)n3ncc(I)c3C)nc2cc1Br ZINC000587183063 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1OC ZINC000587183288 IH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587183356 IH Annotated Bother Cc1c(I)cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587183450 IH Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587183451 IH Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587183647 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587183648 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183691 IH Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183692 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587183878 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587183879 IH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587183970 IH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587183971 IH Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(Cl)cc(I)c4)nc3cc2N1 ZINC000587184005 IH Annotated Anodyne CC[C@H](c1nc2cc(OC)c(OC)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184033 IH Annotated Anodyne CC[C@@H](c1nc2cc(OC)c(OC)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184034 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587184102 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587184103 IH Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)n1cc(I)c(C)n1 ZINC000587184110 IH Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)n1cc(I)c(C)n1 ZINC000587184117 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587184141 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587184142 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587184152 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587184153 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587184185 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587184186 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587184189 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587184190 IH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184280 IH Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587184340 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587184342 IH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cncc(I)c3)nc1-2 ZINC000587184402 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587184452 IH Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587184458 IH Annotated Bother CC[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184567 IH Annotated Anodyne CC[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184568 IH Annotated Anodyne CC[C@H](c1nc2cc(Br)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587184582 IH Annotated Anodyne CC[C@@H](c1nc2cc(Br)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587184583 IH Annotated Anodyne CC[C@@H](c1nc2ccnc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184597 IH Annotated Anodyne CC[C@H](c1nc2ccnc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184598 IH Annotated Anodyne Ic1cncc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587184650 IH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587184661 IH Annotated Mild Brc1c[nH]c2nc(/C=C\c3cccc(I)c3)nc-2n1 ZINC000587184702 IH Annotated Anodyne Brc1c[nH]c2nc(/C=C/c3cccc(I)c3)nc-2n1 ZINC000587184703 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587184704 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587184705 IH Annotated Anodyne CC[C@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184847 IH Annotated Mild CC[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184849 IH Annotated Mild CC[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184870 IH Annotated Anodyne CC[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184871 IH Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc(I)c(C)n1 ZINC000587184929 IH Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc(I)c(C)n1 ZINC000587184931 IH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184967 IH Annotated Bother CC[C@H](c1nc2cc(OC)cc(OC)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184982 IH Annotated Anodyne CC[C@@H](c1nc2cc(OC)cc(OC)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184984 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587185157 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587185158 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587185187 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587185188 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587185195 IH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587185196 IH Annotated Anodyne CC[C@H](c1nc2cncc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185369 IH Annotated Anodyne CC[C@@H](c1nc2cncc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185370 IH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2c1 ZINC000587185376 IH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2c1 ZINC000587185378 IH Annotated Anodyne CC[C@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185817 IH Annotated Bother CC[C@@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185821 IH Annotated Bother CC[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)n1cc(I)c(C)n1 ZINC000587185919 IH Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)n1cc(I)c(C)n1 ZINC000587185923 IH Annotated Anodyne CC[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185955 IH Annotated Bother CC[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185956 IH Annotated Bother Brc1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186052 IH Annotated Anodyne Brc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1 ZINC000587186076 IH Annotated Anodyne CC[C@@H](c1nc2c(Br)ccnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186139 IH Annotated Anodyne CC[C@H](c1nc2c(Br)ccnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186140 IH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587186258 IH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587186260 IH Annotated Anodyne Brc1ccnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587186275 IH Annotated Anodyne Brc1cncc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186281 IH Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186376 IH Annotated Anodyne CC[C@H](c1nc2cc(Br)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587186470 IH Annotated Anodyne CC[C@@H](c1nc2cc(Br)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587186471 IH Annotated Anodyne CC[C@@H](c1nc2ccc(Br)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587186553 IH Annotated Anodyne CC[C@H](c1nc2ccc(Br)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587186554 IH Annotated Anodyne Fc1c(Br)cc2nc(-c3nccnc3I)[nH]c2c1F ZINC000587186644 IH Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3nccnc3I)[nH]c2cn1 ZINC000587186727 IH Annotated Anodyne Brc1nccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186800 IH Annotated Anodyne Brc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 ZINC000587186844 IH Annotated Anodyne Fc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1-n1cccn1 ZINC000587187891 IH Annotated Anodyne Ic1cnc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cn12 ZINC000587188428 IH Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1 ZINC000587188681 IH Annotated Anodyne FC1(F)Oc2cc3nc(-c4ccc5ncc(I)n5c4)[nH]c3cc2O1 ZINC000587188751 IH Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587189071 IH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587190059 IH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587190062 IH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587190664 IH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587190665 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc(C#N)cc3)[nH]c2c1 ZINC000587190689 IH Annotated Mild C[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C ZINC000587190899 IH Annotated Anodyne C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C ZINC000587190900 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587191538 IH Annotated Mild O=C(O)CCN(CCc1nc2ccc(I)cc2[nH]1)Cc1ccccc1 ZINC000587193184 IH Annotated Anodyne CN(CCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193200 IH Annotated Anodyne Nc1ccc(-c2ccc3nc(CCN(CCC(=O)O)Cc4ccccc4)[nH]c3c2)cc1N ZINC000587193224 IH Annotated Anodyne CN(CCO)c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000587193283 IH Annotated Clean O=C(O)CCN(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000587193308 IH Annotated Bother O=C(O)CCN(CCc1nc2cccc(I)c2[nH]1)Cc1ccccc1 ZINC000587193322 IH Annotated Anodyne O=C(O)CCN(CCc1nc2c(Br)cnc(Cl)c2[nH]1)Cc1ccccc1 ZINC000587193338 IH Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)Cc1ccccc1 ZINC000587193411 IH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587193722 IH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587193723 IH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 ZINC000587193997 IH Annotated Mild O=C(O)CCN(CCc1nc2c(Cl)c(Br)cnc2[nH]1)Cc1ccccc1 ZINC000587194035 IH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587194106 IH Annotated Bother CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587194107 IH Annotated Bother CN(CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194108 IH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587194112 IH Annotated Bother CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587194113 IH Annotated Bother CN(CCc1nc2nc(C#N)c(C#N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194118 IH Annotated Mild CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587194127 IH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587194128 IH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587194219 IH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587194221 IH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c(O)c2[nH]1)C[C@H]1CCCO1 ZINC000587196665 IH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c(O)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196666 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587196704 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587196709 IH Annotated Anodyne Cc1nc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2cc1Br ZINC000587196910 IH Annotated Anodyne Cc1nc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2cc1Br ZINC000587196911 IH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C[C@H]1CCCO1 ZINC000587197524 IH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C[C@@H]1CCCO1 ZINC000587197525 IH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(F)cnc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197919 IH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(F)cnc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587197922 IH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587197994 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1OC ZINC000587198414 IH Annotated Anodyne CC(C)[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198550 IH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587198668 IH Annotated Bother CC(C)[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198953 IH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2cc1OC ZINC000587199037 IH Annotated Anodyne C[C@@H](c1nc2c(O)nc(O)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200364 IH Annotated Anodyne CC1=C(c2ccc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587201673 IH Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587202087 IH Annotated Anodyne CCCCOc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587202519 IH Annotated Anodyne CCCCOc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587202522 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(C(=N)NC(=O)OC(C)(C)C)c4)[nH]c3c2)NNC(=O)C1 ZINC000587204615 IH Annotated Anodyne CC1=C(c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587205401 IH Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587205402 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(C)=O)c3ccc(C)cc3)nc2c1 ZINC000587206229 IH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(C)cc3)nc2c1 ZINC000587206233 IH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 ZINC000587206381 IH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 ZINC000587206384 IH Annotated Anodyne COc1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O ZINC000587208478 IH Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208509 IH Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4S3(=O)=O)nc3cccc1c23 ZINC000587208970 IH Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000587209715 IH Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000587209716 IH Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000587209717 IH Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000587209718 IH Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209873 IH Annotated Anodyne COC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587210462 IH Annotated Bother COC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587210463 IH Annotated Bother COC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587210464 IH Annotated Bother COC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587210465 IH Annotated Bother COC(=O)[C@]1(Cc2c(C)nc3cccc4c3c2CC4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587211171 IH Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)nc3cccc4c3c2CC4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587211175 IH Annotated Anodyne COC(=O)[C@]1(CCc2cc3c4c(cccc4n2)CC3)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587211401 IH Annotated Anodyne COC(=O)[C@@]1(CCc2cc3c4c(cccc4n2)CC3)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587211402 IH Annotated Anodyne COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 ZINC000587215736 IH Annotated Clean COC1=CC[C@@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 ZINC000587215739 IH Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 ZINC000587215740 IH Annotated Clean COC1=CC[C@@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 ZINC000587215741 IH Annotated Clean CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c(Cl)c1 ZINC000587216710 IH Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c(Cl)c1 ZINC000587216711 IH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587222950 IH Annotated Anodyne CC1=C(c2ccc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587222951 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587223806 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587225098 IH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587225613 IH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587225614 IH Annotated Anodyne COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1OCC(=O)NC(C)C ZINC000587225754 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000587225764 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587225780 IH Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1 ZINC000587225798 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2c1 ZINC000587225799 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587226147 IH Annotated Mild COc1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587226214 IH Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587226266 IH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587226702 IH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587227429 IH Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587227465 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587228132 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587228164 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587228786 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587228803 IH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587228808 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2c1 ZINC000587228812 IH Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(CNc5ncccc5C#N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587230000 IH Annotated Mild COC(=O)c1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cn1 ZINC000587230325 IH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000587230970 IH Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587231098 IH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000587231857 IH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(C2CC2)n1 ZINC000587231877 IH Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccccc4NCCNc4ccccc4C(=O)O)nc3cc2N1 ZINC000587231991 IH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2n1 ZINC000587232020 IH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12 ZINC000587232031 IH Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)c(C(=O)OC)cc4[nH]3)c2)c1 ZINC000587232211 IH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C2CC2)n1 ZINC000587232383 IH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C2CC2)n1 ZINC000587232393 IH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C2CC2)n1 ZINC000587232418 IH Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C(=O)OC)c(OC)c4[nH]3)c2)c1 ZINC000587232686 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587232810 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587232878 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587232945 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587233044 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233198 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233226 IH Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc12 ZINC000587233801 IH Annotated Anodyne Cc1nc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2cc1Br ZINC000587234109 IH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCC(=O)CC1 ZINC000587234511 IH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(F)cnc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587234561 IH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c(O)c3[nH]2)CCC(O)CC1 ZINC000587234673 IH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C#N)cc(Br)c3[nH]2)CCC(O)CC1 ZINC000587234718 IH Annotated Mild CC(=O)NC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCC(C)CC1 ZINC000587234888 IH Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587234922 IH Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1 ZINC000587235635 IH Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3c(F)cnc(Br)c3[nH]2)CCC(O)CC1 ZINC000587236619 IH Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)CCCC2)cc1 ZINC000587237002 IH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCC(O)CC1 ZINC000587237527 IH Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)CCCC2)cc1 ZINC000587237836 IH Annotated Anodyne O=C(NC1(c2nc3cnncc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237853 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238416 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238419 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238420 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238422 IH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238835 IH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238836 IH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238838 IH Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238840 IH Annotated Anodyne O=C(NC1(c2nc3ncc[nH]c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238858 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239330 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239331 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239333 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239334 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239681 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239682 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239683 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239684 IH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587239711 IH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587240205 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240499 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240500 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240501 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240502 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240504 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240505 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240506 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240507 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240513 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240514 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240515 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240516 IH Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(O)c1 ZINC000587240681 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240800 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240801 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240802 IH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240803 IH Annotated Anodyne COC(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587241052 IH Annotated Anodyne COC(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587241053 IH Annotated Anodyne COC(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587241054 IH Annotated Anodyne COC(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587241055 IH Annotated Anodyne O=C(NC1(c2nc3cncnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587241079 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587241405 IH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587242871 IH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587245735 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc2c1 ZINC000587247799 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(N)CCc4cc(OC)ccc4C3)nc2c1 ZINC000587247802 IH Annotated Anodyne N=c1cc[nH]cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587248778 IH Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587249735 IH Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587250220 IH Annotated Anodyne Nc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587250706 IH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587252080 IH Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cn1 ZINC000587253722 IH Annotated Anodyne Nc1ncccc1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587254284 IH Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)=C1N ZINC000587254419 IH Annotated Anodyne Nc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cn1 ZINC000587254531 IH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587256084 IH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587256376 IH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587256567 IH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587256589 IH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587256688 IH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587256696 IH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587256709 IH Annotated Anodyne CC(C)COc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587256877 IH Annotated Anodyne COC(=O)c1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587256918 IH Annotated Anodyne CC(C)(C)[C@H](N)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587257645 IH Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587258513 IH Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587259041 IH Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587259180 IH Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587259313 IH Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587259326 IH Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587259600 IH Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587259627 IH Annotated Anodyne C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259802 IH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259804 IH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259806 IH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259807 IH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259972 IH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259973 IH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259975 IH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259977 IH Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587260014 IH Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587260025 IH Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587260029 IH Annotated Anodyne COc1cc(-c2nc3cccc(I)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260740 IH Annotated Bother COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c([N+](=O)[O-])c1 ZINC000587260768 IH Annotated Clean COc1cc(-c2nc3ccc(I)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260778 IH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc2c1 ZINC000587260979 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587261292 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587261293 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587261334 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587261335 IH Annotated Bother Cc1cc(C#Cc2nc3c(I)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261568 IH Annotated Mild COCCNc1ccc(-c2nc3cccc(I)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261676 IH Annotated Bother COCCNc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261781 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)ncc2[nH]1 ZINC000587261956 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)ncc2[nH]1 ZINC000587261957 IH Annotated Bother COCCNc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587261977 IH Annotated Bother COCCNc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587262007 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587262222 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587262223 IH Annotated Bother COc1cc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1[N+](=O)[O-] ZINC000587262318 IH Annotated Clean O=CC(C=O)c1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000587262329 IH Annotated Mild COCCNc1ccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262343 IH Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587262401 IH Annotated Bother COCCNc1ccc(-c2nc3ccc(I)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262523 IH Annotated Bother COc1cc(OCc2nc3cccc(I)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262547 IH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262549 IH Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587262780 IH Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587262781 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000587262813 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000587262815 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 ZINC000587262820 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 ZINC000587262823 IH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262918 IH Annotated Bother COc1cc(OCc2nc3ccc(I)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262983 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587262998 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587263002 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Br)ccnc2[nH]1 ZINC000587263030 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Br)ccnc2[nH]1 ZINC000587263031 IH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263183 IH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(OC)c3)nc2c1 ZINC000587263276 IH Annotated Bother Cc1ccc2c(ccc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c32)n1 ZINC000587263297 IH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Cl)c(Cl)nc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263399 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587263476 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587263477 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587263478 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587263479 IH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587263495 IH Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c21 ZINC000587263540 IH Annotated Clean NC(=O)c1cc(N2CCC(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263575 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)nc2[nH]1 ZINC000587263641 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)nc2[nH]1 ZINC000587263642 IH Annotated Bother COCCOc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] ZINC000587264108 IH Annotated Clean CC(C)Oc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587264184 IH Annotated Bother COCCOc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264238 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587264313 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587264314 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587264315 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587264316 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587264354 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587264355 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587264376 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587264377 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587264378 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587264379 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587264418 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587264419 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587264597 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587264598 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587264600 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587264601 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 ZINC000587264671 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 ZINC000587264673 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 ZINC000587264674 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 ZINC000587264676 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccnc(Br)c2[nH]1 ZINC000587264787 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccnc(Br)c2[nH]1 ZINC000587264788 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587264919 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587264920 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587264921 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587264922 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587265011 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587265016 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587265017 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587265018 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587265042 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587265043 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587265044 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587265045 IH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3nc(Br)c[nH]c-3n2)c(C)c1[N+](=O)[O-] ZINC000587265115 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000587265272 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000587265274 IH Annotated Bother COCCOc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587265320 IH Annotated Bother COCCOc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265355 IH Annotated Bother CCCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587265361 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587265398 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587265399 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587265401 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587265402 IH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587265482 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587265521 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587265522 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587265523 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587265525 IH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587265586 IH Annotated Bother CCOC(=O)c1ccc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265632 IH Annotated Bother CCOC(=O)c1ccc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265634 IH Annotated Bother COCCNc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] ZINC000587265662 IH Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587265885 IH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587265890 IH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 ZINC000587266082 IH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 ZINC000587266083 IH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 ZINC000587266084 IH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 ZINC000587266085 IH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587266214 IH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587266218 IH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587266219 IH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587266221 IH Annotated Bother COCCOc1ccc(-c2nc3cccc(I)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266387 IH Annotated Bother COCCOc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587266404 IH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266796 IH Annotated Bother COC(=O)c1cc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2cc1OC ZINC000587266945 IH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267041 IH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 ZINC000587267240 IH Annotated Bother COC(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1OC ZINC000587267264 IH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587267266 IH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267302 IH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587267352 IH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587267353 IH Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(N)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 ZINC000587268214 IH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587268645 IH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587268777 IH Annotated Clean O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)nn2)c1 ZINC000587268853 IH Annotated Bother CC1=C(c2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587268966 IH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587269059 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 ZINC000587269630 IH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 ZINC000587269728 IH Annotated Bother Cc1c(Br)cnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000587269752 IH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587269950 IH Annotated Bother Cc1nc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2cc1Br ZINC000587270118 IH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 ZINC000587270143 IH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cncc(Br)c3[nH]2)CC1 ZINC000587270219 IH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 ZINC000587270285 IH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587270363 IH Annotated Bother N[C@@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270551 IH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000587270624 IH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 ZINC000587270718 IH Annotated Bother Cc1c(Br)cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C ZINC000587270826 IH Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587270888 IH Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587270939 IH Annotated Bother N[C@@H](CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271032 IH Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587271806 IH Annotated Bother COC(=O)c1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587272797 IH Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000587273131 IH Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587273618 IH Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587273642 IH Annotated Bother CCn1nc(C)c(Br)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273718 IH Annotated Anodyne Cc1cc(=O)oc2c(OCC(=O)c3c(CO)oc4cc(Br)cnc34)cccc12 ZINC000587273728 IH Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587274452 IH Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)n1 ZINC000587274647 IH Annotated Bother Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cnn1-c1ccc(F)cc1 ZINC000587275453 IH Annotated Anodyne Cc1ccc(N2C[C@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)cc1 ZINC000587275479 IH Annotated Anodyne Cc1ccc(N2C[C@@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)cc1 ZINC000587275483 IH Annotated Anodyne O=C(Cn1nc(C2CC2)cc1C(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275530 IH Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275806 IH Annotated Unstable O=C(c1cc([N+](=O)[O-])c(F)c(F)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275946 IH Annotated Bother O=C(c1cc(F)c(F)c(F)c1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587276206 IH Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587276271 IH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587276272 IH Annotated Bother COc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)ccc1OC(F)F ZINC000587276703 IH Annotated Anodyne COc1ccc(-n2ncc(C(=O)c3c(CO)oc4cc(Br)cnc34)c2C)cc1 ZINC000587276707 IH Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276916 IH Annotated Bother C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276919 IH Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000587276925 IH Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000587276926 IH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276956 IH Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587277252 IH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587277253 IH Annotated Bother C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277366 IH Annotated Bother C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277367 IH Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277436 IH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277437 IH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277438 IH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277439 IH Annotated Clean CC1CCN(S(=O)(=O)c2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)CC1 ZINC000587280192 IH Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000587280551 IH Annotated Bother CCOC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319117 IH Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319119 IH Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319121 IH Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319123 IH Annotated Reactive CCOC(=O)C[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319410 IH Annotated Reactive CCOC(=O)C[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319416 IH Annotated Reactive CCOC(=O)C[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319418 IH Annotated Reactive CCOC(=O)C[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319419 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cncnc2)[C@H]1c1ccc(F)cc1 ZINC000587319875 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cncnc2)[C@H]1c1ccc(F)cc1 ZINC000587319878 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cncnc2)[C@@H]1c1ccc(F)cc1 ZINC000587319881 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cncnc2)[C@@H]1c1ccc(F)cc1 ZINC000587319882 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cnccn2)[C@H]1c1ccc(F)cc1 ZINC000587323579 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnccn2)[C@H]1c1ccc(F)cc1 ZINC000587323580 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnccn2)[C@@H]1c1ccc(F)cc1 ZINC000587323582 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cnccn2)[C@@H]1c1ccc(F)cc1 ZINC000587323584 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccncn2)[C@H]1c1ccc(F)cc1 ZINC000587323722 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccncn2)[C@H]1c1ccc(F)cc1 ZINC000587323723 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccncn2)[C@@H]1c1ccc(F)cc1 ZINC000587323724 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccncn2)[C@@H]1c1ccc(F)cc1 ZINC000587323725 IH Annotated Reactive Cc1nonc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324070 IH Annotated Reactive Cc1nonc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324076 IH Annotated Reactive Cc1nonc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324077 IH Annotated Reactive Cc1nonc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324079 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(CCl)cc3=O)[C@@H]1c1ccc(F)cc1 ZINC000587326465 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(CCl)cc3=O)[C@H]1c1ccc(F)cc1 ZINC000587326471 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(CCl)cc3=O)[C@@H]1c1ccc(F)cc1 ZINC000587326474 IH Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(CCl)cc3=O)[C@H]1c1ccc(F)cc1 ZINC000587326477 IH Annotated Reactive CS(=O)(=O)C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329013 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329016 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329017 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329020 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332451 IH Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332454 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332457 IH Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332458 IH Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332848 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332850 IH Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332852 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332854 IH Annotated Anodyne N[C@H](CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587332958 IH Annotated Anodyne N[C@H](CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587332961 IH Annotated Anodyne N[C@H](CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587332963 IH Annotated Anodyne N[C@H](CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587332966 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587334865 IH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334868 IH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587334869 IH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334871 IH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334968 IH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334971 IH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334975 IH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334977 IH Annotated Bother CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335047 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335064 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335069 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335074 IH Annotated Anodyne CN1N=C(C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335599 IH Annotated Anodyne CN1N=C(C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335601 IH Annotated Anodyne CN1N=C(C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335604 IH Annotated Anodyne CN1N=C(C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335607 IH Annotated Anodyne COC(=O)c1cccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587335609 IH Annotated Mild COC(=O)c1cccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587335619 IH Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587335620 IH Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587335621 IH Annotated Mild CN1C(=O)[C@H](C#N)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335687 IH Annotated Mild CN1C(=O)[C@H](C#N)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335703 IH Annotated Mild CN1C(=O)[C@H](C#N)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335707 IH Annotated Mild CN1C(=O)[C@H](C#N)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335710 IH Annotated Mild CCOC(=O)[C@@]1(c2ccc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335804 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335835 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335841 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335844 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336221 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336222 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336224 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336226 IH Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337130 IH Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337137 IH Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337142 IH Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337147 IH Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337642 IH Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337643 IH Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337644 IH Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337645 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587338158 IH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587338161 IH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587338163 IH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587338167 IH Annotated Bother COC(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338240 IH Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338244 IH Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338246 IH Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338247 IH Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587338548 IH Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587338555 IH Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587338556 IH Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587338560 IH Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338970 IH Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338976 IH Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338980 IH Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338985 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339644 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339656 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339659 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339664 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339826 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339829 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339833 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339836 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)CCC2=O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339885 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)CCC2=O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339886 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)CCC2=O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339887 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)CCC2=O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339888 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339947 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339948 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339949 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339950 IH Annotated Anodyne C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587340571 IH Annotated Bother C[C@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587340583 IH Annotated Bother C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587340587 IH Annotated Bother C[C@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587340590 IH Annotated Bother C[C@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587340595 IH Annotated Bother C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587340603 IH Annotated Bother C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587340606 IH Annotated Bother C[C@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587340611 IH Annotated Bother CC(C)(C)OC(=O)N1CC2(C1)OC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341359 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341362 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341364 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341366 IH Annotated Anodyne C[C@@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342002 IH Annotated Anodyne C[C@@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342003 IH Annotated Anodyne C[C@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342004 IH Annotated Anodyne C[C@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342005 IH Annotated Anodyne O=C(O)CN1N=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342023 IH Annotated Anodyne O=C(O)CN1N=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342024 IH Annotated Anodyne O=C(O)CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342026 IH Annotated Anodyne O=C(O)CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342027 IH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342141 IH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342142 IH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342143 IH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342144 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342197 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342200 IH Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342202 IH Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342203 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342253 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342257 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342259 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342261 IH Annotated Anodyne O=C(O)CCCC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342361 IH Annotated Anodyne O=C(O)CCCC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342362 IH Annotated Anodyne CC(C)(C)[C@]1(Cn2cc(C(=O)O)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342815 IH Annotated Anodyne CC(C)(C)[C@@]1(Cn2cc(C(=O)O)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342816 IH Annotated Anodyne CC(C)(C)[C@]1(Cn2cc(C(=O)O)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342817 IH Annotated Anodyne CC(C)(C)[C@@]1(Cn2cc(C(=O)O)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342818 IH Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342838 IH Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342840 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342841 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342842 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343101 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343102 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343105 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343106 IH Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](OC)C1 ZINC000587343244 IH Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](OC)C1 ZINC000587343246 IH Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](OC)C1 ZINC000587343247 IH Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](OC)C1 ZINC000587343248 IH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343372 IH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343373 IH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343374 IH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343375 IH Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344021 IH Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344023 IH Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344024 IH Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344026 IH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2c(C(=O)O)cnn12 ZINC000587344046 IH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2c(C(=O)O)cnn12 ZINC000587344049 IH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2c(C(=O)O)cnn12 ZINC000587344050 IH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2c(C(=O)O)cnn12 ZINC000587344052 IH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344120 IH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344121 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344122 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344123 IH Annotated Anodyne O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344337 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587344338 IH Annotated Anodyne O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344339 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587344340 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc4c(cc32)OCCCO4)[C@H]1c1ccc(F)cc1 ZINC000587344411 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc4c(cc32)OCCCO4)[C@@H]1c1ccc(F)cc1 ZINC000587344418 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc4c(cc32)OCCCO4)[C@@H]1c1ccc(F)cc1 ZINC000587344422 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc4c(cc32)OCCCO4)[C@H]1c1ccc(F)cc1 ZINC000587344426 IH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1=O ZINC000587344540 IH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1=O ZINC000587344545 IH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1=O ZINC000587344546 IH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1=O ZINC000587344548 IH Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344611 IH Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344612 IH Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344615 IH Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344617 IH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344914 IH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344926 IH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344927 IH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344931 IH Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345056 IH Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345058 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345150 IH Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345152 IH Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345154 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345156 IH Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345362 IH Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345365 IH Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345417 IH Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345422 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345425 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345426 IH Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345577 IH Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345578 IH Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345581 IH Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345583 IH Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345605 IH Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345607 IH Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345609 IH Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345610 IH Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346247 IH Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346248 IH Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346249 IH Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346250 IH Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346495 IH Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346501 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346603 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346604 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346605 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346607 IH Annotated Anodyne O=C1CCc2cc([C@]3(C(=O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587346621 IH Annotated Anodyne O=C1CCc2cc([C@@]3(C(=O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587346622 IH Annotated Anodyne O=C1CCc2cc([C@]3(C(=O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587346623 IH Annotated Anodyne O=C1CCc2cc([C@@]3(C(=O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587346625 IH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2cc(C(=O)O)nn12 ZINC000587346708 IH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2cc(C(=O)O)nn12 ZINC000587346711 IH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2cc(C(=O)O)nn12 ZINC000587346714 IH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2cc(C(=O)O)nn12 ZINC000587346716 IH Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347062 IH Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347063 IH Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347064 IH Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347065 IH Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347149 IH Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347150 IH Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347154 IH Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347157 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347940 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347949 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347952 IH Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347956 IH Annotated Anodyne CCOC(=O)C(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587348196 IH Annotated Anodyne CCOC(=O)C(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587348198 IH Annotated Anodyne CCOC(=O)C(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587348201 IH Annotated Anodyne CCOC(=O)C(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)OCC ZINC000587348202 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCCCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587348446 IH Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCCCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587348448 IH Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCCCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587348450 IH Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCCCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587348451 IH Annotated Mild COC(=O)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348855 IH Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348861 IH Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348867 IH Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348876 IH Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349429 IH Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349436 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349538 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349551 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349560 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349566 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCCCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587350083 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCCCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587350091 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCCCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587350100 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350105 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCCCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587350112 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350125 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350130 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350135 IH Annotated Anodyne O=C[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350501 IH Annotated Mild O=C[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350507 IH Annotated Mild O=C[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350514 IH Annotated Mild O=C[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350521 IH Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350642 IH Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350643 IH Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350645 IH Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350646 IH Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351159 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351160 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351161 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351162 IH Annotated Anodyne COC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC(OC)(OC)C1 ZINC000587352093 IH Annotated Anodyne COC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC(OC)(OC)C1 ZINC000587352107 IH Annotated Anodyne COC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC(OC)(OC)C1 ZINC000587352108 IH Annotated Anodyne COC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC(OC)(OC)C1 ZINC000587352110 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587352830 IH Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587352831 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587352832 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587352833 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc4c(cc32)OCCO4)[C@@H]1c1ccc(F)cc1 ZINC000587352850 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc4c(cc32)OCCO4)[C@H]1c1ccc(F)cc1 ZINC000587352851 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc4c(cc32)OCCO4)[C@H]1c1ccc(F)cc1 ZINC000587352852 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc4c(cc32)OCCO4)[C@@H]1c1ccc(F)cc1 ZINC000587352853 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587357959 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 ZINC000587357962 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 ZINC000587357964 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587357966 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358279 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358285 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358287 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358291 IH Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587361160 IH Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587361173 IH Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587361175 IH Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587361177 IH Annotated Anodyne COc1cccc(-c2cc(CC(=O)ON3C(=O)CCC3=O)nc3c2oc2ccccc23)c1 ZINC000587363844 IH Annotated Mild O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccc(Br)o1 ZINC000587365557 IH Annotated Anodyne Oc1nc(O)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2n1 ZINC000587368361 IH Annotated Mild CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1cccc(SC(F)(F)F)c1 ZINC000587368489 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587368917 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587368918 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587368919 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587368920 IH Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369132 IH Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369133 IH Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369135 IH Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369136 IH Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369351 IH Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369352 IH Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369353 IH Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369354 IH Annotated Anodyne Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369526 IH Annotated Anodyne Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369527 IH Annotated Anodyne Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369528 IH Annotated Anodyne Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(N)(=O)=O ZINC000587369529 IH Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587369957 IH Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587369958 IH Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587369959 IH Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587369960 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370094 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370095 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)(c1ccc(Br)cc1)O2 ZINC000587370287 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)(c1ccc(Br)cc1)O2 ZINC000587370288 IH Annotated Anodyne COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587370294 IH Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587370297 IH Annotated Reactive CNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370864 IH Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370865 IH Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370866 IH Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370867 IH Annotated Anodyne COCCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587371239 IH Annotated Anodyne COCCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587371249 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)O2 ZINC000587371879 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)O2 ZINC000587371881 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)O2 ZINC000587371882 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)O2 ZINC000587371884 IH Annotated Reactive COC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc2O1 ZINC000587372257 IH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc2O1 ZINC000587372261 IH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc2O1 ZINC000587372264 IH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc2O1 ZINC000587372269 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)O2 ZINC000587372364 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)O2 ZINC000587372366 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)O2 ZINC000587372367 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)O2 ZINC000587372368 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(Br)cnc1Br)O2 ZINC000587372505 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(Br)cnc1Br)O2 ZINC000587372509 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)O2 ZINC000587372841 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)O2 ZINC000587372854 IH Annotated Bother CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372927 IH Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372931 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(N3CCCC3=O)c1)O2 ZINC000587374084 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(N3CCCC3=O)c1)O2 ZINC000587374086 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 ZINC000587374245 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 ZINC000587374247 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)O2 ZINC000587374248 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)O2 ZINC000587374250 IH Annotated Reactive COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374436 IH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374443 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N3CCOCC3)cc1)O2 ZINC000587374773 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N3CCOCC3)cc1)O2 ZINC000587374774 IH Annotated Reactive CCN1N=C(Br)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc3c(cc21)OCO3 ZINC000587374805 IH Annotated Anodyne CCN1N=C(Br)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc3c(cc21)OCO3 ZINC000587374809 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCC1OCCO1)O2 ZINC000587375139 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCC1OCCO1)O2 ZINC000587375145 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375211 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375213 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375216 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375217 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)O2 ZINC000587375451 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)O2 ZINC000587375452 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)O2 ZINC000587375453 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)O2 ZINC000587375454 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(Br)(Br)CBr)O2 ZINC000587375497 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](C(Br)(Br)CBr)O2 ZINC000587375501 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N3CCCC3=O)cc1)O2 ZINC000587375514 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N3CCCC3=O)cc1)O2 ZINC000587375515 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N1CCN(C)CC1)O2 ZINC000587375531 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N1CCN(C)CC1)O2 ZINC000587375534 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2Cl)CC1 ZINC000587375778 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2Cl)CC1 ZINC000587375784 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376225 IH Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376233 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587376545 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587376552 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587376556 IH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587376559 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCC(=O)N3C)O2 ZINC000587376699 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3C)O2 ZINC000587376705 IH Annotated Reactive CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376772 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376776 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCl)(c1ccccc1Br)O2 ZINC000587377325 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1ccccc1Br)O2 ZINC000587377326 IH Annotated Reactive CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCC(=O)N(C)C ZINC000587377371 IH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCC(=O)N(C)C ZINC000587377372 IH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(=O)O ZINC000587377534 IH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(=O)O ZINC000587377538 IH Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587377834 IH Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587377840 IH Annotated Anodyne COc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O ZINC000587377956 IH Annotated Anodyne COc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O ZINC000587377958 IH Annotated Anodyne CN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587378506 IH Annotated Anodyne CN1c2ccccc2[C@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587378507 IH Annotated Anodyne CN1c2ccccc2[C@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587378508 IH Annotated Anodyne CN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587378509 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)c(Br)c1)O2 ZINC000587378551 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)c(Br)c1)O2 ZINC000587378552 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N1CCN(C)CC1)O2 ZINC000587378607 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCN(C)CC1)O2 ZINC000587378609 IH Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3cccc(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587378779 IH Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3cccc(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587378780 IH Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378937 IH Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378938 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378971 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378972 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)c(O)nc1/C=C\N(C)C)O2 ZINC000587379202 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)c(O)nc1/C=C\N(C)C)O2 ZINC000587379205 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)c(O)nc1/C=C/N(C)C)O2 ZINC000587379207 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)c(O)nc1/C=C/N(C)C)O2 ZINC000587379209 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380796 IH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380797 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380798 IH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380799 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382063 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382066 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382115 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382259 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@@H](C)n1cc(C(F)(F)F)ccc1=O)O2 ZINC000587383020 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(O)(O)C(F)(F)F)=COc2ccc(Cl)cc21 ZINC000587383024 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@@H](C)n1cc(C(F)(F)F)ccc1=O)O2 ZINC000587383030 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(O)(O)C(F)(F)F)=COc2ccc(Cl)cc21 ZINC000587383031 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@H](C)n1cc(C(F)(F)F)ccc1=O)O2 ZINC000587383033 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@H](C)n1cc(C(F)(F)F)ccc1=O)O2 ZINC000587383034 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCC(C(F)(F)F)CC1)(c1c[nH]c(C=O)c1)O2 ZINC000587383623 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCC(C(F)(F)F)CC1)(c1c[nH]c(C=O)c1)O2 ZINC000587383625 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncc(CO)n1C)(c1ccc(F)cc1)O2 ZINC000587384710 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncc(CO)n1C)(c1ccc(F)cc1)O2 ZINC000587384711 IH Annotated Anodyne C=CCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587384816 IH Annotated Mild C=CCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587384818 IH Annotated Mild CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N(CC)CC ZINC000587385006 IH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N(CC)CC ZINC000587385007 IH Annotated Anodyne COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385562 IH Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385571 IH Annotated Reactive C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587385626 IH Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587385628 IH Annotated Mild COc1ccc(I)c2c1[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385895 IH Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385909 IH Annotated Anodyne COc1cc2c(cc1I)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385994 IH Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385996 IH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OC ZINC000587386069 IH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OC ZINC000587386070 IH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1O ZINC000587386113 IH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1O ZINC000587386114 IH Annotated Anodyne C#CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587386881 IH Annotated Mild C#CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587386882 IH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1cc(F)ccc1O)O2 ZINC000587387173 IH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1cc(F)ccc1O)O2 ZINC000587387175 IH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc(I)c1O)O2 ZINC000587387216 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc(I)c1O)O2 ZINC000587387217 IH Annotated Bother COc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587387309 IH Annotated Anodyne COc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587387310 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)(CNC(=O)OC(C)(C)C)O2 ZINC000587387350 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)(CNC(=O)OC(C)(C)C)O2 ZINC000587387351 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)nc3c1OCCC3)O2 ZINC000587387529 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)nc3c1OCCC3)O2 ZINC000587387530 IH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1O ZINC000587387549 IH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1O ZINC000587387552 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3[nH]cc(I)c3c1)O2 ZINC000587387755 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3[nH]cc(I)c3c1)O2 ZINC000587387756 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c3ccnc-3[nH]c(I)c1F)O2 ZINC000587387956 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c3ccnc-3[nH]c(I)c1F)O2 ZINC000587387957 IH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(I)c1O ZINC000587388008 IH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(I)c1O ZINC000587388009 IH Annotated Anodyne COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587388016 IH Annotated Anodyne COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587388017 IH Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388077 IH Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388078 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000587388657 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000587388658 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(cccc2[N+](=O)[O-])C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587389105 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])cccc21 ZINC000587389184 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] ZINC000587389230 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] ZINC000587389236 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 ZINC000587389463 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 ZINC000587389465 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587389596 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587389598 IH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3C(=O)c4ccccc4C3=O)cc1)O2 ZINC000587390696 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3C(=O)c4ccccc4C3=O)cc1)O2 ZINC000587390698 IH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C(N)=O ZINC000587390986 IH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C(N)=O ZINC000587390987 IH Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587391639 IH Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587391640 IH Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587392233 IH Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587392234 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1C(=O)c3ccccc3C1=O)(c1ccccc1N)O2 ZINC000587392919 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1C(=O)c3ccccc3C1=O)(c1ccccc1N)O2 ZINC000587392920 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587393256 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587393257 IH Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393387 IH Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393388 IH Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394317 IH Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394322 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4c(c3)OCCO4)nc3ncccn13)O2 ZINC000587394744 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4c(c3)OCCO4)nc3ncccn13)O2 ZINC000587394745 IH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394778 IH Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394779 IH Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394780 IH Annotated Anodyne CCOC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394781 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCC(C)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587394978 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCC(C)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587394979 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCC(C)CC3)nc3ccc(C)cn3c1=O)O2 ZINC000587396119 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCC(C)CC3)nc3ccc(C)cn3c1=O)O2 ZINC000587396121 IH Annotated Anodyne CCOC(=O)C1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587396434 IH Annotated Anodyne CCOC(=O)C1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587396435 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396791 IH Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396795 IH Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C#N)CC1 ZINC000587397279 IH Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C#N)CC1 ZINC000587397280 IH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCC(N(C)C)CC1)(c1c[nH]c3ccccc13)O2 ZINC000587397342 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCC(N(C)C)CC1)(c1c[nH]c3ccccc13)O2 ZINC000587397347 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1[nH]cnc1C(=O)Nc1ccccn1)O2 ZINC000587397552 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1[nH]cnc1C(=O)Nc1ccccn1)O2 ZINC000587397553 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(C(C)C)c1)(c1ccccc1O)O2 ZINC000587398360 IH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(C(C)C)c1)(c1ccccc1O)O2 ZINC000587398361 IH Annotated Mild COC(=O)C1C[C@H]2CC3(CC(=O)c4cc(C)cc(N)c4O3)C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000587398982 IH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399621 IH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399622 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1ccccc1O)O2 ZINC000587400058 IH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(C3CC3)c1)(c1ccccc1O)O2 ZINC000587400059 IH Annotated Mild CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23CC(=O)c2cc(C)cc(N)c2O3)N1C(=O)OC(C)(C)C ZINC000587400541 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23CC(=O)c2cc(C)cc(N)c2O3)N1C(=O)OC(C)(C)C ZINC000587400544 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o1)O2 ZINC000587400625 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o1)O2 ZINC000587400630 IH Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401327 IH Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401330 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)NC(=O)CO3)(c1ccccc1C(=O)O)O2 ZINC000587401934 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)NC(=O)CO3)(c1ccccc1C(=O)O)O2 ZINC000587401936 IH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402191 IH Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402204 IH Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402248 IH Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402251 IH Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1cc(C)cc(O)c1C2=O ZINC000587404542 IH Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1cc(C)cc(O)c1C2=O ZINC000587404544 IH Annotated Anodyne COc1c(O)cc2c(c1O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(c1ccc(O)cc1)=CO2 ZINC000587406549 IH Annotated Anodyne COc1c(O)cc2c(c1O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(c1ccc(O)cc1)=CO2 ZINC000587406550 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587407111 IH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587407122 IH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587407123 IH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587407126 IH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)([C@@H](O)c1ccc3c(c1)OCO3)O2 ZINC000587407423 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)([C@H](O)c1ccc3c(c1)OCO3)O2 ZINC000587407424 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)([C@@H](O)c1ccc3c(c1)OCO3)O2 ZINC000587407426 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)([C@H](O)c1ccc3c(c1)OCO3)O2 ZINC000587407427 IH Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407628 IH Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407629 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCCO3)(c1ccccc1C(=O)O)O2 ZINC000587407952 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1ccccc1C(=O)O)O2 ZINC000587407954 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nnnn1-c1ccccc1)(c1ccc[nH]1)O2 ZINC000587408101 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nnnn1-c1ccccc1)(c1ccc[nH]1)O2 ZINC000587408102 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)O2 ZINC000587409234 IH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)O2 ZINC000587409253 IH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NCc3ccco3)cc1)O2 ZINC000587409341 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NCc3ccco3)cc1)O2 ZINC000587409342 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o1)O2 ZINC000587409560 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o1)O2 ZINC000587409562 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)O2 ZINC000587409572 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)O2 ZINC000587409574 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl ZINC000587409681 IH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@H]1Cl ZINC000587409683 IH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@H]1Cl ZINC000587409687 IH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl ZINC000587409690 IH Annotated Unstable COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409714 IH Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409716 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cccnc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587410380 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cccnc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587410381 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)O2 ZINC000587410397 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)O2 ZINC000587410401 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccc3c(c1)OCO3)(c1ccc3c(c1)OCO3)O2 ZINC000587410521 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccc3c(c1)OCO3)(c1ccc3c(c1)OCO3)O2 ZINC000587410524 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(S(C)(=O)=O)cc1)(c1ccc(C)nc1)O2 ZINC000587410706 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(S(C)(=O)=O)cc1)(c1ccc(C)nc1)O2 ZINC000587410707 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410890 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410891 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410892 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410893 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(O)nc1/C=C\N(C)C)[C@@H](C2)C3=O ZINC000587411499 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(O)nc1/C=C\N(C)C)[C@@H](C2)C3=O ZINC000587411500 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(O)nc1/C=C/N(C)C)[C@@H](C2)C3=O ZINC000587411501 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(O)nc1/C=C/N(C)C)[C@@H](C2)C3=O ZINC000587411502 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587411931 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587411932 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587412120 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587412137 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587412197 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587412200 IH Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)CC1 ZINC000587412229 IH Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)CC1 ZINC000587412246 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O ZINC000587412274 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587412418 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587412419 IH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC3=NS(=O)(=O)c4ccccc43)cc1)O2 ZINC000587412463 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC3=NS(=O)(=O)c4ccccc43)cc1)O2 ZINC000587412464 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O ZINC000587412488 IH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1Br)[C@@H](C2)C3=O ZINC000587412598 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1Br)[C@@H](C2)C3=O ZINC000587412599 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3nc(Cl)nc(N4CCOCC4)c3s1)O2 ZINC000587412835 IH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3nc(Cl)nc(N4CCOCC4)c3s1)O2 ZINC000587412836 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587412933 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587412936 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O ZINC000587412980 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O ZINC000587412981 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587412982 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587412983 IH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCC#N)c(OC)c1)[C@@H](C2)C3=O ZINC000587413016 IH Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCC#N)c(OC)c1)[C@@H](C2)C3=O ZINC000587413021 IH Annotated Mild COc1cc2c3c(c1)O[C@](CBr)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587413372 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587413373 IH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN(C)C)c(Br)c1)[C@@H](C2)C3=O ZINC000587413381 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCN(C)C)c(Br)c1)[C@@H](C2)C3=O ZINC000587413382 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413579 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413580 IH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413581 IH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587413582 IH Annotated Reactive CCOC(=O)[C@]1(c2ccc(OC)cc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413705 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413707 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587413709 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587413712 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC(C)=O)cc1Br)[C@@H](C2)C3=O ZINC000587413727 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC(C)=O)cc1Br)[C@@H](C2)C3=O ZINC000587413729 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413935 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413936 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413937 IH Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413938 IH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587414008 IH Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587414009 IH Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587414010 IH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587414011 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587414113 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587414115 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587414116 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587414117 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)[C@@H](C2)C3=O ZINC000587414140 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)[C@@H](C2)C3=O ZINC000587414142 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)[C@@H](C2)C3=O ZINC000587414144 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)[C@@H](C2)C3=O ZINC000587414146 IH Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)sc2c1CCC2 ZINC000587414188 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587414190 IH Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)sc2c1CCC2 ZINC000587414191 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(N4CCCC4=O)c1)[C@@H](C2)C3=O ZINC000587414206 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(N4CCCC4=O)c1)[C@@H](C2)C3=O ZINC000587414207 IH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587414316 IH Annotated Anodyne CCOC(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414401 IH Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414403 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O ZINC000587414545 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O ZINC000587414547 IH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1Br)[C@@H](C2)C3=O ZINC000587414722 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1Br)[C@@H](C2)C3=O ZINC000587414724 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1ccnc1)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414737 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1ccnc1)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414745 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587414849 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587414866 IH Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414867 IH Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414869 IH Annotated Reactive CCOC(=O)COc1c(Br)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414936 IH Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414940 IH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587415020 IH Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587415021 IH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587415022 IH Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587415025 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587415037 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)c(Br)c1)[C@@H](C2)C3=O ZINC000587415038 IH Annotated Anodyne CCOC(=O)N1CCN([C@@H](C)[C@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415115 IH Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415116 IH Annotated Anodyne CCOC(=O)N1CCN([C@@H](C)[C@@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415117 IH Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415118 IH Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415218 IH Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415219 IH Annotated Anodyne CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415474 IH Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415475 IH Annotated Reactive CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415476 IH Annotated Reactive CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415477 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415768 IH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415769 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415770 IH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415771 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587415819 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587415820 IH Annotated Reactive CCOC(=O)[C@]1(c2cc(Br)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416574 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416576 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCC1OCCO1)[C@@H](C2)C3=O ZINC000587416652 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCC1OCCO1)[C@@H](C2)C3=O ZINC000587416654 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587416942 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587416943 IH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587416944 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587416945 IH Annotated Reactive CCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587417546 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(CO)OC=C1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417550 IH Annotated Anodyne CCCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587417551 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CO)OC=C1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417575 IH Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417744 IH Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417745 IH Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417789 IH Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417790 IH Annotated Anodyne COC(=O)[C@@H](C)[C@@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417791 IH Annotated Anodyne COC(=O)[C@@H](C)[C@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417792 IH Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(C)cc(Br)c21 ZINC000587417884 IH Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(C)cc(Br)c21 ZINC000587417888 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc(Br)cnc1Br)[C@@H](C2)C3=O ZINC000587418060 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc(Br)cnc1Br)[C@@H](C2)C3=O ZINC000587418062 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418152 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418154 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4c(o1)C(=O)C(Br)=CC4=O)[C@@H](C2)C3=O ZINC000587418263 IH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cc4c(o1)C(=O)C(Br)=CC4=O)[C@@H](C2)C3=O ZINC000587418266 IH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCOc4c([N+](=O)[O-])cc(Br)cc41)[C@@H](C2)C3=O ZINC000587418449 IH Annotated Bother COc1cc2c3c(c1)O[C@]1(CCOc4c([N+](=O)[O-])cc(Br)cc41)[C@@H](C2)C3=O ZINC000587418453 IH Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418687 IH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418691 IH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418694 IH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418697 IH Annotated Mild CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418819 IH Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418826 IH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O ZINC000587419009 IH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587419011 IH Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O ZINC000587419013 IH Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587419014 IH Annotated Reactive COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419199 IH Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419207 IH Annotated Reactive COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419304 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419308 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@H](C)n1cc(C(F)(F)F)ccc1=O)[C@@H](C2)C3=O ZINC000587419324 IH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OCC(=O)N(C)C ZINC000587419334 IH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OCC(=O)N(C)C ZINC000587419335 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@@H](C)n1cc(C(F)(F)F)ccc1=O)[C@@H](C2)C3=O ZINC000587419342 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)([C@H](C)n1cc(C(F)(F)F)ccc1=O)[C@@H](C2)C3=O ZINC000587419347 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)([C@@H](C)n1cc(C(F)(F)F)ccc1=O)[C@@H](C2)C3=O ZINC000587419348 IH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419977 IH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419980 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587420120 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587420134 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420319 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420324 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420379 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420380 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587420463 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587420465 IH Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C(=O)O)(c4cccc(Br)c4)C1)[C@@H](C2)C3=O ZINC000587420466 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587420467 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587420468 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587420469 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587420470 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587420638 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587420648 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587420650 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587420652 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCC(C(F)(F)F)CC1)(c1c[nH]c(C=O)c1)[C@@H](C2)C3=O ZINC000587421401 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCC(C(F)(F)F)CC1)(c1c[nH]c(C=O)c1)[C@@H](C2)C3=O ZINC000587421403 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)CN4CCC(C(F)(F)F)CC4)c[nH]1)[C@@H](C2)C3=O ZINC000587421425 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)CN4CCC(C(F)(F)F)CC4)c[nH]1)[C@@H](C2)C3=O ZINC000587421427 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4Oc4nc(N)c(C#N)cc41)[C@@H](C2)C3=O ZINC000587421881 IH Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4Oc4nc(N)c(C#N)cc41)[C@@H](C2)C3=O ZINC000587421907 IH Annotated Mild CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421994 IH Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422002 IH Annotated Reactive CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587422271 IH Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587422274 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(N(C(C)=O)C4CC4)=C(Cl)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587422288 IH Annotated Mild COc1cc2c3c(c1)O[C@]1(C(N(C(C)=O)C4CC4)=C(Cl)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587422295 IH Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(Cl)=C(N(C(C)=O)C4CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587422436 IH Annotated Mild COc1cc2c3c(c1)O[C@]1(C(Cl)=C(N(C(C)=O)C4CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587422439 IH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCN(C(C)=O)CC4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422645 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCN(C(C)=O)CC4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422650 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423255 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423256 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(-c4noc(Cn5ccnc5C)n4)c1)[C@@H](C2)C3=O ZINC000587423359 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(-c4noc(Cn5ccnc5C)n4)c1)[C@@H](C2)C3=O ZINC000587423362 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587423707 IH Annotated Unstable COc1cc2c3c(c1)O[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587423718 IH Annotated Unstable COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587424146 IH Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587424156 IH Annotated Bother COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424172 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424175 IH Annotated Anodyne CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424281 IH Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424282 IH Annotated Bother CCOC(=O)[C@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424591 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424592 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424759 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424760 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424839 IH Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424840 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424919 IH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424920 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587425442 IH Annotated Clean COc1cc2c3c(c1)O[C@@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587425445 IH Annotated Clean CCOC(=O)[C@@]1(c2cccc(Br)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426146 IH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426147 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4[nH]nc(I)c14)[C@@H](C2)C3=O ZINC000587426250 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4[nH]nc(I)c14)[C@@H](C2)C3=O ZINC000587426255 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4[nH]cc(I)c4c1)[C@@H](C2)C3=O ZINC000587426289 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4[nH]cc(I)c4c1)[C@@H](C2)C3=O ZINC000587426290 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587427128 IH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587427130 IH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccc4c(I)n[nH]c14)[C@@H](C2)C3=O ZINC000587427424 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4c(I)n[nH]c14)[C@@H](C2)C3=O ZINC000587427426 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587427904 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587427905 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(O)c1I)[C@@H](C2)C3=O ZINC000587427928 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(O)c1I)[C@@H](C2)C3=O ZINC000587427930 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(I)cc(C)c1N)[C@@H](C2)C3=O ZINC000587428104 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(I)cc(C)c1N)[C@@H](C2)C3=O ZINC000587428105 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)(C1CCN(C(C)=O)CC1)[C@@H](C2)C3=O ZINC000587428201 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)(C1CCN(C(C)=O)CC1)[C@@H](C2)C3=O ZINC000587428204 IH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N(CC)CC ZINC000587428236 IH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N(CC)CC ZINC000587428237 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(I)c(OC)cc41)[C@@H](C2)C3=O ZINC000587428403 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(I)c(OC)cc41)[C@@H](C2)C3=O ZINC000587428407 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587428440 IH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587428442 IH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587428443 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587428445 IH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cnc4[nH]cc(I)c4c1)[C@@H](C2)C3=O ZINC000587428461 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4[nH]cc(I)c4c1)[C@@H](C2)C3=O ZINC000587428467 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cccc(I)c1)[C@@H](C2)C3=O ZINC000587428521 IH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(I)c1)[C@@H](C2)C3=O ZINC000587428523 IH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(I)c1)[C@@H](C2)C3=O ZINC000587428693 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(I)c1)[C@@H](C2)C3=O ZINC000587428695 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(I)n[nH]c4c1)[C@@H](C2)C3=O ZINC000587428710 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(I)n[nH]c4c1)[C@@H](C2)C3=O ZINC000587428712 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCOc1cccc(I)c1)[C@@H](C2)C3=O ZINC000587428968 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCOc1cccc(I)c1)[C@@H](C2)C3=O ZINC000587428969 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587428990 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587428991 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(I)ccc(OC)c41)[C@@H](C2)C3=O ZINC000587428996 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(I)ccc(OC)c41)[C@@H](C2)C3=O ZINC000587428998 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])cn4ccnc14)[C@@H](C2)C3=O ZINC000587429264 IH Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc([N+](=O)[O-])cn4ccnc14)[C@@H](C2)C3=O ZINC000587429265 IH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc4[nH]nc(I)c4c1)[C@@H](C2)C3=O ZINC000587429421 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4[nH]nc(I)c4c1)[C@@H](C2)C3=O ZINC000587429422 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587429491 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587429492 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)nc4c1OCCC4)[C@@H](C2)C3=O ZINC000587429676 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)nc4c1OCCC4)[C@@H](C2)C3=O ZINC000587429681 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)ccnc1Cl)[C@@H](C2)C3=O ZINC000587429703 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)ccnc1Cl)[C@@H](C2)C3=O ZINC000587429706 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429908 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429912 IH Annotated Anodyne C#CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1I ZINC000587429921 IH Annotated Mild C#CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1I ZINC000587429934 IH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccccc1I)[C@@H](C2)C3=O ZINC000587430183 IH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccccc1I)[C@@H](C2)C3=O ZINC000587430184 IH Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)[C@@H](C2)C3=O ZINC000587430219 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)[C@@H](C2)C3=O ZINC000587430231 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)[C@@H](C2)C3=O ZINC000587430233 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)[C@@H](C2)C3=O ZINC000587430236 IH Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C(=O)OC(C)(C)C ZINC000587430289 IH Annotated Anodyne CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C(=O)OC(C)(C)C ZINC000587430291 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C#N)c(N)nc4Oc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587430700 IH Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4cc(C#N)c(N)nc4Oc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587430701 IH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587430710 IH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587430711 IH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1c(N)c(C#N)cn1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587430808 IH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1c(N)c(C#N)cn1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587430816 IH Annotated Mild COc1cc2c3c(c1)O[C@](CCCCC1OCCO1)(CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587430866 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCC1OCCO1)(CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587430873 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587431371 IH Annotated Bother COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587431376 IH Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])ccc(O)c41)[C@@H](C2)C3=O ZINC000587431454 IH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])ccc(O)c41)[C@@H](C2)C3=O ZINC000587431464 IH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C)c([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O ZINC000587431499 IH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C)c([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O ZINC000587431503 IH Annotated Bother COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587431532 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587431534 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587431535 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587431536 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4C(N)=O)c1)[C@@H](C2)C3=O ZINC000587431537 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4C(N)=O)c1)[C@@H](C2)C3=O ZINC000587431538 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc([N+](=O)[O-])ccc4-c4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587431775 IH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4cc([N+](=O)[O-])ccc4-c4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587431776 IH Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)[C@@H](C2)C3=O ZINC000587432024 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)[C@@H](C2)C3=O ZINC000587432031 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)[C@@H](C2)C3=O ZINC000587432033 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)[C@@H](C2)C3=O ZINC000587432035 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587432165 IH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587432166 IH Annotated Mild COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587432176 IH Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587432177 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cc(-n5cccn5)ncn4)cc1)[C@@H](C2)C3=O ZINC000587433228 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cc(-n5cccn5)ncn4)cc1)[C@@H](C2)C3=O ZINC000587433229 IH Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587433259 IH Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587433260 IH Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587433993 IH Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587433994 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587434036 IH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587434037 IH Annotated Bother CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434854 IH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434855 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N4C(=O)C=CC4=O)cc1)[C@@H](C2)C3=O ZINC000587435176 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N4C(=O)C=CC4=O)cc1)[C@@H](C2)C3=O ZINC000587435191 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(OC)ccc4OC)nc4ncccn14)[C@@H](C2)C3=O ZINC000587435471 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(OC)ccc4OC)nc4ncccn14)[C@@H](C2)C3=O ZINC000587435472 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587435576 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587435577 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587435578 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587435579 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5c(c4)OCCO5)nc4ncccn14)[C@@H](C2)C3=O ZINC000587436319 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5c(c4)OCCO5)nc4ncccn14)[C@@H](C2)C3=O ZINC000587436320 IH Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436351 IH Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436352 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587436628 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587436629 IH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437647 IH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437648 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N(Cc4ccc(OC)c(OC)c4)C(=O)C1)[C@@H](C2)C3=O ZINC000587438063 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N(Cc4ccc(OC)c(OC)c4)C(=O)C1)[C@@H](C2)C3=O ZINC000587438070 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCC(C)CC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587438091 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCC(C)CC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587438094 IH Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C#N)CC1 ZINC000587438132 IH Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C#N)CC1 ZINC000587438137 IH Annotated Mild COc1cc2c3c(c1)O[C@@](CN1C(=O)c4ccccc4C1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587438771 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1C(=O)c4ccccc4C1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587438774 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCC(C)CC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587439001 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCC(C)CC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587439002 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439030 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439033 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439036 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439038 IH Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440004 IH Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440006 IH Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587440117 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(C)cc4C(=O)c4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587440218 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cc(C)cc4C(=O)c4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587440219 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440268 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440270 IH Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587440789 IH Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587440795 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C#N)c(=O)n(C(C)C)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587441008 IH Annotated Mild COc1cc2c3c(c1)O[C@](c1cc(C#N)c(=O)n(C(C)C)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587441010 IH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o1)[C@@H](C2)C3=O ZINC000587442366 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o1)[C@@H](C2)C3=O ZINC000587442367 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(C)cc(O)c4C(=O)c4c(O)cc(OC)cc41)[C@@H](C2)C3=O ZINC000587442631 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C)cc(O)c4C(=O)c4c(O)cc(OC)cc41)[C@@H](C2)C3=O ZINC000587442634 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](COC1CCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587444192 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](COC1CCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587444196 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCC(N(C)C)CC1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587445294 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCC(N(C)C)CC1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587445295 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(C[C@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587445310 IH Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(C)n(C[C@@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587445311 IH Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(C[C@@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587445312 IH Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(C[C@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587445313 IH Annotated Clean CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445878 IH Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445879 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587445900 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587445901 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(Cc5ccccc5)CC4)nc1)[C@@H](C2)C3=O ZINC000587445972 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(Cc5ccccc5)CC4)nc1)[C@@H](C2)C3=O ZINC000587445975 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447487 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447489 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(S(C)(=O)=O)cc1)(c1ccc(C)nc1)[C@@H](C2)C3=O ZINC000587447708 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(S(C)(=O)=O)cc1)(c1ccc(C)nc1)[C@@H](C2)C3=O ZINC000587447709 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(S(=O)(=O)N(C)C)cc4)o1)[C@@H](C2)C3=O ZINC000587447722 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(=O)(=O)N(C)C)cc4)o1)[C@@H](C2)C3=O ZINC000587447723 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587447752 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587447753 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587448275 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587448276 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4ccc(S(=O)(=O)N(C)C)cc14)[C@@H](C2)C3=O ZINC000587448309 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4ccc(S(=O)(=O)N(C)C)cc14)[C@@H](C2)C3=O ZINC000587448317 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N4CCC(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587448472 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N4CCC(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587448473 IH Annotated Anodyne COc1cc2c3c(c1)OC(c1ccc(C(=O)O)cc1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448862 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC4=NS(=O)(=O)c5ccccc54)cc1)[C@@H](C2)C3=O ZINC000587449245 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC4=NS(=O)(=O)c5ccccc54)cc1)[C@@H](C2)C3=O ZINC000587449253 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CC(=O)O)cc41)[C@@H](C2)C3=O ZINC000587449258 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CC(=O)O)cc41)[C@@H](C2)C3=O ZINC000587449266 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(S)nc4ccccc14)(c1nccn1C)[C@@H](C2)C3=O ZINC000587449691 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(S)nc4ccccc14)(c1nccn1C)[C@@H](C2)C3=O ZINC000587449699 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4cc(O)c(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587450011 IH Annotated Clean COc1cc2c3c(c1)O[C@]1(C=C(c4cc(O)c(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587450013 IH Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCc4scnc4C)c4ccccc41)[C@@H](C2)C3=O ZINC000587450125 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CCc4scnc4C)c4ccccc41)[C@@H](C2)C3=O ZINC000587450126 IH Annotated Anodyne C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587450235 IH Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587450237 IH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N4CCCCCC4)cc1)[C@@H](C2)C3=O ZINC000587450338 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N4CCCCCC4)cc1)[C@@H](C2)C3=O ZINC000587450342 IH Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)CC1 ZINC000587450399 IH Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)CC1 ZINC000587450403 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)c(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587450751 IH Annotated Unstable COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)c(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587450772 IH Annotated Unstable COc1cc2c3c(c1)O[C@@]1(c4ccc(S(=O)(=O)Cl)cc4CC[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587450838 IH Annotated Unstable COc1cc2c3c(c1)O[C@]1(c4ccc(S(=O)(=O)Cl)cc4CC[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587450845 IH Annotated Unstable COc1cc2c3c(c1)O[C@@]1(c4ccc(S(=O)(=O)Cl)cc4CC[C@H]1Cl)[C@@H](C2)C3=O ZINC000587450854 IH Annotated Unstable COc1cc2c3c(c1)O[C@]1(c4ccc(S(=O)(=O)Cl)cc4CC[C@H]1Cl)[C@@H](C2)C3=O ZINC000587450855 IH Annotated Unstable COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450964 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450968 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cccnc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587451374 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cccnc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587451381 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587451516 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587451517 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587451999 IH Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452002 IH Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452003 IH Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452004 IH Annotated Clean COC(=O)Cc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1OC2 ZINC000587452063 IH Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1OC2 ZINC000587452064 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CSc4nncn4C)c1)[C@@H](C2)C3=O ZINC000587452321 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CSc4nncn4C)c1)[C@@H](C2)C3=O ZINC000587452322 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587452432 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587452434 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(CC(=O)O)ccc4COc4ccccc41)[C@@H](C2)C3=O ZINC000587452887 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(CC(=O)O)ccc4COc4ccccc41)[C@@H](C2)C3=O ZINC000587452893 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4nc(Cl)nc(N5CCOCC5)c4s1)[C@@H](C2)C3=O ZINC000587453081 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4nc(Cl)nc(N5CCOCC5)c4s1)[C@@H](C2)C3=O ZINC000587453082 IH Annotated Anodyne COc1cc2c3c(c1)OC1(c4cc(C(=O)O)ccc4-c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587453574 IH Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453695 IH Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453697 IH Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1([C@H](C)Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453699 IH Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1([C@@H](C)Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453701 IH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4COc4ccc(CC(=O)O)cc41)[C@@H](C2)C3=O ZINC000587454533 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4COc4ccc(CC(=O)O)cc41)[C@@H](C2)C3=O ZINC000587454535 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCN(c5ccccc5)CC4)s1)[C@@H](C2)C3=O ZINC000587454630 IH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCN(c5ccccc5)CC4)s1)[C@@H](C2)C3=O ZINC000587454632 IH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCCO4)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587454855 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCCO4)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587454856 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)ccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455175 IH Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)ccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455176 IH Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)ccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455177 IH Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)ccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455178 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(=O)OCC)no1)CC2=O ZINC000587455517 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(=O)OCC)no1)CC2=O ZINC000587455519 IH Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587455844 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587455845 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587455846 IH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587455848 IH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587456366 IH Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587456370 IH Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587456373 IH Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587456377 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@](CNC(=O)CBr)(c1ccccc1)CC2=O ZINC000587457303 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CNC(=O)CBr)(c1ccccc1)CC2=O ZINC000587457305 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(OC)ccc(Br)c21 ZINC000587457723 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(OC)ccc(Br)c21 ZINC000587457724 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)CC2=O ZINC000587457737 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)CC2=O ZINC000587457738 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)CC2=O ZINC000587457739 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)CC2=O ZINC000587457740 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cc(C(=O)O)cc21 ZINC000587458221 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cc(C(=O)O)cc21 ZINC000587458222 IH Annotated Anodyne C#CCN1C(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cc(Br)ccc21 ZINC000587458990 IH Annotated Mild C#CCN1C(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cc(Br)ccc21 ZINC000587458993 IH Annotated Mild CCCc1c(O)ccc2c1OC1(CCN(c3ncc(Br)cn3)CC1)CC2=O ZINC000587459182 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2cccc(Cl)c2)N=C1C(=O)O ZINC000587459345 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2cccc(Cl)c2)N=C1C(=O)O ZINC000587459352 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(OC)cc(Br)c21 ZINC000587460152 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(OC)cc(Br)c21 ZINC000587460155 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@H]1Br)CC2=O ZINC000587461460 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@@H]1Br)CC2=O ZINC000587461467 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C[C@@H]1Br)CC2=O ZINC000587461474 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C[C@H]1Br)CC2=O ZINC000587461480 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(CCO)CC3)cc1Cl)CC2=O ZINC000587461608 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(CCO)CC3)cc1Cl)CC2=O ZINC000587461618 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(CCN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587461669 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(CCN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587461677 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@@H]1Br ZINC000587461783 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@H]1Br ZINC000587461784 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@@H]1Br ZINC000587461785 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@H]1Br ZINC000587461789 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cncc(Br)c1)CC2=O ZINC000587461840 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cncc(Br)c1)CC2=O ZINC000587461841 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(O)(O)C(F)(F)F)=COc2ccccc21 ZINC000587463027 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(O)(O)C(F)(F)F)=COc2ccccc21 ZINC000587463028 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3nnnn3C)c(Cl)c1)CC2=O ZINC000587463107 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3nnnn3C)c(Cl)c1)CC2=O ZINC000587463108 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccccc1Cl)CC2=O ZINC000587463113 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1Cl)CC2=O ZINC000587463114 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)CC2=O ZINC000587464519 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)CC2=O ZINC000587464520 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC(F)F)cc1)CC2=O ZINC000587466137 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC(F)F)cc1)CC2=O ZINC000587466144 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(I)cc21 ZINC000587466691 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(I)cc21 ZINC000587466696 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587467480 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587467487 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(I)cccc21 ZINC000587468104 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(I)cccc21 ZINC000587468106 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccc(OC(F)F)c1)CC2=O ZINC000587468392 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(C)c1)(c1cc(F)ccc1O)CC2=O ZINC000587468393 IH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccc(OC(F)F)c1)CC2=O ZINC000587468395 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(C)c1)(c1cc(F)ccc1O)CC2=O ZINC000587468399 IH Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(Cn1cc(I)c(C)n1)CC2=O ZINC000587468519 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1cc(I)c(C)n1)CC2=O ZINC000587468540 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(I)ccc21 ZINC000587469289 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(I)ccc21 ZINC000587469291 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)NC[C@@H]1CCCO1)CC2=O ZINC000587469521 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)NC[C@H]1CCCO1)CC2=O ZINC000587469522 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)NC[C@@H]1CCCO1)CC2=O ZINC000587469523 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)NC[C@H]1CCCO1)CC2=O ZINC000587469524 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nn(C)cc1I)CC2=O ZINC000587470305 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nn(C)cc1I)CC2=O ZINC000587470306 IH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC1)CC2=O ZINC000587470460 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cn(C)c3ccccc13)CC2=O ZINC000587470565 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cn(C)c3ccccc13)CC2=O ZINC000587470566 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(I)cnn1C)CC2=O ZINC000587470744 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(I)cnn1C)CC2=O ZINC000587470745 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000587470813 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000587470817 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000587470819 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000587470822 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(I)c21 ZINC000587471060 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(I)c21 ZINC000587471061 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C(=O)O)n(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587471821 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(=O)O)n(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587471822 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)NC(=O)CCC(=O)O)CC2=O ZINC000587471930 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)NC(=O)CCC(=O)O)CC2=O ZINC000587471931 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)NC(=O)CCC(=O)O)CC2=O ZINC000587471932 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)NC(=O)CCC(=O)O)CC2=O ZINC000587471933 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(=NNc1ccccc1OC)C(=O)OC)CC2=O ZINC000587472182 IH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(C(=NNc1ccccc1OC)C(=O)OC)CC2=O ZINC000587472183 IH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NC[C@@H]3CCCO3)cc1)CC2=O ZINC000587472217 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NC[C@H]3CCCO3)cc1)CC2=O ZINC000587472218 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NC[C@@H]3CCCO3)cc1)CC2=O ZINC000587472219 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NC[C@H]3CCCO3)cc1)CC2=O ZINC000587472220 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472553 IH Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472554 IH Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(CC(N)=O)c1N)CC2=O ZINC000587472724 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(CC(N)=O)c1N)CC2=O ZINC000587472725 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(I)cc1)CC2=O ZINC000587473111 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(I)cc1)CC2=O ZINC000587473112 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1ncc(I)c1C)CC2=O ZINC000587473181 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1ncc(I)c1C)CC2=O ZINC000587473182 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473343 IH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473344 IH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473345 IH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473346 IH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)CC2=O ZINC000587473570 IH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)CC2=O ZINC000587473571 IH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@H](C)C(=O)O)CC2=O ZINC000587473602 IH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)CC2=O ZINC000587473603 IH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)CC2=O ZINC000587473604 IH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@H](C)C(=O)O)CC2=O ZINC000587473605 IH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(CN3CCOCC3)cc(OC)c1O)CC2=O ZINC000587473643 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(CN3CCOCC3)cc(OC)c1O)CC2=O ZINC000587473648 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC)CC2=O ZINC000587473888 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC)CC2=O ZINC000587473889 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC)CC2=O ZINC000587473890 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC)CC2=O ZINC000587473891 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)OCC ZINC000587473899 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)OCC ZINC000587473908 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)OCC ZINC000587473909 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)OCC ZINC000587473910 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3nnnn3C)c(OCC)c1)CC2=O ZINC000587473987 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3nnnn3C)c(OCC)c1)CC2=O ZINC000587473988 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCCN1CCOCC1)CC2=O ZINC000587474225 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCCN1CCOCC1)CC2=O ZINC000587474227 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(=O)OCC)CC3)o1)CC2=O ZINC000587474263 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(=O)OCC)CC3)o1)CC2=O ZINC000587474264 IH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN([C@]3(C)CCN(C(=O)OCC)C3)CC1)CC2=O ZINC000587474543 IH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN([C@@]3(C)CCN(C(=O)OCC)C3)CC1)CC2=O ZINC000587474550 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]2C1 ZINC000587474594 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]2C1 ZINC000587474601 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]2C1 ZINC000587474604 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]2C1 ZINC000587474605 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587474724 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587474725 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1COC(C)=O)CC2=O ZINC000587474943 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1COC(C)=O)CC2=O ZINC000587474944 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1COC(C)=O)CC2=O ZINC000587474945 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1COC(C)=O)CC2=O ZINC000587474946 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3CCOCC3)c3ccccc13)CC2=O ZINC000587475132 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)N3CCOCC3)c3ccccc13)CC2=O ZINC000587475137 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)CC2=O ZINC000587475314 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)CC2=O ZINC000587475315 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)CC2=O ZINC000587475316 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)CC2=O ZINC000587475317 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)OC)CC2=O ZINC000587475515 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)OC)CC2=O ZINC000587475517 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)OC)CC2=O ZINC000587475520 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 ZINC000587475797 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 ZINC000587475798 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)OC)CC2=O ZINC000587475806 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CCC1(OC)OC ZINC000587475942 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CCC1(OC)OC ZINC000587475944 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c3c(c(OC)c4c1OCO4)CN(C)CC3)CC2=O ZINC000587476392 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c3c(c(OC)c4c1OCO4)CN(C)CC3)CC2=O ZINC000587476394 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c(C(=O)OC)c1)CC2=O ZINC000587476633 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c(C(=O)OC)c1)CC2=O ZINC000587476635 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OCC ZINC000587476641 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OCC ZINC000587476642 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OCC ZINC000587476643 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OCC ZINC000587476644 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(OC)cc1)CC2=O ZINC000587477076 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(OC)cc1)CC2=O ZINC000587477078 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)CC2=O ZINC000587477313 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587477315 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587477316 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)CC2=O ZINC000587477324 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477337 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477340 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)CC2=O ZINC000587477429 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)CC2=O ZINC000587477431 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)CC2=O ZINC000587477433 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)CC2=O ZINC000587477434 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587477609 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587477613 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](OC(=O)c1ccccc1)C(=O)OCC)CC2=O ZINC000587477627 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](OC(=O)c1ccccc1)C(=O)OCC)CC2=O ZINC000587477634 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](OC(=O)c1ccccc1)C(=O)OCC)CC2=O ZINC000587477636 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](OC(=O)c1ccccc1)C(=O)OCC)CC2=O ZINC000587477637 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)CC2=O ZINC000587478594 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)CC2=O ZINC000587478618 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)CC2=O ZINC000587478623 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)CC2=O ZINC000587478625 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OCC)cc1)CC2=O ZINC000587479251 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OCC)cc1)CC2=O ZINC000587479252 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 ZINC000587479471 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 ZINC000587479490 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587480163 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587480168 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CN3CCN(C2)CC1(Cc1ccccc1)C3 ZINC000587480776 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CN3CCN(C2)CC1(Cc1ccccc1)C3 ZINC000587480786 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587481141 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587481144 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1)CC2=O ZINC000587482149 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1)CC2=O ZINC000587482305 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1)CC2=O ZINC000587482307 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1)CC2=O ZINC000587482310 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)CC2=O ZINC000587482424 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)CC2=O ZINC000587482467 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)c1cccc(C)n1)(c1ccc3ncnn3c1)CC2=O ZINC000587482641 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1cccc(C)n1)(c1ccc3ncnn3c1)CC2=O ZINC000587482654 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587482821 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587482828 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1cccc(OC)c1)CC2=O ZINC000587483047 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cccc(OC)c1)CC2=O ZINC000587483048 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)NCC(OC)OC)c1C)CC2=O ZINC000587483164 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)NCC(OC)OC)c1C)CC2=O ZINC000587483167 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N1CCC[C@H]1C(=O)OC)(C(C)(C)CC)CC2=O ZINC000587483709 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCC[C@H]1C(=O)OC)(C(C)(C)CC)CC2=O ZINC000587483713 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(S(N)(=O)=O)c1)(C1CC1)CC2=O ZINC000587485184 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(S(N)(=O)=O)c1)(C1CC1)CC2=O ZINC000587485186 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc3ncnn3c1)(c1cccc(C)n1)CC2=O ZINC000587485224 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc3ncnn3c1)(c1cccc(C)n1)CC2=O ZINC000587485226 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(ccc(O)c2O)C(=O)c2c(O)ccc(O)c21 ZINC000587485286 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(ccc(O)c2O)C(=O)c2c(O)ccc(O)c21 ZINC000587485291 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1(C)C ZINC000587485617 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1(C)C ZINC000587485621 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@]13CCNC3)CC2=O ZINC000587485678 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@]13CCNC3)CC2=O ZINC000587485679 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@]13CCNC3)CC2=O ZINC000587485682 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@]13CCNC3)CC2=O ZINC000587485685 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 ZINC000587487393 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 ZINC000587487398 IH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587487797 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587487798 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587487799 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587487800 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(N)(=O)=O)cc3)o1)CC2=O ZINC000587488233 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(N)(=O)=O)cc3)o1)CC2=O ZINC000587488236 IH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3ccc(OC)cc3)CC1)CC2=O ZINC000587488262 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OC)[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC000587488587 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OC)[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC000587488588 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C(=O)OC)[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC000587488589 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C(=O)OC)[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC000587488590 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)OC)C1 ZINC000587488650 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)OC)C1 ZINC000587488652 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)OC)C1 ZINC000587488655 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)OC)C1 ZINC000587488659 IH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3ccc(C)cc3)CC1)CC2=O ZINC000587488939 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 ZINC000587489250 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 ZINC000587489254 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 ZINC000587489259 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 ZINC000587489263 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21 ZINC000587489431 IH Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21 ZINC000587489436 IH Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl ZINC000587489782 IH Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl ZINC000587489788 IH Annotated Unstable CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN3S(C)(=O)=O)CC2=O ZINC000587489852 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN3S(C)(=O)=O)CC2=O ZINC000587489854 IH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2C(=O)c2cc(CO)cc(O)c21 ZINC000587490235 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cccc2C(=O)c2cc(CO)cc(O)c21 ZINC000587490239 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(C)=O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587490669 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(C)=O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587490672 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)nc3n1CCC3)CC2=O ZINC000587490993 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)nc3n1CCC3)CC2=O ZINC000587490994 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000587491041 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000587491045 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)CC2=O ZINC000587491563 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)CC2=O ZINC000587491564 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)CC2=O ZINC000587491565 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)CC2=O ZINC000587491566 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OCC(=O)OCC)OCO3)CC2=O ZINC000587491703 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OCC(=O)OCC)OCO3)CC2=O ZINC000587491709 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC(=O)CCC(=O)O)nc1C)CC2=O ZINC000587492140 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC(=O)CCC(=O)O)nc1C)CC2=O ZINC000587492142 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C#N)c(SCC(=O)O)nc1C)CC2=O ZINC000587492304 IH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cc(C#N)c(SCC(=O)O)nc1C)CC2=O ZINC000587492306 IH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(C[S@](=O)CC(=O)O)c1)CC2=O ZINC000587492309 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(C[S@@](=O)CC(=O)O)c1)CC2=O ZINC000587492349 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(C[S@](=O)CC(=O)O)c1)CC2=O ZINC000587492352 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(C[S@@](=O)CC(=O)O)c1)CC2=O ZINC000587492354 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]21 ZINC000587493559 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]21 ZINC000587493561 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]21 ZINC000587493562 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]21 ZINC000587493564 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccsc2N(C(C)C)C(=O)[C@H]1C(=O)OC ZINC000587494067 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccsc2N(C(C)C)C(=O)[C@@H]1C(=O)OC ZINC000587494069 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccsc2N(C(C)C)C(=O)[C@H]1C(=O)OC ZINC000587494071 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccsc2N(C(C)C)C(=O)[C@@H]1C(=O)OC ZINC000587494073 IH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000587494344 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)NCCC(=O)O)(c1cccs1)CC2=O ZINC000587495159 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)NCCC(=O)O)(c1cccs1)CC2=O ZINC000587495167 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1nc(=NC(=O)c3ccccc3)s[nH]1)CC2=O ZINC000587495705 IH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1nc(=NC(=O)c3ccccc3)s[nH]1)CC2=O ZINC000587495706 IH Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587496656 IH Annotated Anodyne O=C(O)c1cc(Br)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587496659 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587497014 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(C(O)(O)C(F)(F)F)=COc1ccccc12 ZINC000587497019 IH Annotated Anodyne NC(=O)c1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587497030 IH Annotated Reactive NC(=O)c1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587497032 IH Annotated Reactive O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497395 IH Annotated Anodyne O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497401 IH Annotated Anodyne CCOC(=O)c1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)on1 ZINC000587498389 IH Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)on1 ZINC000587498391 IH Annotated Reactive O=C(CBr)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498933 IH Annotated Reactive O=C(CBr)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498935 IH Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(I)cc12 ZINC000587501032 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(I)cc12 ZINC000587501036 IH Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587501344 IH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587501375 IH Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(I)cccc12 ZINC000587501862 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(I)cccc12 ZINC000587501866 IH Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502990 IH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502997 IH Annotated Anodyne Cn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587504787 IH Annotated Mild Cn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587504798 IH Annotated Mild O=C(O)CCC(=O)NC[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505261 IH Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505264 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505596 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505611 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507152 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507155 IH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587507158 IH Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587507165 IH Annotated Bother Nc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507242 IH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507269 IH Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507283 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(I)c12 ZINC000587508447 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(I)c12 ZINC000587508452 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(I)ccc12 ZINC000587509176 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(I)ccc12 ZINC000587509179 IH Annotated Anodyne Nc1ccc(O)c2c1C1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(N)ccc(O)c1C2=O ZINC000587509632 IH Annotated Anodyne O=C(COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC[C@H]1CCCO1 ZINC000587509708 IH Annotated Anodyne O=C(COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC[C@H]1CCCO1 ZINC000587509710 IH Annotated Anodyne O=C(COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC[C@@H]1CCCO1 ZINC000587509712 IH Annotated Anodyne O=C(COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC[C@@H]1CCCO1 ZINC000587509714 IH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512089 IH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512166 IH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512168 IH Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512258 IH Annotated Anodyne COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O ZINC000587512472 IH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O ZINC000587512473 IH Annotated Bother COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514477 IH Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514478 IH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514479 IH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514480 IH Annotated Anodyne O=C1C[C@@H](c2ccccc2OCC(=O)N2CCC(O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587514879 IH Annotated Anodyne O=C1C[C@H](c2ccccc2OCC(=O)N2CCC(O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587514880 IH Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)NC[C@@H]1CCCO1 ZINC000587514981 IH Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)NC[C@H]1CCCO1 ZINC000587514982 IH Annotated Anodyne O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)NC[C@@H]1CCCO1 ZINC000587514983 IH Annotated Anodyne O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)NC[C@H]1CCCO1 ZINC000587514984 IH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515578 IH Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515579 IH Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515580 IH Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515581 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515850 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515851 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515852 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515853 IH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515929 IH Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515931 IH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515932 IH Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515935 IH Annotated Anodyne O=C1C[C@@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587516160 IH Annotated Anodyne O=C1C[C@H](c2ccc(OCC(=O)N3CCC(O)CC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587516161 IH Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000587516330 IH Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000587516333 IH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1nnnn1C ZINC000587516527 IH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1nnnn1C ZINC000587516529 IH Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516884 IH Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516885 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516886 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516887 IH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587517014 IH Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587517015 IH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517091 IH Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517092 IH Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517093 IH Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517094 IH Annotated Anodyne COC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517306 IH Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517307 IH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517308 IH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517309 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]2[C@H]1C(=O)O ZINC000587517792 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]2[C@@H]1C(=O)O ZINC000587517793 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2[C@@H]1C(=O)O ZINC000587517794 IH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2[C@H]1C(=O)O ZINC000587517795 IH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517802 IH Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517803 IH Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518043 IH Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518044 IH Annotated Anodyne O=C1C[C@@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587518138 IH Annotated Anodyne O=C1C[C@]2(C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587518139 IH Annotated Anodyne O=C1C[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587518140 IH Annotated Anodyne O=C1C[C@]2(C[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587518141 IH Annotated Anodyne C[C@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518379 IH Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518380 IH Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587518400 IH Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587518401 IH Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587518402 IH Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587518403 IH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518776 IH Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518777 IH Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCN1CCOCC1 ZINC000587518859 IH Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCN1CCOCC1 ZINC000587518860 IH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]2C[C@@H]1C(=O)O ZINC000587519000 IH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C[C@H]1C(=O)O ZINC000587519001 IH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]2C[C@H]1C(=O)O ZINC000587519002 IH Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C[C@@H]1C(=O)O ZINC000587519003 IH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCN1CCOCC1 ZINC000587519037 IH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCN1CCOCC1 ZINC000587519038 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@]2(CCNC2)C1 ZINC000587519118 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@]2(CCNC2)C1 ZINC000587519119 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@]2(CCNC2)C1 ZINC000587519120 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@]2(CCNC2)C1 ZINC000587519121 IH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587519150 IH Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587519151 IH Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587519152 IH Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587519153 IH Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587519154 IH Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587519155 IH Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519179 IH Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519180 IH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519181 IH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519182 IH Annotated Anodyne C[C@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519296 IH Annotated Mild C[C@@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519297 IH Annotated Mild CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519358 IH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519359 IH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCN1CCOCC1 ZINC000587519360 IH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCN1CCOCC1 ZINC000587519361 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521192 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521199 IH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C)OC ZINC000587523006 IH Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C)OC ZINC000587523012 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523384 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523386 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523431 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523432 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587526260 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C1CN3CCN(C1)CC2(Cc1ccccc1)C3 ZINC000587526277 IH Annotated Anodyne CS(=O)(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCOCC1 ZINC000587529429 IH Annotated Anodyne CS(=O)(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCOCC1 ZINC000587529432 IH Annotated Anodyne CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529479 IH Annotated Anodyne CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529480 IH Annotated Anodyne O=C(O)CCNC(=O)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529715 IH Annotated Anodyne O=C(O)CCNC(=O)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529717 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587529818 IH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 ZINC000587529819 IH Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587529895 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(O)cccc1C(=O)c1cc(CO)cc(O)c12 ZINC000587529896 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587530456 IH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cccc(O)c1C(=O)c1c(O)cc(CO)cc12 ZINC000587530458 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587531253 IH Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531580 IH Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531590 IH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C[S@](=O)CC(=O)O ZINC000587531783 IH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C[S@@](=O)CC(=O)O ZINC000587531784 IH Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C[S@@](=O)CC(=O)O ZINC000587531785 IH Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C[S@](=O)CC(=O)O ZINC000587531786 IH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587532205 IH Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 ZINC000587532206 IH Annotated Clean CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532362 IH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532363 IH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532364 IH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532365 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532478 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]3C2)cc1 ZINC000587532483 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]3C2)cc1 ZINC000587532484 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532485 IH Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532635 IH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532638 IH Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532640 IH Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532641 IH Annotated Anodyne CS(=O)(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587532844 IH Annotated Reactive CS(=O)(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587532847 IH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533663 IH Annotated Reactive CS(=O)(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533668 IH Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534278 IH Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534279 IH Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N2CCOCC2)c1 ZINC000587534301 IH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N2CCOCC2)c1 ZINC000587534302 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535667 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535668 IH Annotated Anodyne CCOC(=O)C1([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587537063 IH Annotated Reactive CCOC(=O)C1([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587537066 IH Annotated Reactive CCOC(=O)C1([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587537067 IH Annotated Reactive CCOC(=O)C1([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587537068 IH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CBr)CBr ZINC000587537164 IH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CBr)CBr ZINC000587537165 IH Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538335 IH Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538336 IH Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538337 IH Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538338 IH Annotated Reactive O=C1C[C@@H](c2c(N3CCSCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587538801 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(Br)c12 ZINC000587538803 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(Br)c12 ZINC000587538810 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(Br)c12 ZINC000587538812 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(Br)c12 ZINC000587538815 IH Annotated Anodyne O=C1C[C@H](c2c(N3CCSCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587538821 IH Annotated Anodyne CC(C)(C)[C@]1(CNC(=O)CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538971 IH Annotated Reactive CC(C)(C)[C@]1(CNC(=O)CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538972 IH Annotated Reactive CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538973 IH Annotated Reactive CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538974 IH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000587539153 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000587539156 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000587539158 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000587539161 IH Annotated Anodyne CCOC(=O)C[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539692 IH Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539693 IH Annotated Reactive CCOC(=O)C[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539694 IH Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539695 IH Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539987 IH Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539988 IH Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539990 IH Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539991 IH Annotated Reactive Cn1c(C(=O)O)cc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540168 IH Annotated Anodyne Cn1c(C(=O)O)cc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540169 IH Annotated Anodyne Cn1c(C(=O)O)cc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540170 IH Annotated Anodyne Cn1c(C(=O)O)cc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540171 IH Annotated Anodyne NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540495 IH Annotated Anodyne NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540502 IH Annotated Anodyne NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540504 IH Annotated Anodyne NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540506 IH Annotated Anodyne O=C1COc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 ZINC000587541661 IH Annotated Reactive O=C1COc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 ZINC000587541662 IH Annotated Reactive O=C1COc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 ZINC000587541663 IH Annotated Reactive O=C1COc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 ZINC000587541664 IH Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587542043 IH Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587542044 IH Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587542045 IH Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587542046 IH Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542578 IH Annotated Reactive C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542581 IH Annotated Reactive C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542583 IH Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542585 IH Annotated Reactive COc1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587543644 IH Annotated Anodyne COc1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587543673 IH Annotated Anodyne COc1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587543674 IH Annotated Anodyne COc1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587543675 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cccc12 ZINC000587543735 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cccc12 ZINC000587543736 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cccc12 ZINC000587543737 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cccc12 ZINC000587543738 IH Annotated Anodyne Cn1c(=O)oc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587543846 IH Annotated Reactive Cn1c(=O)oc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587543847 IH Annotated Reactive Cn1c(=O)oc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587543848 IH Annotated Reactive Cn1c(=O)oc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587543849 IH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cnc(Br)cn12 ZINC000587545343 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cnc(Br)cn12 ZINC000587545347 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cnc(Br)cn12 ZINC000587545349 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cnc(Br)cn12 ZINC000587545351 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Br)ccc12 ZINC000587545466 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Br)ccc12 ZINC000587545467 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Br)ccc12 ZINC000587545468 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Br)ccc12 ZINC000587545469 IH Annotated Anodyne O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545639 IH Annotated Reactive O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545640 IH Annotated Reactive O=C(CCCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545641 IH Annotated Reactive O=C(CCCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545642 IH Annotated Reactive NC(=O)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546764 IH Annotated Reactive NC(=O)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546767 IH Annotated Reactive NC(=O)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546769 IH Annotated Reactive NC(=O)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546771 IH Annotated Reactive COC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547029 IH Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547030 IH Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547031 IH Annotated Anodyne COC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547032 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)c(Cl)c1)C(O)O ZINC000587549326 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)c(Cl)c1)C(O)O ZINC000587549331 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)c(Cl)c1)C(O)O ZINC000587549334 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)c(Cl)c1)C(O)O ZINC000587549337 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(C(F)(F)F)cc1)C(O)O ZINC000587550666 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(C(F)(F)F)cc1)C(O)O ZINC000587550667 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(C(F)(F)F)cc1)C(O)O ZINC000587550668 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(C(F)(F)F)cc1)C(O)O ZINC000587550669 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550686 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550687 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550688 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550689 IH Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N2CCCC2)n1 ZINC000587551108 IH Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N2CCCC2)n1 ZINC000587551109 IH Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N2CCCC2)n1 ZINC000587551110 IH Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N2CCCC2)n1 ZINC000587551111 IH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587551112 IH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587551113 IH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587551114 IH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587551115 IH Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551228 IH Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551229 IH Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551230 IH Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551231 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1N1CCOCC1 ZINC000587552037 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1N1CCOCC1 ZINC000587552038 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1N1CCOCC1 ZINC000587552039 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1N1CCOCC1 ZINC000587552040 IH Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552293 IH Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552294 IH Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552295 IH Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552296 IH Annotated Anodyne CCn1cc(Cl)c([C@@]2(CC(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587552866 IH Annotated Anodyne CCn1cc(Cl)c([C@@]2(CC(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587552871 IH Annotated Anodyne CCn1cc(Cl)c([C@]2(CC(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587552873 IH Annotated Anodyne CCn1cc(Cl)c([C@]2(CC(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587552876 IH Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554502 IH Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554504 IH Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554506 IH Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554510 IH Annotated Anodyne C[C@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555325 IH Annotated Anodyne C[C@@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555332 IH Annotated Anodyne C[C@@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555335 IH Annotated Anodyne C[C@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555338 IH Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556266 IH Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556268 IH Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556269 IH Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556272 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587556389 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587556398 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587556403 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587556405 IH Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2cc3c(O)nc(O)nc3nc21 ZINC000587556556 IH Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2cc3c(O)nc(O)nc3nc21 ZINC000587556562 IH Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2cc3c(O)nc(O)nc3nc21 ZINC000587556563 IH Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2cc3c(O)nc(O)nc3nc21 ZINC000587556564 IH Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587556724 IH Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587556728 IH Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587556731 IH Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587556733 IH Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587557024 IH Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557347 IH Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557348 IH Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557349 IH Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557350 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587558294 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587558295 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587558296 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587558297 IH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558641 IH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558642 IH Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558643 IH Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558644 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559065 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559066 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559067 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559068 IH Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 ZINC000587559752 IH Annotated Anodyne CCCCCCc1cc2c(O)nc(O)nc2nc1-c1c(O)cc(O)cc1CC(=O)OCC ZINC000587560082 IH Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@@]21CC ZINC000587560227 IH Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)c2ccc3c(O)nc(O)nc3n2)[C@H]2CCC(=O)C=C12 ZINC000587560399 IH Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587560699 IH Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]12C ZINC000587560904 IH Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 ZINC000587561994 IH Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@H]12 ZINC000587562010 IH Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@H]12 ZINC000587562011 IH Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]3Cc4cc5c(O)nc(O)nc5nc4[C@@]3(C)CC[C@H]12 ZINC000587562014 IH Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000587562279 IH Annotated Anodyne Oc1nc(O)c2ccc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)nc2n1 ZINC000587562732 IH Annotated Unstable CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]12C ZINC000587562814 IH Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1Cc1cc3c(O)nc(O)nc3nc12)CC1(CC4)OCCO1 ZINC000587562824 IH Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587563336 IH Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587563338 IH Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587563340 IH Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2cc3c(O)nc(O)nc3nc21 ZINC000587563341 IH Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587564106 IH Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587564108 IH Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587564110 IH Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587564112 IH Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)C2CC2)cc1 ZINC000587564400 IH Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587565484 IH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587566289 IH Annotated Anodyne O=Cc1ccc(OCCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587566364 IH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587566403 IH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587566520 IH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587566577 IH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587566618 IH Annotated Anodyne O=Cc1ccc(OCCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587566715 IH Annotated Anodyne CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567021 IH Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567022 IH Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567023 IH Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567024 IH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccc(F)cc12 ZINC000587567265 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccc(F)cc12 ZINC000587567266 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccc(F)cc12 ZINC000587567267 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccc(F)cc12 ZINC000587567268 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567360 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567361 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567362 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567363 IH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587567933 IH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587567935 IH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587567936 IH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587567937 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568258 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568260 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568262 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568263 IH Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)c2)CC1 ZINC000587568469 IH Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)c2)CC1 ZINC000587568470 IH Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)c2)CC1 ZINC000587568471 IH Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)c2)CC1 ZINC000587568472 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000587569137 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000587569143 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000587569144 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000587569146 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](N=O)C2 ZINC000587569194 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](N=O)C2 ZINC000587569196 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](N=O)C2 ZINC000587569198 IH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](N=O)C2 ZINC000587569201 IH Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569367 IH Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569368 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569369 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569370 IH Annotated Anodyne COC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587569437 IH Annotated Anodyne COC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587569438 IH Annotated Anodyne COC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587569439 IH Annotated Anodyne COC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587569440 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569731 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569732 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569733 IH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569734 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1F ZINC000587570091 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1F ZINC000587570093 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1F ZINC000587570095 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1F ZINC000587570097 IH Annotated Anodyne CN(C)C(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570473 IH Annotated Anodyne CN(C)C(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570477 IH Annotated Anodyne CN(C)C(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570478 IH Annotated Anodyne CN(C)C(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570480 IH Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570488 IH Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570489 IH Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570490 IH Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570491 IH Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571622 IH Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571623 IH Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571624 IH Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571625 IH Annotated Mild CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572121 IH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572122 IH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572123 IH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572124 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572315 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572316 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572317 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572318 IH Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572457 IH Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572464 IH Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572466 IH Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572468 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1c(F)cccc12 ZINC000587572504 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1c(F)cccc12 ZINC000587572507 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1c(F)cccc12 ZINC000587572508 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1c(F)cccc12 ZINC000587572511 IH Annotated Anodyne CN(C)/C=C(\I)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572559 IH Annotated Anodyne CN(C)/C=C(\I)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572560 IH Annotated Anodyne CN(C)/C=C(\I)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572561 IH Annotated Anodyne CN(C)/C=C(\I)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572562 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ncccc1[N+](=O)[O-])CC2 ZINC000587572919 IH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ncccc1[N+](=O)[O-])CC2 ZINC000587572922 IH Annotated Bother C[C@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573619 IH Annotated Anodyne C[C@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573620 IH Annotated Anodyne C[C@@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573621 IH Annotated Anodyne C[C@@]1(c2ccc(N(CC(=O)O)N=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573622 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1cc(F)c(F)cc12 ZINC000587574146 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1cc(F)c(F)cc12 ZINC000587574154 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1cc(F)c(F)cc12 ZINC000587574156 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1cc(F)c(F)cc12 ZINC000587574157 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587574198 IH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587574202 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587574204 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587574206 IH Annotated Bother CC(C)(C)OC(=O)NC[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574623 IH Annotated Mild CC(C)(C)OC(=O)NC[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574624 IH Annotated Mild CC(C)(C)OC(=O)NC[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574625 IH Annotated Mild CC(C)(C)OC(=O)NC[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574626 IH Annotated Mild CN(C)C(=O)COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574631 IH Annotated Anodyne CN(C)C(=O)COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574632 IH Annotated Anodyne CN(C)C(=O)COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574633 IH Annotated Anodyne CN(C)C(=O)COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574634 IH Annotated Anodyne CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574681 IH Annotated Bother CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574682 IH Annotated Bother CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574683 IH Annotated Bother CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574684 IH Annotated Bother CCOC(=O)[C@@]1(c2nc3ccccc3n2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574754 IH Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574760 IH Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574762 IH Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574763 IH Annotated Anodyne C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575440 IH Annotated Anodyne C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575441 IH Annotated Anodyne C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575442 IH Annotated Anodyne C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575443 IH Annotated Anodyne O=CNc1ccccc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575824 IH Annotated Anodyne O=CNc1ccccc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575826 IH Annotated Anodyne O=CNc1ccccc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575827 IH Annotated Anodyne O=CNc1ccccc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575828 IH Annotated Anodyne [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575937 IH Annotated Clean [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575942 IH Annotated Clean [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575943 IH Annotated Clean [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575944 IH Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000587576370 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000587576372 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000587576373 IH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000587576374 IH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC000587576436 IH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC000587576438 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC000587576440 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC000587576442 IH Annotated Bother CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577010 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577012 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577015 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577017 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000587577254 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000587577255 IH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000587577256 IH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000587577257 IH Annotated Bother Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577391 IH Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577412 IH Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577415 IH Annotated Anodyne COC(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577417 IH Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577419 IH Annotated Anodyne COC(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577424 IH Annotated Anodyne COC(=O)[C@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577426 IH Annotated Anodyne COC(=O)[C@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577427 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587577441 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587577445 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587577447 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587577449 IH Annotated Anodyne C[C@@]1(c2cn(CC(N)=O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577531 IH Annotated Anodyne C[C@]1(c2cn(CC(N)=O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577533 IH Annotated Anodyne C[C@@]1(c2cn(CC(N)=O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577534 IH Annotated Anodyne C[C@]1(c2cn(CC(N)=O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577535 IH Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577809 IH Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577810 IH Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577811 IH Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577813 IH Annotated Anodyne Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577888 IH Annotated Bother Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577889 IH Annotated Bother Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577890 IH Annotated Bother Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577891 IH Annotated Bother Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O ZINC000587578115 IH Annotated Clean C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578116 IH Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O ZINC000587578117 IH Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O ZINC000587578118 IH Annotated Clean Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O ZINC000587578119 IH Annotated Clean C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578130 IH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578131 IH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578133 IH Annotated Anodyne NC(=O)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579256 IH Annotated Anodyne NC(=O)CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579265 IH Annotated Anodyne NC(=O)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579267 IH Annotated Anodyne NC(=O)CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579268 IH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCN1CCOCC1 ZINC000587579273 IH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCN1CCOCC1 ZINC000587579282 IH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCN1CCOCC1 ZINC000587579284 IH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCN1CCOCC1 ZINC000587579286 IH Annotated Anodyne COC(=O)c1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587579488 IH Annotated Anodyne COC(=O)c1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587579489 IH Annotated Anodyne COC(=O)c1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587579490 IH Annotated Anodyne COC(=O)c1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587579491 IH Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C\C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579552 IH Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C\C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579556 IH Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C/C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579561 IH Annotated Anodyne C[C@]1(c2ccc(NC(=O)/C=C/C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579565 IH Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579571 IH Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579575 IH Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579580 IH Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579585 IH Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579752 IH Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579753 IH Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579754 IH Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579755 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579864 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579865 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579866 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579867 IH Annotated Anodyne COC(=O)C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580042 IH Annotated Anodyne COC(=O)C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580051 IH Annotated Anodyne COC(=O)C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580052 IH Annotated Anodyne COC(=O)C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580053 IH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580228 IH Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580229 IH Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580230 IH Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580231 IH Annotated Mild CCOC(=O)C1CCN(C(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587580242 IH Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587580243 IH Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587580244 IH Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587580245 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587580293 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587580295 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587580297 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587580299 IH Annotated Anodyne C[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580669 IH Annotated Anodyne C[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580670 IH Annotated Anodyne C[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580671 IH Annotated Anodyne C[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580673 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cnn(-c2ccccc2)c1 ZINC000587580905 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cnn(-c2ccccc2)c1 ZINC000587580908 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cnn(-c2ccccc2)c1 ZINC000587580910 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cnn(-c2ccccc2)c1 ZINC000587580911 IH Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581104 IH Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581113 IH Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581115 IH Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581117 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(NCc2ccccc2)nc1 ZINC000587581272 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(NCc2ccccc2)nc1 ZINC000587581280 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(NCc2ccccc2)nc1 ZINC000587581282 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(NCc2ccccc2)nc1 ZINC000587581284 IH Annotated Anodyne C[C@@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581347 IH Annotated Anodyne C[C@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581352 IH Annotated Anodyne C[C@@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581354 IH Annotated Anodyne C[C@]1(c2cc(N3CCC(O)CC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581355 IH Annotated Anodyne O=C(COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)NC1CC1 ZINC000587581359 IH Annotated Anodyne O=C(COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)NC1CC1 ZINC000587581360 IH Annotated Anodyne O=C(COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)NC1CC1 ZINC000587581361 IH Annotated Anodyne O=C(COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)NC1CC1 ZINC000587581363 IH Annotated Anodyne O=C(O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581405 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C[C@H]2C(=O)O ZINC000587581407 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C[C@H]2C(=O)O ZINC000587581409 IH Annotated Anodyne O=C(O)[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581410 IH Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581620 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581622 IH Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581624 IH Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581627 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581681 IH Annotated Mild CC(C)(C)OC(=O)N1CC([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581682 IH Annotated Mild CC(C)(C)OC(=O)N1CC([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581683 IH Annotated Mild CC(C)(C)OC(=O)N1CC([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581684 IH Annotated Mild C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581840 IH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581841 IH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581842 IH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581843 IH Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)cc1 ZINC000587582126 IH Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)cc1 ZINC000587582127 IH Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)cc1 ZINC000587582128 IH Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)cc1 ZINC000587582129 IH Annotated Anodyne C[C@@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582213 IH Annotated Anodyne C[C@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582218 IH Annotated Anodyne C[C@@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582219 IH Annotated Anodyne C[C@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582221 IH Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582227 IH Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582228 IH Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582230 IH Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582232 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582428 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582429 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582430 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582431 IH Annotated Anodyne C[C@@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582492 IH Annotated Anodyne C[C@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582493 IH Annotated Anodyne C[C@@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582494 IH Annotated Anodyne C[C@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582495 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN(Cc1ccccc1)C(=O)C21CC1 ZINC000587582504 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN(Cc1ccccc1)C(=O)C21CC1 ZINC000587582505 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CN(Cc1ccccc1)C(=O)C21CC1 ZINC000587582506 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CN(Cc1ccccc1)C(=O)C21CC1 ZINC000587582507 IH Annotated Anodyne CC(C)([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1C(=O)c2ccccc2C1=O ZINC000587582536 IH Annotated Anodyne CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1C(=O)c2ccccc2C1=O ZINC000587582537 IH Annotated Anodyne CC(C)([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1C(=O)c2ccccc2C1=O ZINC000587582538 IH Annotated Anodyne CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1C(=O)c2ccccc2C1=O ZINC000587582539 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587582710 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587582711 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587582712 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587582713 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N(C[C@H]1CCCCO1)CC2 ZINC000587582728 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N(C[C@@H]1CCCCO1)CC2 ZINC000587582729 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N(C[C@H]1CCCCO1)CC2 ZINC000587582730 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N(C[C@@H]1CCCCO1)CC2 ZINC000587582731 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCN1C(=O)c2ccccc2C1=O ZINC000587582740 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCN1C(=O)c2ccccc2C1=O ZINC000587582741 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCN1C(=O)c2ccccc2C1=O ZINC000587582742 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCN1C(=O)c2ccccc2C1=O ZINC000587582743 IH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582812 IH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582813 IH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582814 IH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582815 IH Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583023 IH Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583027 IH Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583029 IH Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583031 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C#N)C1 ZINC000587583259 IH Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C#N)C1 ZINC000587583262 IH Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C#N)C1 ZINC000587583264 IH Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C#N)C1 ZINC000587583266 IH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cnn(-c2ccccc2)c1)C(=O)O ZINC000587583372 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cnn(-c2ccccc2)c1)C(=O)O ZINC000587583373 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cnn(-c2ccccc2)c1)C(=O)O ZINC000587583374 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cnn(-c2ccccc2)c1)C(=O)O ZINC000587583375 IH Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587583485 IH Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587583486 IH Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587583488 IH Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587583490 IH Annotated Anodyne C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584483 IH Annotated Anodyne C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584484 IH Annotated Anodyne C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584485 IH Annotated Anodyne C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584486 IH Annotated Anodyne COc1cc(N2CCOCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584763 IH Annotated Anodyne COc1cc(N2CCOCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584765 IH Annotated Anodyne COc1cc(N2CCOCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584767 IH Annotated Anodyne COc1cc(N2CCOCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584769 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@]1(CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584771 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@@]1(CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584772 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@]1(CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584774 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C[C@@]1(CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584776 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCN1CCOCC1 ZINC000587584809 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCN1CCOCC1 ZINC000587584814 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCN1CCOCC1 ZINC000587584817 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCN1CCOCC1 ZINC000587584818 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(N2CCCCC2)cc1)C(O)O ZINC000587584851 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(N2CCCCC2)cc1)C(O)O ZINC000587584856 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCCCC2)cc1)C(O)O ZINC000587584860 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCCCC2)cc1)C(O)O ZINC000587584863 IH Annotated Anodyne O=C(O)CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585091 IH Annotated Anodyne O=C(O)CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585093 IH Annotated Anodyne O=C(O)CCN1N=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585095 IH Annotated Anodyne O=C(O)CCN1N=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585097 IH Annotated Anodyne N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587585190 IH Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587585200 IH Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587585205 IH Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587585210 IH Annotated Mild CCN1N=C(C(=O)O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585360 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585361 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585362 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585363 IH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2c(C=O)cccc12 ZINC000587585601 IH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2c(C=O)cccc12 ZINC000587585602 IH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2c(C=O)cccc12 ZINC000587585603 IH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2c(C=O)cccc12 ZINC000587585604 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@H](O)[C@@H](C2)N1Cc1ccccc1 ZINC000587585640 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1C[C@H](O)[C@@H](C2)N1Cc1ccccc1 ZINC000587585641 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H](O)[C@@H](C2)N1Cc1ccccc1 ZINC000587585642 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1C[C@@H](O)[C@@H](C2)N1Cc1ccccc1 ZINC000587585643 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)[C@H](O)c1ccccn1 ZINC000587585837 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)[C@H](O)c1ccccn1 ZINC000587585838 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)[C@@H](O)c1ccccn1 ZINC000587585839 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)[C@@H](O)c1ccccn1 ZINC000587585840 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586036 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586038 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586040 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586042 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586172 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586174 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586175 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586177 IH Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586178 IH Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586180 IH Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586181 IH Annotated Anodyne O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586183 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCOCC2)nc2ccccn12 ZINC000587586542 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCOCC2)nc2ccccn12 ZINC000587586562 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCOCC2)nc2ccccn12 ZINC000587586565 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCOCC2)nc2ccccn12 ZINC000587586567 IH Annotated Anodyne CCOCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587167 IH Annotated Anodyne CCOCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587169 IH Annotated Anodyne CCOCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587172 IH Annotated Anodyne CCOCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587174 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587368 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587369 IH Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587370 IH Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587371 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1nc3nonc3nc12 ZINC000587587376 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1nc3nonc3nc12 ZINC000587587377 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1nc3nonc3nc12 ZINC000587587378 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1nc3nonc3nc12 ZINC000587587379 IH Annotated Anodyne C[C@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587451 IH Annotated Anodyne C[C@@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587454 IH Annotated Anodyne C[C@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587456 IH Annotated Anodyne C[C@@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587459 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587559 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587566 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587568 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587571 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587992 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587994 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587996 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587997 IH Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc12 ZINC000587588804 IH Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc12 ZINC000587588807 IH Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc12 ZINC000587588808 IH Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc12 ZINC000587588810 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587589277 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587589278 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587589279 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587589280 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589475 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589476 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589477 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589478 IH Annotated Anodyne NC(=O)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589685 IH Annotated Anodyne NC(=O)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589686 IH Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589687 IH Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589688 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587589829 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587589830 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587589831 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587589832 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589857 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589858 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589859 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589860 IH Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589879 IH Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589880 IH Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589881 IH Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589882 IH Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590129 IH Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590131 IH Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590133 IH Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590134 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590254 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590255 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590257 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590259 IH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590562 IH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590567 IH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590569 IH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590573 IH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@H](C)C(=O)O ZINC000587590741 IH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@@H](C)C(=O)O ZINC000587590742 IH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@H](C)C(=O)O ZINC000587590744 IH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@@H](C)C(=O)O ZINC000587590746 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(=O)N2CCOCC2)cc1 ZINC000587590947 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(=O)N2CCOCC2)cc1 ZINC000587590950 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(=O)N2CCOCC2)cc1 ZINC000587590953 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(=O)N2CCOCC2)cc1 ZINC000587590957 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587591087 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587591092 IH Annotated Anodyne O=C(O)c1nc[nH]c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591095 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587591097 IH Annotated Anodyne O=C(O)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591098 IH Annotated Anodyne O=C(O)c1nc[nH]c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591099 IH Annotated Anodyne O=C(O)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591102 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587591103 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587591111 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587591117 IH Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591307 IH Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591311 IH Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591313 IH Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591316 IH Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591656 IH Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591657 IH Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591658 IH Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591659 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587591835 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587591841 IH Annotated Anodyne COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587591843 IH Annotated Anodyne COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587591845 IH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O[C@@H](C)C(=O)O ZINC000587592375 IH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O[C@H](C)C(=O)O ZINC000587592378 IH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O[C@H](C)C(=O)O ZINC000587592380 IH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O[C@@H](C)C(=O)O ZINC000587592382 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCOCC1)c1ccccc1 ZINC000587593070 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCN1CCOCC1)c1ccccc1 ZINC000587593071 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCOCC1)c1ccccc1 ZINC000587593072 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCN1CCOCC1)c1ccccc1 ZINC000587593073 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593538 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593539 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593540 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587593541 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cccnc1=O)c1ccccc1 ZINC000587593568 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cccnc1=O)c1ccccc1 ZINC000587593569 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cccnc1=O)c1ccccc1 ZINC000587593570 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cccnc1=O)c1ccccc1 ZINC000587593571 IH Annotated Anodyne N#CC[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593611 IH Annotated Mild N#CC[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593620 IH Annotated Mild N#CC[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593622 IH Annotated Mild N#CC[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593625 IH Annotated Mild CN1CCN(Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O)CC1 ZINC000587594094 IH Annotated Clean CN1CCN(Cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O)CC1 ZINC000587594095 IH Annotated Clean CN1CCN(Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O)CC1 ZINC000587594097 IH Annotated Clean CN1CCN(Cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O)CC1 ZINC000587594099 IH Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594152 IH Annotated Clean C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594154 IH Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594155 IH Annotated Clean C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594156 IH Annotated Clean COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594895 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594897 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594899 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594900 IH Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595150 IH Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595151 IH Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595152 IH Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595153 IH Annotated Anodyne CN1CCC[C@H]([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587595658 IH Annotated Anodyne CN1CCC[C@H]([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587595661 IH Annotated Anodyne CN1CCC[C@H]([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587595664 IH Annotated Anodyne CN1CCC[C@H]([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587595668 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596102 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596106 IH Annotated Anodyne C[C@@]1(COc2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596299 IH Annotated Anodyne C[C@@]1(COc2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596300 IH Annotated Anodyne C[C@]1(COc2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596301 IH Annotated Anodyne C[C@]1(COc2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596302 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596319 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596320 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596414 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596415 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596416 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596417 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597305 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597306 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597307 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597308 IH Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597333 IH Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597334 IH Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597335 IH Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597336 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597357 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597358 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597359 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597360 IH Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597405 IH Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597406 IH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587597825 IH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587597841 IH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587597843 IH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587597846 IH Annotated Anodyne CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587598321 IH Annotated Anodyne CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587598323 IH Annotated Anodyne CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587598324 IH Annotated Anodyne CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587598326 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587598626 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587598630 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587598633 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587598636 IH Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598779 IH Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598780 IH Annotated Anodyne C[C@@]1(c2cc(N3CCOCC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599113 IH Annotated Anodyne C[C@]1(c2cc(N3CCOCC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599114 IH Annotated Anodyne C[C@@]1(c2cc(N3CCOCC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599115 IH Annotated Anodyne C[C@]1(c2cc(N3CCOCC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599116 IH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587599169 IH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587599171 IH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587599173 IH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(=O)O ZINC000587599175 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599743 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599744 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599745 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599746 IH Annotated Anodyne CC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)=O ZINC000587600159 IH Annotated Anodyne CC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)=O ZINC000587600160 IH Annotated Anodyne CC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)=O ZINC000587600161 IH Annotated Anodyne CC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)=O ZINC000587600162 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2C(=O)C(=O)O ZINC000587600825 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]2C(=O)C(=O)O ZINC000587600833 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H]2C(=O)C(=O)O ZINC000587600838 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2C(=O)C(=O)O ZINC000587600843 IH Annotated Anodyne COC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587601602 IH Annotated Mild COC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587601603 IH Annotated Mild COC1=C(OC)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587601604 IH Annotated Mild COC1=C(OC)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587601605 IH Annotated Mild COc1ccc2c([C@@]3(C(O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc2c1 ZINC000587601873 IH Annotated Anodyne COc1ccc2c([C@@]3(C(O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc2c1 ZINC000587601875 IH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc2c1 ZINC000587601877 IH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc2c1 ZINC000587601879 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604938 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604939 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604940 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604941 IH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1S(C)(=O)=O ZINC000587606318 IH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1S(C)(=O)=O ZINC000587606320 IH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1S(C)(=O)=O ZINC000587606321 IH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1S(C)(=O)=O ZINC000587606322 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606434 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606435 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606436 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606437 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606474 IH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606475 IH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606476 IH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606477 IH Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606666 IH Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606670 IH Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606672 IH Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606673 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587607043 IH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587607044 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587607045 IH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587607046 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607128 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607130 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607131 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607133 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587607236 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587607237 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587607238 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587607240 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608094 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608095 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608096 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608097 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608148 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608149 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608150 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608151 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608466 IH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608467 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608468 IH Annotated Anodyne CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608469 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608810 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608811 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608812 IH Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608814 IH Annotated Anodyne O=C(CCl)NC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608886 IH Annotated Reactive O=C(CCl)NC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608913 IH Annotated Reactive O=C(CCl)NC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608916 IH Annotated Reactive O=C(CCl)NC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608918 IH Annotated Reactive CNc1nc(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609032 IH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609043 IH Annotated Anodyne CNc1nc(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609045 IH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609047 IH Annotated Anodyne C[C@]1(c2cccc(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609307 IH Annotated Anodyne C[C@@]1(c2cccc(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609308 IH Annotated Anodyne C[C@]1(c2cccc(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609309 IH Annotated Anodyne C[C@@]1(c2cccc(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609310 IH Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587609570 IH Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587609571 IH Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587609572 IH Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587609573 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609838 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609840 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609843 IH Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609845 IH Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609846 IH Annotated Anodyne C[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609851 IH Annotated Anodyne C[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609854 IH Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609855 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610808 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610817 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610819 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610824 IH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610897 IH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610902 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610904 IH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610907 IH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610911 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610915 IH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610917 IH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610920 IH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610924 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610928 IH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610932 IH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610935 IH Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612453 IH Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612458 IH Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612460 IH Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612462 IH Annotated Anodyne COCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCO2 ZINC000587612919 IH Annotated Anodyne COCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCO2 ZINC000587612921 IH Annotated Anodyne COCCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCO2 ZINC000587612923 IH Annotated Anodyne COCCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCO2 ZINC000587612924 IH Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615440 IH Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615444 IH Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615445 IH Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615446 IH Annotated Anodyne CN1C(=O)CS/C1=C/[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616330 IH Annotated Anodyne CN1C(=O)CS/C1=C/[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616331 IH Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616332 IH Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616333 IH Annotated Anodyne Nc1nnc(SC[C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587616508 IH Annotated Anodyne Nc1nnc(SC[C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587616509 IH Annotated Anodyne Nc1nnc(SC[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587616510 IH Annotated Anodyne Nc1nnc(SC[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587616511 IH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C#N)c2c1 ZINC000587617745 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(OC)c2c1 ZINC000587618804 IH Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)C(F)F)c2c1 ZINC000587619499 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc[nH]3)c(C#N)c2c1 ZINC000587620238 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C#N)c2c1 ZINC000587620243 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccc(C)n3)c2c1 ZINC000587620263 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccnn3C)c(C)c2c1 ZINC000587620300 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H]3C[C@@H]3C)c(C#N)c2c1 ZINC000587620385 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H]3C[C@H]3C)c(C#N)c2c1 ZINC000587620421 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H]3C[C@@H]3C)c(C#N)c2c1 ZINC000587620423 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H]3C[C@H]3C)c(C#N)c2c1 ZINC000587620425 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccn(C)n3)c(C)c2c1 ZINC000587620489 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cc(C)cn3)c2c1 ZINC000587620505 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C#N)c2c1 ZINC000587620786 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cncn3C)c(C)c2c1 ZINC000587620923 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3nccn3C)c(C)c2c1 ZINC000587620926 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nccc3C)c2c1 ZINC000587620927 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cnn(C)c3)c2c1 ZINC000587620936 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ncccn3)c2c1 ZINC000587621063 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(C)c2c1 ZINC000587621129 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cnccn3)c2c1 ZINC000587621150 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccncc3)c(C#N)c2c1 ZINC000587621423 IH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnccn3)c(C)c2c1 ZINC000587621449 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(C)no3)c2c1 ZINC000587621486 IH Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(C)C)c(C#N)c2c1 ZINC000587621577 IH Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587621941 IH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587621942 IH Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1[N+](=O)[O-] ZINC000587622865 IH Annotated Bother COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CNC(=O)OC(C)(C)C ZINC000587623093 IH Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(OC)cc1F ZINC000587623095 IH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623128 IH Annotated Anodyne Cc1nn(C)c(C)c1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCOCC1 ZINC000587623193 IH Annotated Anodyne CCn1nc(C)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(=O)OC)c1C ZINC000587623350 IH Annotated Anodyne CCn1ncc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)c1C ZINC000587623372 IH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623376 IH Annotated Bother CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3c2c(Br)cc2n[nH]cc23)c1C ZINC000587623391 IH Annotated Anodyne CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)c(C)n1 ZINC000587623540 IH Annotated Anodyne CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623586 IH Annotated Anodyne COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623627 IH Annotated Anodyne CC(=O)Nc1ccc(O)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)c1 ZINC000587623694 IH Annotated Anodyne COC(=O)C(=NNc1ccc(OC)cc1)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)OC ZINC000587626324 IH Annotated Mild CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3c(C)cc(Cl)cc13)c(=O)n2C ZINC000587626332 IH Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587626877 IH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC ZINC000587630152 IH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC ZINC000587630203 IH Annotated Anodyne COC(=O)C(=NNc1ccc(OC)cc1)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)OC ZINC000587631430 IH Annotated Mild CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587631654 IH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC ZINC000587631713 IH Annotated Anodyne COC(=O)C(=NNc1ccc(OC)cc1)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)OC ZINC000587631881 IH Annotated Mild CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587631942 IH Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631988 IH Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC ZINC000587632192 IH Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cc(Cl)c(F)cc13)c(=O)n2C ZINC000587632324 IH Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587632340 IH Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3ccc(F)c(Cl)c13)c(=O)n2C ZINC000587632427 IH Annotated Anodyne O=C(O)c1cccc2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 ZINC000587636994 IH Annotated Reactive O=C(O)c1cccc2c(N3C(=O)c4ccccc4C3=O)c(CI)[nH]c12 ZINC000587638190 IH Annotated Reactive COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3c(C(=O)O)cccc23)C(C)(C)C1 ZINC000587639369 IH Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643869 IH Annotated Reactive O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645405 IH Annotated Reactive COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)OC ZINC000587645711 IH Annotated Bother COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC ZINC000587645875 IH Annotated Bother O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646151 IH Annotated Reactive CS(=O)(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(C(=O)C(F)(F)F)c2c1 ZINC000587648514 IH Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648595 IH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648689 IH Annotated Bother COc1ccc(Br)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(=O)O ZINC000587648706 IH Annotated Anodyne Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649336 IH Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCCO4)c2c1 ZINC000587650135 IH Annotated Anodyne Cc1ccc(Cl)c(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c1 ZINC000587650886 IH Annotated Anodyne O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651078 IH Annotated Anodyne O=C(c1ccc(Cn2cc(Br)cn2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651134 IH Annotated Anodyne Cc1c(Br)c(C(F)F)nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651149 IH Annotated Anodyne Cc1cc(Cl)ccc1OCn1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651198 IH Annotated Anodyne O=C(c1cccc(Cn2cc(Br)cn2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651204 IH Annotated Anodyne CCOc1c(Br)cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1OC ZINC000587651230 IH Annotated Anodyne O=C(c1cc(-c2cccc(Br)c2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651391 IH Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)ccc1Cl ZINC000587651402 IH Annotated Anodyne CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651419 IH Annotated Anodyne O=C(c1cc(Br)c(Br)[nH]1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651566 IH Annotated Anodyne O=C(c1cc(Br)c(Br)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651756 IH Annotated Anodyne O=C(c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651849 IH Annotated Bother O=C(n1ncc2ccc(Cl)cc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587652050 IH Annotated Anodyne O=C(c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652100 IH Annotated Bother O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652210 IH Annotated Anodyne O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652712 IH Annotated Bother Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(-n2nc3ccccc3n2)c1 ZINC000587652732 IH Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c(C)c1[N+](=O)[O-] ZINC000587652875 IH Annotated Bother Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000587652876 IH Annotated Bother CCCc1cc2c(=O)n([C@H](C)C(=O)n3ncc4ccc(Cl)cc4c3=O)cnc2s1 ZINC000587653421 IH Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3ncc4ccc(Cl)cc4c3=O)cnc2s1 ZINC000587653424 IH Annotated Anodyne O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653439 IH Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1ccccc1 ZINC000587653449 IH Annotated Anodyne Cc1nn(Cc2ccccc2C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587653526 IH Annotated Bother O=C(c1ccc(COc2cccc([N+](=O)[O-])c2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653553 IH Annotated Bother O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653555 IH Annotated Bother COc1ncc(Br)nc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653571 IH Annotated Anodyne Cn1ncc(Br)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653817 IH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 ZINC000587654121 IH Annotated Anodyne O=C(c1ccccc1NS(=O)(=O)c1cccs1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654129 IH Annotated Anodyne O=C(c1n[nH]cc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654256 IH Annotated Anodyne O=C(Cn1cc(Br)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654589 IH Annotated Anodyne Cn1cc(Br)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587654597 IH Annotated Anodyne Cc1[nH]nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Br ZINC000587654759 IH Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1 ZINC000587654861 IH Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655158 IH Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1cccc(F)c1 ZINC000587655358 IH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655524 IH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655525 IH Annotated Anodyne CS(=O)(=O)c1cc(F)ccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655561 IH Annotated Anodyne Cn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655596 IH Annotated Anodyne CC(C)(C)OC(=O)NCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655666 IH Annotated Anodyne Cc1nn(C)cc1-c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655755 IH Annotated Anodyne O=C(COc1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655781 IH Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587656050 IH Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C(F)(F)F ZINC000587656078 IH Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587656102 IH Annotated Bother Cc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587656107 IH Annotated Bother O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(Br)cn2ccnc12 ZINC000587656129 IH Annotated Anodyne O=C(Cc1ccc(O)c([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656147 IH Annotated Bother Cc1[nH]nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1Br ZINC000587656164 IH Annotated Anodyne O=C(c1nn(-c2ccccc2)cc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656207 IH Annotated Anodyne Cc1c(Br)cnn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656275 IH Annotated Anodyne NNC(=O)CCCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656435 IH Annotated Reactive CN(CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C(=O)OC(C)(C)C ZINC000587656482 IH Annotated Anodyne COc1ncc(Br)nc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656672 IH Annotated Anodyne O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656685 IH Annotated Bother Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656726 IH Annotated Bother Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656727 IH Annotated Bother CCn1cc(Br)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587656870 IH Annotated Anodyne O=C(Cn1cc(Br)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656876 IH Annotated Anodyne NNc1nc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2s1 ZINC000587656896 IH Annotated Anodyne Cn1cc(Br)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656961 IH Annotated Anodyne Cc1nn(C)cc1-c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)no1 ZINC000587657012 IH Annotated Anodyne Nc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1-c1ccccc1 ZINC000587657020 IH Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1Cc1ccco1 ZINC000587657022 IH Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1Cc1ccco1 ZINC000587657023 IH Annotated Anodyne C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657043 IH Annotated Anodyne C[C@@H]1CN(C[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 ZINC000587657044 IH Annotated Anodyne C[C@H]1CN(C[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 ZINC000587657045 IH Annotated Anodyne C[C@H]1CN(C[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 ZINC000587657046 IH Annotated Anodyne CC(C)(C)n1ncc2c(O)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc21 ZINC000587657066 IH Annotated Anodyne Cc1nn(C)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1Br ZINC000587657189 IH Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Br ZINC000587657194 IH Annotated Anodyne Cc1c(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cnn1C ZINC000587657288 IH Annotated Anodyne Cc1cccc(-n2cnc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)n1 ZINC000587657303 IH Annotated Anodyne O=C(c1nnc(O)c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657322 IH Annotated Anodyne CC(C)(C)OC(=O)N1CC(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587657395 IH Annotated Anodyne Cc1cc(C)n(-c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nn2)n1 ZINC000587657504 IH Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c(C)nn(C)c2n1 ZINC000587657531 IH Annotated Anodyne O=C(C1CCN(c2ncccn2)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657570 IH Annotated Anodyne NNC(=O)c1ccc2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 ZINC000587657580 IH Annotated Reactive O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nn2cnnc2c2ccccc12 ZINC000587657629 IH Annotated Anodyne O=C(c1cc(-c2ccncc2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657634 IH Annotated Anodyne Cc1c(Br)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1C ZINC000587657738 IH Annotated Anodyne O=C(COc1ccc(F)cc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657860 IH Annotated Bother Nc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1-c1ccc(F)cc1 ZINC000587657897 IH Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)NCc1ccccc1 ZINC000587657902 IH Annotated Anodyne O=C1Nc2ccccc2O[C@H]1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657908 IH Annotated Anodyne O=C1Nc2ccccc2O[C@@H]1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657910 IH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCCN1CCCCC1 ZINC000587658064 IH Annotated Anodyne CC1=C(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)N2C=C(Cl)C=C[C@H]2N1 ZINC000587658299 IH Annotated Anodyne CC1=C(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)N2C=C(Cl)C=C[C@@H]2N1 ZINC000587658300 IH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587658322 IH Annotated Anodyne COC(=O)c1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1C(F)(F)F ZINC000587658341 IH Annotated Anodyne O=C([C@H]1CCc2nnc(C3CC3)n2C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658922 IH Annotated Anodyne O=C([C@@H]1CCc2nnc(C3CC3)n2C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658923 IH Annotated Anodyne NNC(=O)CCCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658943 IH Annotated Reactive O=C(COc1ccc([N+](=O)[O-])cc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659169 IH Annotated Bother O=C(Cn1cc(C(F)(F)F)ccc1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659267 IH Annotated Anodyne COC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659761 IH Annotated Anodyne O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659982 IH Annotated Bother Cc1nn(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587660125 IH Annotated Bother Cc1nn(C[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587660128 IH Annotated Bother O=C(c1nn(-c2ccccc2)cc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660145 IH Annotated Anodyne Nc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1-c1ccccc1 ZINC000587660150 IH Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587660260 IH Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1c1ccccc1 ZINC000587660270 IH Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1c1ccccc1 ZINC000587660271 IH Annotated Anodyne NC(=O)c1nc(-c2ccccc2)oc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660541 IH Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)nn(C)c2n1 ZINC000587660622 IH Annotated Anodyne COc1cc(OC)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC ZINC000587660637 IH Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1Cc1ccccc1 ZINC000587660642 IH Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1Cc1ccccc1 ZINC000587660644 IH Annotated Anodyne O=C(CSC(=S)N1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660867 IH Annotated Anodyne Nc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1Cc1ccccc1 ZINC000587660950 IH Annotated Anodyne CC(C)(C)n1ncc2c(O)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc21 ZINC000587660959 IH Annotated Anodyne O=C1Nc2ccccc2O[C@H]1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661212 IH Annotated Anodyne O=C1Nc2ccccc2O[C@@H]1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661215 IH Annotated Anodyne COc1cc(C[C@](C)(C(=O)O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1O ZINC000587661247 IH Annotated Anodyne COc1cc(C[C@@](C)(C(=O)O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1O ZINC000587661249 IH Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587661420 IH Annotated Bother Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587661422 IH Annotated Bother Cc1c(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)no2)cnn1C ZINC000587661480 IH Annotated Anodyne Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661499 IH Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661501 IH Annotated Bother O=C([C@H]1CCCN(c2ncccn2)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661932 IH Annotated Anodyne O=C([C@@H]1CCCN(c2ncccn2)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661933 IH Annotated Anodyne Cc1cccc(-n2cnc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)n1 ZINC000587661967 IH Annotated Anodyne O=C(C1CCN(c2ncccn2)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661968 IH Annotated Anodyne Cc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587661970 IH Annotated Bother COCCc1noc(-c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2)n1 ZINC000587661983 IH Annotated Anodyne Cc1nn(C)cc1-c1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1 ZINC000587662019 IH Annotated Anodyne O=C(CNc1nc2ccccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662073 IH Annotated Anodyne O=C([C@H]1CCc2nnc(C3CC3)n2C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662265 IH Annotated Anodyne O=C([C@@H]1CCc2nnc(C3CC3)n2C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662268 IH Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc([N+](=O)[O-])cc1C ZINC000587662311 IH Annotated Bother CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc([N+](=O)[O-])cc1C ZINC000587662312 IH Annotated Bother NNc1nc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2s1 ZINC000587662778 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587664149 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587664163 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3oc(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664611 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664658 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)cc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664665 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664818 IH Annotated Anodyne CCc1cc(O)nc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)n1 ZINC000587664848 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664890 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc(Cl)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587664912 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(OC)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665050 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)OC)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665110 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(C(=O)O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665142 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(NN)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665152 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)c(C)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665177 IH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587665288 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(N)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665330 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665417 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665449 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc4c(nn3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665480 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)c(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665549 IH Annotated Clean CCN(CC)c1ccc(-c2nn(C(=O)[C@H](O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665585 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cnnc(O)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665664 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(Cl)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587665795 IH Annotated Anodyne CCc1c(C)nc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc1O ZINC000587665979 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccccc3C(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587665983 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)N=c3cc[nH]cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666014 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)O)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666020 IH Annotated Anodyne CCOc1cc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)ncn1 ZINC000587666047 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666061 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NN)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666070 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccncc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666097 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666302 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666387 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666391 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3c(C)n[nH]c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666427 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666503 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666529 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(C)n[nH]c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666530 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)n(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666562 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccncc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666812 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccnc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666842 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587666909 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(O)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587666919 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587666940 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587666960 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667002 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(CC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667027 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667075 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667138 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667158 IH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cn(CC)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667181 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(OC)ncc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667369 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667372 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnc(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667413 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667448 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccn4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667476 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CC3CCNCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667492 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667503 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667520 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667523 IH Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccc4nccn4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667536 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]c4c3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587667680 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667696 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667799 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667882 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667883 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667901 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667903 IH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667908 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccncc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667925 IH Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3CO)c(=O)c3ccccc23)c(O)c1 ZINC000587667993 IH Annotated Anodyne CCN(CC)CCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668037 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668047 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cc(C)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668087 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3n[nH]cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668137 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Cl)nc(N)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668365 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(CC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668387 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587668403 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(C)(C)n3cncn3)c(=O)c3ccccc23)cc1OCC ZINC000587668407 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3C(N)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668459 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(Cl)cc3N)c(=O)c3ccccc23)cc1OCC ZINC000587668493 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn(C)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668494 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(CC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668506 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)N=c3cc[nH]cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668526 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(NN)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668529 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(=O)O)ccn3)c(=O)c3ccccc23)cc1OCC ZINC000587668618 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587668667 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)OCCOC)c(=O)c3ccccc23)cc1OCC ZINC000587668676 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)OCCOC)c(=O)c3ccccc23)cc1OCC ZINC000587668680 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)on3)c(=O)c3ccccc23)cc1OCC ZINC000587668754 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CC3(C)OCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587668758 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(O)cc(CC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668926 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669014 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc(Cl)c3N)c(=O)c3ccccc23)cc1OCC ZINC000587669111 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(COC)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669134 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(COC)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669209 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3n[nH]c4c3CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587669278 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)c(C)c(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669414 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(N)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669549 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)n(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669638 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CC3CCNCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669664 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669715 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669716 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4nccn4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669725 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccccn4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669754 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3snnc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669972 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCC(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669977 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4[nH]cnc34)c(=O)c3ccccc23)cc1OCC ZINC000587670135 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cc(C)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670161 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCSC)c(=O)c3ccccc23)cc1OCC ZINC000587670207 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnn3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670243 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc(N(C)C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670275 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4nnc(C)n4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670290 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)cc(OC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670297 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnc(C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670300 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587670366 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnc(C)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587670392 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(OC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670444 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(OC)ccn3)c(=O)c3ccccc23)cc1OCC ZINC000587670507 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587670509 IH Annotated Bother CCOc1ccc(-c2nn(C(=O)Cn3cc(C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670868 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3ccc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670931 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)N3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670938 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)N3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670939 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670969 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670975 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670976 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587671146 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(C)n[nH]c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671157 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCSC)c(=O)c3ccccc23)c(O)c1 ZINC000587671239 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCCOC)c(=O)c3ccccc23)cc1OCC ZINC000587671301 IH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)N3CCSCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671449 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)N3CCSCC3)c(=O)c3ccccc23)cc1OCC ZINC000587671512 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587671643 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cncnc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671651 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H](C)COC)c(=O)c3ccccc23)cc1OCC ZINC000587672061 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@H](C)COC)c(=O)c3ccccc23)cc1OCC ZINC000587672066 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccnc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587672282 IH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(OC)ncc3F)c(=O)c3ccccc23)cc1OCC ZINC000587672337 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnc(C)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672386 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(O)ccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587672404 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)c(O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672536 IH Annotated Clean CCOc1ccc(-c2nn(C(=O)c3ccnc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672747 IH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccncc3N)c(=O)c3ccccc23)cc1OCC ZINC000587672749 IH Annotated Anodyne COC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673067 IH Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673068 IH Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673069 IH Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673070 IH Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673588 IH Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673590 IH Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673591 IH Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673592 IH Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674509 IH Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674510 IH Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674511 IH Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674512 IH Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674739 IH Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674740 IH Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674741 IH Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674742 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682189 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682194 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682195 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682197 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682656 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682674 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682676 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccccc2)N1 ZINC000587682679 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587682923 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587682947 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587682948 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587682951 IH Annotated Anodyne CCN1C=C(N)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(Br)=C1 ZINC000587684968 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587684970 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587684972 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587684974 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587684975 IH Annotated Anodyne CCN1C=C(N)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(Br)=C1 ZINC000587684989 IH Annotated Anodyne CCN1C=C(N)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(Br)=C1 ZINC000587684991 IH Annotated Anodyne CCN1C=C(N)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(Br)=C1 ZINC000587684993 IH Annotated Anodyne CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587685030 IH Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587685043 IH Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587685046 IH Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587685048 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587685079 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587685089 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587685092 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587685095 IH Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587686265 IH Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587686266 IH Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587686268 IH Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587686270 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587686871 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587686873 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587686875 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587686877 IH Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(N)=O ZINC000587687032 IH Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(N)=O ZINC000587687041 IH Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(N)=O ZINC000587687042 IH Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(N)=O ZINC000587687045 IH Annotated Reactive CCN1C=C(N)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(Br)=C1 ZINC000587687659 IH Annotated Anodyne CCN1C=C(N)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(Br)=C1 ZINC000587687660 IH Annotated Anodyne CCN1C=C(N)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(Br)=C1 ZINC000587687661 IH Annotated Anodyne CCN1C=C(N)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(Br)=C1 ZINC000587687662 IH Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(N)=O ZINC000587688329 IH Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(N)=O ZINC000587688330 IH Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(N)=O ZINC000587688331 IH Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(N)=O ZINC000587688332 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587692462 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587692467 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587692470 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587692473 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587692879 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587692881 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587692884 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587692886 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587695454 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587695456 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587695458 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)N1 ZINC000587695460 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587699250 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587699252 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587699254 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(N)=O)c(Cl)c2)N1 ZINC000587699256 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587701389 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587701399 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587701402 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587701405 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Cl)=CN(CC(=O)O)C=C2Cl ZINC000587701431 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Cl)=CN(CC(=O)O)C=C2Cl ZINC000587701439 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701809 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701815 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701820 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701826 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Cl)=CN(CC(=O)O)C=C2Cl ZINC000587702067 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Cl)=CN(CC(=O)O)C=C2Cl ZINC000587702071 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587703177 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587703179 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587703181 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587703183 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587703835 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587703838 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587703840 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccn(C)n2)N1 ZINC000587703842 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704232 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704233 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704234 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704235 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587704650 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587704658 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587704660 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587704662 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706067 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706068 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706073 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706078 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587706184 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587706186 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587706187 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587706188 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587706201 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587706203 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587706204 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587706206 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706266 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706267 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706268 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)C(=O)O)n2C)N1 ZINC000587706269 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706685 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706688 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706690 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706693 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587706823 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587706824 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587706825 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(C(F)(F)F)N1 ZINC000587706826 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707036 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707037 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707038 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707039 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587707356 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587707357 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587707358 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccn(C)n2)(C(F)(F)F)N1 ZINC000587707359 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707822 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707827 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707831 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707836 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587708131 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587708132 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587708134 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cnn(C)c2)N1 ZINC000587708136 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711137 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711138 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711139 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711140 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711212 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711214 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711216 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(C(O)O)N1 ZINC000587711218 IH Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587714536 IH Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587714559 IH Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587714561 IH Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587714565 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717073 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717081 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717086 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717090 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587718043 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587718047 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587718050 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587718053 IH Annotated Anodyne Cc1c(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587718623 IH Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587718642 IH Annotated Anodyne Cc1c(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587718646 IH Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587718649 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718817 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718820 IH Annotated Anodyne Cc1nn(C)cc1[C@]1(CC(=O)C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719019 IH Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC(=O)C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719020 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587720844 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587720846 IH Annotated Anodyne Cc1c([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587720848 IH Annotated Anodyne Cc1c([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587720849 IH Annotated Anodyne Cc1c(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587720891 IH Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587720892 IH Annotated Anodyne Cc1c(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587720893 IH Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587720894 IH Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587721397 IH Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587721398 IH Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587721399 IH Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587721400 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723176 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723177 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723178 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723179 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723288 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723289 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723290 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc3c(cc12)OC(F)(F)O3 ZINC000587723291 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723446 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723447 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723448 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723449 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587723566 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587723567 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587723568 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587723569 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724061 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724062 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724063 IH Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724064 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587724368 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587724369 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587724370 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587724371 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587725003 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587725005 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587725006 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587725007 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725422 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725423 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725424 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725425 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587725464 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587725465 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587725466 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587725467 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725892 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725893 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725894 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725895 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587726118 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587726119 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587726120 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NS(C)(=O)=O)c(F)c2)N1 ZINC000587726121 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726122 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726123 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726124 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726125 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726223 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726224 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726226 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 ZINC000587726228 IH Annotated Clean COC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726506 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726507 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726508 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726509 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587726773 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587726774 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587726775 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cncn2)(c2ccc(F)cc2F)N1 ZINC000587726776 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587726900 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587726901 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587726903 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587726904 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587727006 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587727007 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587727008 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587727009 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587727169 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587727171 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587727172 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587727173 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587727382 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587727383 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587727384 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587727385 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587727568 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587727569 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587727570 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)N1 ZINC000587727571 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587727613 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587727615 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587727619 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587727621 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587728546 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587728550 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587728554 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587728557 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587728629 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587728631 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587728802 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccc2F)N1 ZINC000587728805 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587730041 IH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587730081 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587730083 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587730085 IH Annotated Mild COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730264 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730266 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730269 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730272 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587730508 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587730510 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587730513 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587730514 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730679 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730683 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730684 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730686 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587731132 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587731152 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587731153 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587731154 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731457 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731458 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731459 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731460 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587731695 IH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587731697 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587731699 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)OC(C)(C)C)(C[C@H](O)CC#N)N1 ZINC000587731700 IH Annotated Mild COC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731798 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731799 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731800 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731801 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587732435 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587732437 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587732440 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3cccc(F)c3)N=C2C(=O)O)N1 ZINC000587732444 IH Annotated Anodyne COC(=O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc2O1 ZINC000587732477 IH Annotated Anodyne COC(=O)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc2O1 ZINC000587732485 IH Annotated Anodyne COC(=O)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc2O1 ZINC000587732488 IH Annotated Anodyne COC(=O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc2O1 ZINC000587732491 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587733414 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587733417 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587733420 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587733422 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733434 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733437 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733439 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733441 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733765 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733768 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733771 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733774 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587733786 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587733789 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587733793 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(F)cc12 ZINC000587733799 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587734221 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587734223 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587734224 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cccc(F)c2)N1 ZINC000587734227 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734284 IH Annotated Mild COC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734285 IH Annotated Mild COC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734286 IH Annotated Mild COC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734287 IH Annotated Mild COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735989 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735990 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735992 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735995 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736235 IH Annotated Mild COC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736236 IH Annotated Mild COC(=O)[C@@]1(CC(=O)c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736237 IH Annotated Mild COC(=O)[C@]1(CC(=O)c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736238 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587736452 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587736455 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587736457 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000587736458 IH Annotated Anodyne COC(=O)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc2O1 ZINC000587736545 IH Annotated Anodyne COC(=O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc2O1 ZINC000587736548 IH Annotated Anodyne COC(=O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc2O1 ZINC000587736552 IH Annotated Anodyne COC(=O)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc2O1 ZINC000587736556 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587737054 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587737057 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587737061 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587737064 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587737138 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587737141 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587737144 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1cc(F)ccc12 ZINC000587737148 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587737234 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587737236 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587737238 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)N1 ZINC000587737240 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587737776 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587737777 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587737778 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(F)cc2)N1 ZINC000587737779 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587738655 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587738657 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587738659 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587738660 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739257 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739259 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739260 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739262 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)N1 ZINC000587739271 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)N1 ZINC000587739275 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)N1 ZINC000587739276 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)N1 ZINC000587739278 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739387 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739392 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739393 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739394 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587739893 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587739894 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587739895 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587739896 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587740129 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587740131 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587740133 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587740135 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587740778 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587740779 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587740781 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587740783 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587740937 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587740938 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587740939 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3c(F)cccc32)N1 ZINC000587740940 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587741128 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587741129 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587741130 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccccc2NC=O)N1 ZINC000587741131 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587741736 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587741740 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587741743 IH Annotated Anodyne CNC(=O)COc1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587741745 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742333 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742335 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742336 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742338 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587742343 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587742351 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587742352 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587742353 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587742535 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587742536 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587742537 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587742538 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587742828 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587742829 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587742830 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)N(C)C)cc2)N1 ZINC000587742831 IH Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12)[N+](=O)[O-] ZINC000587742996 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12)[N+](=O)[O-] ZINC000587742997 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12)[N+](=O)[O-] ZINC000587742998 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12)[N+](=O)[O-] ZINC000587742999 IH Annotated Mild COc1ccc2oc(N)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587743205 IH Annotated Anodyne COc1ccc2oc(N)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587743206 IH Annotated Anodyne COc1ccc2oc(N)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587743207 IH Annotated Anodyne COc1ccc2oc(N)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587743208 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587743230 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587743232 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587743233 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(=O)NC3CC3)c2)N1 ZINC000587743236 IH Annotated Anodyne COc1ccc2oc(N)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587743627 IH Annotated Anodyne COc1ccc2oc(N)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587743629 IH Annotated Anodyne COc1ccc2oc(N)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587743631 IH Annotated Anodyne COc1ccc2oc(N)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587743635 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587744052 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587744115 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587744119 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587744122 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 ZINC000587744158 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 ZINC000587744206 IH Annotated Bother CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744530 IH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744531 IH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744532 IH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744533 IH Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12)[N+](=O)[O-] ZINC000587745007 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12)[N+](=O)[O-] ZINC000587745008 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12)[N+](=O)[O-] ZINC000587745009 IH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12)[N+](=O)[O-] ZINC000587745010 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587745015 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587745016 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587745017 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccco3)Cc3nc(N)ncc32)N1 ZINC000587745018 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587745046 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587745058 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587745059 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587745061 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)/C=C/C(=O)O)cc2)N1 ZINC000587745139 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)/C=C/C(=O)O)cc2)N1 ZINC000587745142 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)/C=C\C(=O)O)cc2)N1 ZINC000587745143 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)/C=C\C(=O)O)cc2)N1 ZINC000587745145 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745434 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745437 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745439 IH Annotated Anodyne C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745442 IH Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745443 IH Annotated Anodyne C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745454 IH Annotated Anodyne C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745464 IH Annotated Anodyne C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745469 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)/C=C\C(=O)O)cc2)N1 ZINC000587745650 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)/C=C\C(=O)O)cc2)N1 ZINC000587745652 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)/C=C/C(=O)O)cc2)N1 ZINC000587745654 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)/C=C/C(=O)O)cc2)N1 ZINC000587745657 IH Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587746268 IH Annotated Reactive Cc1cc2c(cc1C)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587746269 IH Annotated Reactive Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587746270 IH Annotated Reactive Cc1cc2c(cc1C)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587746271 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587746349 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587746350 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587746352 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 ZINC000587746353 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 ZINC000587746698 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 ZINC000587746699 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 ZINC000587748574 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 ZINC000587748575 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 ZINC000587748576 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 ZINC000587748577 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587748594 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587748595 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587748596 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587748597 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587748691 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587748692 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587748695 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 ZINC000587748696 IH Annotated Clean Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587748716 IH Annotated Reactive Cc1cc2c(cc1C)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587748719 IH Annotated Reactive Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587748721 IH Annotated Reactive Cc1cc2c(cc1C)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587748725 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587748890 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587748891 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587748892 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587748893 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587749617 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587749621 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587749622 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587749623 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587750541 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587750542 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587750544 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587750545 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750577 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750579 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750580 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750584 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587750587 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587750589 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587750590 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 ZINC000587750592 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587750815 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587750823 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587750825 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587750827 IH Annotated Clean C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750969 IH Annotated Anodyne C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750970 IH Annotated Anodyne C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750971 IH Annotated Anodyne C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750972 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587751299 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587751300 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587751301 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 ZINC000587751302 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751987 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751988 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751989 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751990 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587752207 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587752208 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587752209 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587752210 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587752645 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587752646 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587752647 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 ZINC000587752649 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587752929 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587752933 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587752935 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587752936 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753133 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753136 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753139 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753141 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753620 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753621 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753623 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587753625 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587753749 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587753751 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587753755 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 ZINC000587753758 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587754060 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587754063 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587754066 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 ZINC000587754072 IH Annotated Reactive CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754099 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754102 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754105 IH Annotated Bother CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754106 IH Annotated Bother CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754325 IH Annotated Clean CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754344 IH Annotated Clean CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754347 IH Annotated Clean CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754350 IH Annotated Clean CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754362 IH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754380 IH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754383 IH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754385 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754877 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754878 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754879 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754880 IH Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755645 IH Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755646 IH Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755647 IH Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755648 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755849 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755850 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755851 IH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755852 IH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755937 IH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755939 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587755940 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587755942 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587756149 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587756151 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587756154 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N(CC(=O)O)N=O)cc2)N1 ZINC000587756156 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756904 IH Annotated Clean CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756906 IH Annotated Clean CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756908 IH Annotated Clean CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756910 IH Annotated Clean CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756946 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756947 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756949 IH Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756950 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757201 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757203 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757205 IH Annotated Anodyne Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757207 IH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757213 IH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757217 IH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757218 IH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757219 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758168 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758169 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758170 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758171 IH Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O ZINC000587758335 IH Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O ZINC000587758345 IH Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O ZINC000587758347 IH Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O ZINC000587758351 IH Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O ZINC000587759264 IH Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O ZINC000587759266 IH Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O ZINC000587759267 IH Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O ZINC000587759269 IH Annotated Clean CCOC(=O)[C@]1(c2nc3ccccc3n2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759767 IH Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759768 IH Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759771 IH Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759774 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587759894 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587759895 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587759896 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587759897 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C=O)N1 ZINC000587760172 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C=O)N1 ZINC000587760173 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C=O)N1 ZINC000587760174 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C=O)N1 ZINC000587760175 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587760180 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587760181 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587760182 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587760183 IH Annotated Anodyne COC(=O)C1CN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 ZINC000587760198 IH Annotated Clean COC(=O)C1CN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 ZINC000587760199 IH Annotated Clean COC(=O)C1CN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 ZINC000587760200 IH Annotated Clean COC(=O)C1CN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 ZINC000587760201 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760471 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760472 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760473 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760474 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760526 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760527 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760528 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587760530 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)N1 ZINC000587761071 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)N1 ZINC000587761072 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C[C@@H]2C(=O)O)N1 ZINC000587761073 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C[C@@H]2C(=O)O)N1 ZINC000587761074 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761265 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761268 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761270 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761272 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587761296 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587761297 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587761298 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587761299 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761607 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761608 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761609 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761610 IH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587761770 IH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587761771 IH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587761772 IH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587761773 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587761853 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587761856 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587761858 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587761859 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762116 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762117 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762118 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762120 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762137 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762139 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762141 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)N1 ZINC000587762143 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762562 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762564 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762565 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587762567 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587762916 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587762917 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587762918 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587762919 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587763164 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587763165 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587763166 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3C(=O)C=CC3=O)c2)N1 ZINC000587763167 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C[C@@H]2C(=O)O)N1 ZINC000587763194 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C[C@@H]2C(=O)O)N1 ZINC000587763195 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)N1 ZINC000587763196 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)N1 ZINC000587763197 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C=O)N1 ZINC000587763198 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C=O)N1 ZINC000587763199 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C=O)N1 ZINC000587763200 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C=O)N1 ZINC000587763201 IH Annotated Mild C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763362 IH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763363 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587763364 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)N2C(=O)CCC2=O)N1 ZINC000587763365 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587763382 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587763383 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587763384 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)CCC2=O)(c2ccccc2)N1 ZINC000587763385 IH Annotated Anodyne COC(=O)C1CN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 ZINC000587763406 IH Annotated Clean COC(=O)C1CN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 ZINC000587763407 IH Annotated Clean COC(=O)C1CN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 ZINC000587763408 IH Annotated Clean COC(=O)C1CN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 ZINC000587763409 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587763450 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587763451 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587763453 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)N1 ZINC000587763455 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763664 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763665 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763666 IH Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763667 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)([C@@H]2CCCN(C)C2=O)N1 ZINC000587763996 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)([C@@H]2CCCN(C)C2=O)N1 ZINC000587763998 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)([C@H]2CCCN(C)C2=O)N1 ZINC000587764008 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)([C@H]2CCCN(C)C2=O)N1 ZINC000587764009 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587764314 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587764315 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587764316 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587764317 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587764437 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587764444 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587764447 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587764449 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587764613 IH Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587764615 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587764616 IH Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587764617 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587764641 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587764643 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587764647 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587764648 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587764649 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587764650 IH Annotated Clean CC(=O)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587764651 IH Annotated Clean CC(=O)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587764653 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587764705 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587764712 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587764878 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587764880 IH Annotated Clean C=CN1CC[C@H]([C@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587765494 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587765495 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587765496 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587765497 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587765612 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587765613 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587765614 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587765615 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587765652 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587765653 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587765654 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587765655 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587765664 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587765665 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587765666 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587765667 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587765952 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587765953 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587765954 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587765955 IH Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766109 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766110 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766111 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587766112 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766132 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766133 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766134 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766135 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587766299 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587766301 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587766304 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587766306 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766672 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766676 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766679 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C(=O)c3ccccc3N(C)C2=O)N1 ZINC000587766683 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587767079 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587767082 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587767084 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 ZINC000587767087 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587767107 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587767109 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587767111 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587767113 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587767115 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587767116 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587767117 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCCC(=O)O)c1ccccc12 ZINC000587767118 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587767161 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587767162 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587767163 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587767165 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587767166 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587767167 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587767168 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587767169 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587767527 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587767528 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587767529 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587767530 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587767555 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587767556 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587767557 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)N3CCOCC3)cc2)N1 ZINC000587767558 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767792 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767793 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767794 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767795 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587767807 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587767810 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587767811 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587767812 IH Annotated Anodyne CCOCCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768002 IH Annotated Anodyne CCOCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768012 IH Annotated Anodyne CCOCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768023 IH Annotated Anodyne CCOCCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768031 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587768061 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587768063 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587768064 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(-c3ccccc3)c2)N1 ZINC000587768066 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768131 IH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768133 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768135 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768137 IH Annotated Mild C=CN1CC[C@H]([C@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768150 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768151 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768152 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768153 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768218 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768219 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768220 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768221 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768264 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768266 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768268 IH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768270 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587768279 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587768281 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587768283 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCCCCC3)OCC2=O)N1 ZINC000587768286 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)([C@@H](O)c2ccccn2)N1 ZINC000587768423 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)([C@H](O)c2ccccn2)N1 ZINC000587768425 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)([C@H](O)c2ccccn2)N1 ZINC000587768428 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587768430 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)([C@@H](O)c2ccccn2)N1 ZINC000587768431 IH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587768432 IH Annotated Clean CC(=O)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587768435 IH Annotated Clean CC(=O)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587768439 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768733 IH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768736 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768738 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCCCCC3)=CC2=O)N1 ZINC000587768739 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587768757 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587768760 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587768762 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 ZINC000587768764 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)N(C[C@H]3CCCCO3)CC2)N1 ZINC000587768852 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)N(C[C@@H]3CCCCO3)CC2)N1 ZINC000587768853 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)N(C[C@H]3CCCCO3)CC2)N1 ZINC000587768855 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)N(C[C@@H]3CCCCO3)CC2)N1 ZINC000587768856 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)([C@@H]2CCCN(C)C2=O)N1 ZINC000587769190 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)([C@@H]2CCCN(C)C2=O)N1 ZINC000587769192 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)([C@H]2CCCN(C)C2=O)N1 ZINC000587769194 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)([C@H]2CCCN(C)C2=O)N1 ZINC000587769196 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587769225 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587769227 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587769229 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 ZINC000587769231 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769247 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769248 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769249 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587769250 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587769574 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587769575 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587769576 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C=C(C(=O)O)NN2c2ccccc2)N1 ZINC000587769577 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769752 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769753 IH Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769754 IH Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769755 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587770140 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587770142 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587770144 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587770145 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587770179 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587770180 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587770181 IH Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587770182 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770367 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770369 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770372 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587770374 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587770717 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587770720 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587770722 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587770739 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587770740 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587770741 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587770742 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587770990 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587771047 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587771049 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587771051 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587771053 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587771178 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587771180 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587771184 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C(=O)C2)N1 ZINC000587771188 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587771354 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587771362 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587771365 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587771368 IH Annotated Clean CCN1N=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587771408 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587771409 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587771410 IH Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587771411 IH Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587771474 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587771479 IH Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587771484 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587771488 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587771492 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587771493 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587771494 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587771495 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771540 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771549 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771554 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771559 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587771868 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587771869 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587771871 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCOCC3)ccc2N)N1 ZINC000587771872 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771914 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771915 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771919 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587771920 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771922 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587771923 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587771925 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587771926 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771928 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771930 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771931 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771933 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587771964 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587771967 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587771970 IH Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587771972 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587772166 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587772167 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587772168 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCC(O)CC3)ccc2N)N1 ZINC000587772170 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)N(C[C@H]3CCCCO3)CC2)N1 ZINC000587772322 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)N(C[C@@H]3CCCCO3)CC2)N1 ZINC000587772323 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)N(C[C@H]3CCCCO3)CC2)N1 ZINC000587772324 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)N(C[C@@H]3CCCCO3)CC2)N1 ZINC000587772325 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587772348 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587772350 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587772352 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 ZINC000587772354 IH Annotated Clean CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772378 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772382 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772385 IH Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772388 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587772608 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587772611 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587772613 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587772617 IH Annotated Clean CCOCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772649 IH Annotated Anodyne CCOCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772650 IH Annotated Anodyne CCOCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772651 IH Annotated Anodyne CCOCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772652 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772665 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772666 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772667 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772668 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587772757 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587772758 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587772759 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(CCC(=O)O)c3ccccc32)N1 ZINC000587772760 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587773049 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587773053 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587773056 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587773059 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)([C@@H](O)c2ccccn2)N1 ZINC000587773344 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)([C@H](O)c2ccccn2)N1 ZINC000587773346 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)([C@H](O)c2ccccn2)N1 ZINC000587773347 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)([C@@H](O)c2ccccn2)N1 ZINC000587773348 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773504 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773505 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773506 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773507 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773575 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773577 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773579 IH Annotated Anodyne CCN1C(=O)[C@H](C(C)=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773582 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(N3CCOCC3)cc2)N1 ZINC000587773767 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773768 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(N3CCOCC3)cc2)N1 ZINC000587773769 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773770 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(N3CCOCC3)cc2)N1 ZINC000587773771 IH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773772 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(N3CCOCC3)cc2)N1 ZINC000587773773 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773774 IH Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773804 IH Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773805 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773806 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773807 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587774020 IH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587774022 IH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587774024 IH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587774026 IH Annotated Mild CCOC(=O)[C@]1(CC(=O)c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774216 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774217 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774218 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774219 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCN3CCOCC3)c2)N1 ZINC000587774418 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCN3CCOCC3)c2)N1 ZINC000587774419 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCN3CCOCC3)c2)N1 ZINC000587774420 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCN3CCOCC3)c2)N1 ZINC000587774421 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587774448 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587774449 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587774450 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N1 ZINC000587774451 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587774908 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775109 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775110 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775111 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587775160 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587775161 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775162 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775163 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587775164 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775165 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775166 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775167 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2CO1 ZINC000587775169 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775172 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775175 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587775178 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587775193 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587775195 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587775197 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587775199 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775253 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775254 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775255 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCOCC2)N1 ZINC000587775256 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775281 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775282 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775283 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775284 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775333 IH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775334 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775335 IH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775336 IH Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775408 IH Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775415 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775857 IH Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775860 IH Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775863 IH Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775864 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775878 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775880 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775897 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775899 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775927 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775935 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775938 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775940 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587776170 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587776171 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587776172 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587776173 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587776307 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587776308 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587776309 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587776310 IH Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776311 IH Annotated Anodyne CC(C)N1CC2CN(C(C)C)CC(C1)C21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776534 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587776657 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587776658 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587776659 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587776660 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc3nc(O)n(c13)CC[C@H]2N=O ZINC000587776799 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc3nc(O)n(c13)CC[C@@H]2N=O ZINC000587776802 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc3nc(O)n(c13)CC[C@H]2N=O ZINC000587776803 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc3nc(O)n(c13)CC[C@@H]2N=O ZINC000587776804 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587776933 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587776935 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587776937 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCOCC3)nc3ccccn23)N1 ZINC000587776939 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587777012 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587777013 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587777014 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 ZINC000587777015 IH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587777056 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587777057 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587777059 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cccnc2=O)(c2ccccc2)N1 ZINC000587777061 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587777124 IH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587777125 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587777127 IH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 ZINC000587777128 IH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587777129 IH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587777131 IH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587777152 IH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(C#N)c2)N1 ZINC000587777155 IH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777212 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777214 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777217 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777218 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777463 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777464 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777465 IH Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777466 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777977 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777978 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777979 IH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587777980 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778252 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778253 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778254 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778257 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778265 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778267 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778269 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778270 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778355 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778356 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778357 IH Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778358 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778609 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778610 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778611 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)N1 ZINC000587778612 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc3nc(O)n(c13)CC[C@@H]2N=O ZINC000587778953 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc3nc(O)n(c13)CC[C@H]2N=O ZINC000587778954 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc3nc(O)n(c13)CC[C@@H]2N=O ZINC000587778955 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc3nc(O)n(c13)CC[C@H]2N=O ZINC000587778956 IH Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587779252 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587779493 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587779494 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587779495 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)N1 ZINC000587779496 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587779509 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587779510 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587779511 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587779512 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587779771 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587779772 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587779773 IH Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587779774 IH Annotated Anodyne O=C(Cc1nc2c(I)cnc(Cl)c2[nH]1)OCc1ccccc1 ZINC000587781054 IH Annotated Anodyne O=C(Cc1nc2c(Br)cnc(Br)c2[nH]1)OCc1ccccc1 ZINC000587781780 IH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587783577 IH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587783597 IH Annotated Anodyne COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(OC)c1O ZINC000587784755 IH Annotated Anodyne COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(OC)c1O ZINC000587785057 IH Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2c1 ZINC000587785693 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C=O)ccc4OC)[nH]c3c2)cc1 ZINC000587786253 IH Annotated Anodyne COc1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc(O)c1O ZINC000587786409 IH Annotated Clean COc1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc(O)c1O ZINC000587786416 IH Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C=O)ccc3OC)[nH]c2c1 ZINC000587786707 IH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccnc(O)c2[nH]1 ZINC000587786991 IH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Cl)ncc(I)c3[nH]2)c1OC ZINC000587787149 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2c1 ZINC000587787177 IH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Br)ncc(Br)c3[nH]2)c1OC ZINC000587787290 IH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587787712 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2c1 ZINC000587788166 IH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(N)ccnc2[nH]1 ZINC000587788307 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587789019 IH Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587789020 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587789022 IH Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587789024 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789067 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789068 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789069 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789070 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2OCC(=O)O)N1 ZINC000587789514 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2OCC(=O)O)N1 ZINC000587789517 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2OCC(=O)O)N1 ZINC000587789518 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2OCC(=O)O)N1 ZINC000587789519 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587789576 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587789577 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587789580 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587789583 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789605 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789609 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789611 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2[nH]cnc2C(=O)O)N1 ZINC000587789620 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587789704 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587789708 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587789711 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587789715 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587790500 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587790512 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587790516 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587790521 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587790965 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587790966 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587790967 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587790968 IH Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791215 IH Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791216 IH Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791217 IH Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791218 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792391 IH Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792392 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792393 IH Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792394 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587792682 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587792687 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587792688 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587792689 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792933 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792935 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792938 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792940 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587793200 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587793202 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587793204 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccccc3)N=C3N=CNN3C2)N1 ZINC000587793206 IH Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793255 IH Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793256 IH Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793257 IH Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793258 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587794732 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587794743 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587794746 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587794748 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587796017 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587796019 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587796021 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1CCc3cccc2c31 ZINC000587796024 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587796033 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587796035 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587796036 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587796037 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796378 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796379 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796380 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796381 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587796568 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587796569 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587796570 IH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587796571 IH Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N(C)C)nc12 ZINC000587796794 IH Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N(C)C)nc12 ZINC000587796795 IH Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N(C)C)nc12 ZINC000587796796 IH Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N(C)C)nc12 ZINC000587796797 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797057 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797059 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797061 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797064 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797574 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797576 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797578 IH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797580 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797597 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797604 IH Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797605 IH Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797606 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587797687 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587797689 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587797691 IH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587797693 IH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798494 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798496 IH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798498 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798500 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798558 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798566 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798568 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798569 IH Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N(C)C)nc12 ZINC000587798743 IH Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N(C)C)nc12 ZINC000587798746 IH Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N(C)C)nc12 ZINC000587798749 IH Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N(C)C)nc12 ZINC000587798751 IH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798823 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798825 IH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798826 IH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798828 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798926 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798927 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798928 IH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798929 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587799516 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587799519 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587799522 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1nc3nonc3nc12 ZINC000587799525 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799568 IH Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799569 IH Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799570 IH Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799571 IH Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800635 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800636 IH Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800637 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800638 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587800730 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587800732 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587800734 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCCO)cc2)(C(C)(C)O)N1 ZINC000587800736 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800776 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800777 IH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800778 IH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800779 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587801931 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587801932 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587801933 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587801934 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802499 IH Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802500 IH Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802501 IH Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802502 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587803480 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587803483 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587803484 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc3nc(O)[nH]c3c2)N1 ZINC000587803487 IH Annotated Anodyne CC(C)CC(=O)OCC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804727 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804729 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804730 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804732 IH Annotated Mild COc1ccc2c([C@@]3(C(O)O)N[C@@H](C)Cc4cc(Br)c(F)cc43)cccc2c1 ZINC000587804834 IH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)N[C@H](C)Cc4cc(Br)c(F)cc43)cccc2c1 ZINC000587804835 IH Annotated Anodyne COc1ccc2c([C@@]3(C(O)O)N[C@H](C)Cc4cc(Br)c(F)cc43)cccc2c1 ZINC000587804836 IH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)N[C@@H](C)Cc4cc(Br)c(F)cc43)cccc2c1 ZINC000587804837 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805532 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805533 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805534 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805535 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805537 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805539 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805541 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805543 IH Annotated Anodyne CC(C)CC(=O)OCC1=CC(=O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805635 IH Annotated Mild CC(C)CC(=O)OCC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805637 IH Annotated Mild CC(C)CC(=O)OCC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805639 IH Annotated Mild CC(C)CC(=O)OCC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805641 IH Annotated Mild COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806550 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806552 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806554 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806556 IH Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806778 IH Annotated Clean COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806780 IH Annotated Clean COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806781 IH Annotated Clean COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806782 IH Annotated Clean COc1cc(CC(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807381 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807387 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807389 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807392 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807577 IH Annotated Clean COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807609 IH Annotated Clean COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807611 IH Annotated Clean COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807613 IH Annotated Clean COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587807994 IH Annotated Clean COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587807995 IH Annotated Clean COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587807997 IH Annotated Clean COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587807999 IH Annotated Clean COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808130 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808131 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808132 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808134 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809159 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809160 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809161 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809162 IH Annotated Anodyne CC(C)CC(=O)OCC1=CC(=O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809359 IH Annotated Mild CC(C)CC(=O)OCC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809361 IH Annotated Mild CC(C)CC(=O)OCC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809363 IH Annotated Mild CC(C)CC(=O)OCC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809365 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809368 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809369 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809372 IH Annotated Mild CC(C)CC(=O)OCC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809375 IH Annotated Mild COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587809473 IH Annotated Clean COc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587809477 IH Annotated Clean COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587809481 IH Annotated Clean COc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587809484 IH Annotated Clean COc1cc(CC(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587810388 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587810390 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587810391 IH Annotated Anodyne COc1cc(CC(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587810393 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810745 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810747 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810748 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810750 IH Annotated Anodyne COc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811658 IH Annotated Clean COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811660 IH Annotated Clean COc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811662 IH Annotated Clean COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811664 IH Annotated Clean COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811876 IH Annotated Clean COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811879 IH Annotated Clean COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811880 IH Annotated Clean COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811882 IH Annotated Clean COc1ccc2c([C@@]3(C(O)O)N[C@@H](C)Cc4ccc(F)c(Br)c43)cccc2c1 ZINC000587812526 IH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)N[C@H](C)Cc4ccc(F)c(Br)c43)cccc2c1 ZINC000587812527 IH Annotated Anodyne COc1ccc2c([C@@]3(C(O)O)N[C@H](C)Cc4ccc(F)c(Br)c43)cccc2c1 ZINC000587812528 IH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)N[C@@H](C)Cc4ccc(F)c(Br)c43)cccc2c1 ZINC000587812529 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587830192 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587830200 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587830203 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587830205 IH Annotated Anodyne COCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587831891 IH Annotated Anodyne COCCOc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587831901 IH Annotated Anodyne COCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587831905 IH Annotated Anodyne COCCOc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCO2 ZINC000587831909 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833027 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833028 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833029 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833030 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833951 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833952 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833953 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833954 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834199 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834200 IH Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834201 IH Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834202 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587834836 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587834837 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587834838 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 ZINC000587834841 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836635 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836636 IH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836637 IH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836638 IH Annotated Anodyne COCCOc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587836647 IH Annotated Anodyne COCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587836648 IH Annotated Anodyne COCCOc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587836649 IH Annotated Anodyne COCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCO2 ZINC000587836650 IH Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587838813 IH Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587838814 IH Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587838815 IH Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587838816 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587838953 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587838954 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587838955 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587838956 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587839028 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587839030 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587839031 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587839032 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587839327 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587839334 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587839335 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587839336 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839747 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839750 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839751 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839753 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839916 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839917 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839918 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839920 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840146 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840147 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840148 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840149 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840174 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840175 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840176 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840177 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840391 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840393 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840394 IH Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840396 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587840710 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587840711 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587840713 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587840714 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587840886 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587840887 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587840888 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2N(S(C)(=O)=O)CC3)N1 ZINC000587840889 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587841202 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587841203 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587841204 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587841205 IH Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587841297 IH Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587841299 IH Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587841302 IH Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587841304 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587841582 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587841583 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587841584 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587841585 IH Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841739 IH Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841744 IH Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841746 IH Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841748 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842012 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842013 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842211 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842213 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587842229 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587842230 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587842231 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587842233 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842279 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842280 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842282 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842284 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842632 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842633 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842634 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587842635 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842676 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842677 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842678 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(S(N)(=O)=O)c2)N1 ZINC000587842679 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)SCC(=O)O)N1 ZINC000587842790 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](O)SCC(=O)O)N1 ZINC000587842800 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](O)SCC(=O)O)N1 ZINC000587842801 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](O)SCC(=O)O)N1 ZINC000587842802 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844462 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844463 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844464 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844465 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845220 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845224 IH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845226 IH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845227 IH Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845340 IH Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845343 IH Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845346 IH Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845350 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845371 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845374 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845376 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845379 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587845533 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587845538 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587845541 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587845546 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587845695 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587845700 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587845701 IH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587845703 IH Annotated Reactive COCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846417 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846420 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846421 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846422 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587846778 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587846779 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587846780 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc(O)cc(O)n2)(C2CC2)N1 ZINC000587846781 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847724 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847725 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847726 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847727 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1S(C)(=O)=O ZINC000587847757 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1S(C)(=O)=O ZINC000587847758 IH Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1S(C)(=O)=O ZINC000587847760 IH Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1S(C)(=O)=O ZINC000587847763 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587848378 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587848380 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587848382 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587848385 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)SCC(=O)O)N1 ZINC000587848766 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](O)SCC(=O)O)N1 ZINC000587848767 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](O)SCC(=O)O)N1 ZINC000587848768 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](O)SCC(=O)O)N1 ZINC000587848769 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848891 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848892 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848893 IH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848894 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587848986 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587848987 IH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587848988 IH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2cccs2)N1 ZINC000587848989 IH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587849198 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587849199 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587849200 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 ZINC000587849201 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587849738 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587849739 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587849740 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CS(C)(=O)=O)cc2)N1 ZINC000587849741 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850350 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850369 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850371 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850373 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850432 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850434 IH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850436 IH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850438 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1S(C)(=O)=O ZINC000587850588 IH Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1S(C)(=O)=O ZINC000587850589 IH Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1S(C)(=O)=O ZINC000587850590 IH Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1S(C)(=O)=O ZINC000587850591 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850683 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850684 IH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850686 IH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850688 IH Annotated Bother COCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851600 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851603 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851606 IH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851608 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851894 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851896 IH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851898 IH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851899 IH Annotated Bother CNc1nc(N)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852094 IH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852095 IH Annotated Anodyne CNc1nc(N)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852096 IH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852097 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587852768 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587852769 IH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587852770 IH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587852771 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854293 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854296 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854297 IH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854299 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587854661 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587854663 IH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587854664 IH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(N)s2)(C2CC2)N1 ZINC000587854665 IH Annotated Anodyne CNc1nc(N)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854893 IH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854896 IH Annotated Anodyne CNc1nc(N)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854899 IH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854901 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000587857977 IH Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)NC2=N1 ZINC000587858849 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000587859239 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000587859249 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000587859497 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(N)nc(-c2ccccn2)n1 ZINC000587859738 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000587860134 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc([N+](=O)[O-])c(OC)n1 ZINC000587860353 IH Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2cccn2)n1 ZINC000587860453 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000587860503 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587860697 IH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(Br)cn1 ZINC000587860733 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(Br)cnn1C ZINC000587860821 IH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cc(O)nc(S)n1 ZINC000587861398 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)cc1Br ZINC000587861736 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cn(C)nc2C)on1 ZINC000587862941 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587863009 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000587863030 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587863081 IH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587863083 IH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2nc(C)cc2C)n1 ZINC000587863151 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587863176 IH Annotated Anodyne COc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] ZINC000587863180 IH Annotated Bother COc1nn([C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] ZINC000587863181 IH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587863185 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cnn(C)c2C)on1 ZINC000587863213 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCCNC(=O)OC(C)(C)C ZINC000587863385 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000587863428 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587863429 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000587863430 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587863431 IH Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c2ccccc2c1=O ZINC000587863473 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000587863634 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000587863635 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000587863898 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(F)c(N2CCOCC2)n1 ZINC000587864025 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnn(CCOC)c(=O)c1Cl ZINC000587864084 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1C(=O)COc2ccccc21 ZINC000587864363 IH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000587864381 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000587864482 IH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc(C(=O)NN)cc2s1 ZINC000587864945 IH Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(N)nc(-c2ccccn2)n1 ZINC000587865922 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2cccn2)n1 ZINC000587865971 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000587866223 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]c(C)c(C(=O)NC)c1C ZINC000587866227 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(-n2cnnn2)c1 ZINC000587866252 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(Br)c(C)n1 ZINC000587866424 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000587866480 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NN/C(=C/c2ccccc2)C(=O)N1 ZINC000587866503 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NN/C(=C\c2ccccc2)C(=O)N1 ZINC000587866504 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(Br)cn2ccnc12 ZINC000587866610 IH Annotated Anodyne CCn1cc(Br)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587866626 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncc(Br)c1 ZINC000587866959 IH Annotated Anodyne COc1ncc(Br)nc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587866971 IH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587866979 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(Br)c1 ZINC000587866986 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ncc(Br)c1C ZINC000587867001 IH Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)NC2=N1 ZINC000587867032 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-n2cncn2)cc1Cl ZINC000587867058 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc(Br)cn1 ZINC000587867063 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc(Br)cn1 ZINC000587867067 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ncccc1Br ZINC000587867118 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)cn1C ZINC000587867232 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCNC(=O)OC(C)(C)C ZINC000587867481 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCCCCC(=O)NN ZINC000587867543 IH Annotated Reactive CCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867551 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncn1-c1ccc(F)cc1 ZINC000587867603 IH Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc(OC)c1OC ZINC000587867673 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587867848 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587867850 IH Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)no2)c(C)n1 ZINC000587867886 IH Annotated Anodyne CCn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867999 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnn(C(C)(C)C)c(=O)c1Cl ZINC000587868007 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000587868034 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000587868082 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(-c2ccccc2)cc1O ZINC000587868083 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)cc(C(=O)N(C)C)cc1F ZINC000587868096 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000587868100 IH Annotated Anodyne COCCc1noc(-c2ccc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc2)n1 ZINC000587868146 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccccc2)n1 ZINC000587868198 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)/C(=C\c1ccccc1)NC(C)=O ZINC000587868208 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)/C(=C/c1ccccc1)NC(C)=O ZINC000587868210 IH Annotated Anodyne COc1cc(OC)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC ZINC000587868273 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000587868282 IH Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1C(F)(F)F ZINC000587868323 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn(-c2cccc(C)n2)cn1 ZINC000587868410 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000587868439 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1oc(-c2ccccc2)nc1C(N)=O ZINC000587868490 IH Annotated Anodyne COc1cccc(-c2cnnc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c1 ZINC000587868501 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587868506 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000587868661 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587868674 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587868677 IH Annotated Bother CCn1cc(-c2ccnc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c(C)n1 ZINC000587868698 IH Annotated Anodyne COc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] ZINC000587868703 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587868756 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587868757 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1=C(C)N[C@@H]2C=CC(Cl)=CN12 ZINC000587868784 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1=C(C)N[C@H]2C=CC(Cl)=CN12 ZINC000587868785 IH Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc([N+](=O)[O-])cc1C ZINC000587868923 IH Annotated Bother CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc([N+](=O)[O-])cc1C ZINC000587868925 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587868965 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587868966 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000587868987 IH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)(F)F)cc1C ZINC000587869052 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(O)c2cnn(C(C)(C)C)c2n1 ZINC000587869323 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSC(=S)N1CCCC1 ZINC000587869482 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)O)cc1Cl ZINC000587869492 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000587869824 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000587869825 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587869833 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587869836 IH Annotated Anodyne CCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc(=O)c2c(C)cc(C)nc21 ZINC000587869885 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000587869888 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1nc2ccccc2s1 ZINC000587870011 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587870016 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587870017 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000587870026 IH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000587870027 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 ZINC000587870872 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(I)c[nH]1 ZINC000587870924 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(I)n1 ZINC000587871076 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587871215 IH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587871406 IH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587871409 IH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000587871457 IH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000587871633 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587871738 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccccn2)cn1 ZINC000587871928 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000587872003 IH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000587872067 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587872253 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000587872385 IH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000587872508 IH Annotated Bother O=C(c1[nH]nc(Br)c1Br)n1nc2cc1oc1ccc(F)cc21 ZINC000587872546 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587872661 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587873023 IH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC000587873129 IH Annotated Anodyne O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874315 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)cc1 ZINC000587874722 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)cc1 ZINC000587874724 IH Annotated Anodyne COC(=O)c1cccc([N+](=O)[O-])c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874992 IH Annotated Mild CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587875162 IH Annotated Bother CCOC(=O)c1nn(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c(OCC)c1C#N ZINC000587875442 IH Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(OCC)c1C#N ZINC000587875446 IH Annotated Mild COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000587875479 IH Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OCC)c1C#N ZINC000587875530 IH Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OCC)c1C#N ZINC000587875532 IH Annotated Mild CCOC(=O)c1nn(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)c(OCC)c1C#N ZINC000587875610 IH Annotated Mild CCN(CC)S(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000587875718 IH Annotated Bother CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1cc(C)n(C)n1 ZINC000587876207 IH Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)cc(O)c(Br)c1O ZINC000587876537 IH Annotated Mild O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876657 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876695 IH Annotated Anodyne C=CCc1c(C(=O)OC)ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587876736 IH Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N ZINC000587876829 IH Annotated Mild COc1ccc2c(c1)OC(=O)/C(=C\C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N2 ZINC000587876961 IH Annotated Mild COc1ccc2c(c1)OC(=O)/C(=C/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N2 ZINC000587876968 IH Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(C(=O)n3nc4cc3oc3ccc(F)cc43)CC2)cc1 ZINC000587876970 IH Annotated Anodyne COc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000587877066 IH Annotated Mild C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)nc2)C1 ZINC000587877079 IH Annotated Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)nc2)C1 ZINC000587877080 IH Annotated Anodyne C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)nc2)C1 ZINC000587877081 IH Annotated Anodyne COc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1O ZINC000587877206 IH Annotated Mild COc1cc(/C=C\C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877261 IH Annotated Mild COc1cc(/C=C/C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877262 IH Annotated Mild CCNc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C#N)cc1[N+](=O)[O-] ZINC000587877264 IH Annotated Mild CCOc1cc([C@@H](N)N=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877273 IH Annotated Mild CCOc1cc([C@H](N)N=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877274 IH Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587877286 IH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1C=O ZINC000587877297 IH Annotated Mild C=CCOc1cc(OC)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CO ZINC000587877307 IH Annotated Mild COC(=O)c1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587877308 IH Annotated Mild Nc1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877354 IH Annotated Mild CCNc1c(N)cc(C(=O)OCC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877368 IH Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1OC ZINC000587877373 IH Annotated Mild COC(=O)c1cc(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877390 IH Annotated Mild O=Cc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877395 IH Annotated Mild COc1ccc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877413 IH Annotated Mild COc1cc(/C=C/C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877419 IH Annotated Mild COc1cc(/C=C\C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877420 IH Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO ZINC000587877463 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c(OC)c1 ZINC000587877464 IH Annotated Mild NNc1c(Br)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877485 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1Cl ZINC000587877488 IH Annotated Mild CC(C)Oc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877551 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c([N+](=O)[O-])cc1Cl ZINC000587877577 IH Annotated Mild COCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1N ZINC000587877592 IH Annotated Mild CCOC(=O)c1cc(N)c(NC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877700 IH Annotated Mild CCOc1cc(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877784 IH Annotated Mild COc1cc(OC)c(CCCO)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877788 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1OC ZINC000587877877 IH Annotated Mild N#Cc1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877936 IH Annotated Mild O=Cc1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877978 IH Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000587877982 IH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587878018 IH Annotated Mild COC(=O)c1cc(Cl)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878022 IH Annotated Mild COc1cc(C#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(C)=O ZINC000587878027 IH Annotated Mild CCOc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(C)=O ZINC000587878075 IH Annotated Mild COC(=O)c1cc(OC)c(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878135 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(C(=O)O)cc1Cl ZINC000587878154 IH Annotated Mild CCCOc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878257 IH Annotated Mild COc1cc(OC)c(/C=C/C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878264 IH Annotated Mild COc1cc(OC)c(/C=C\C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878265 IH Annotated Mild Nc1cc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878340 IH Annotated Mild COC(=O)c1cc(N)c(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878362 IH Annotated Mild CCOC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878558 IH Annotated Mild COC(OC)c1ccc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878709 IH Annotated Mild N#Cc1ccc(N[C@H]2CCOC2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878727 IH Annotated Mild N#Cc1ccc(N[C@@H]2CCOC2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878728 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1C(=O)Cl ZINC000587878747 IH Annotated Reactive CCc1ccc([C@@H](N)CC(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878774 IH Annotated Mild CCc1ccc([C@H](N)CC(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878775 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000587878787 IH Annotated Mild COC(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000587878820 IH Annotated Mild COC(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000587878823 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cc1ccc(O)nn1 ZINC000587878985 IH Annotated Mild COC(=O)C(C)(C)NCc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879002 IH Annotated Mild CCOC(=O)CC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879276 IH Annotated Mild CCOCCOc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879315 IH Annotated Mild CN(Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)CCl ZINC000587879676 IH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1N1CCCC1=O ZINC000587879713 IH Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879747 IH Annotated Mild Nc1ccc(OC2CCOCC2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879783 IH Annotated Mild N#C[C@H](c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000587879880 IH Annotated Mild N#C[C@@H](c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000587879881 IH Annotated Mild O=C(O)CC(CC(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879889 IH Annotated Mild COCCCOc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879906 IH Annotated Mild CCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC ZINC000587879994 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(N)c1Cl ZINC000587880034 IH Annotated Mild CCN(CC)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880153 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000587880155 IH Annotated Mild CN(C)/C=C(\C#N)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880204 IH Annotated Reactive CN(C)/C=C(/C#N)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880206 IH Annotated Reactive CON(C)C(=O)c1ccc(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880297 IH Annotated Mild COc1ccc(-c2nc(O)c[nH]2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880318 IH Annotated Mild CCOC(=O)c1cccc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880335 IH Annotated Mild CCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(N)=O ZINC000587880341 IH Annotated Mild CCC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O ZINC000587880514 IH Annotated Mild N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NCCCCO ZINC000587880592 IH Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)NC1CC1 ZINC000587880628 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(Cl)c([N+](=O)[O-])c1 ZINC000587880649 IH Annotated Mild CCCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587880654 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C ZINC000587880719 IH Annotated Mild CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1C(=O)C=CC1=O ZINC000587880765 IH Annotated Mild CCOC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880785 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(=O)O)c(Br)c1 ZINC000587880816 IH Annotated Mild CCOCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880824 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cnc1N1CCCC1 ZINC000587880899 IH Annotated Mild O=C(O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880917 IH Annotated Mild O=C(O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880918 IH Annotated Mild CN(C)CCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587880932 IH Annotated Mild CC(C)(O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880987 IH Annotated Mild C#CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)OC ZINC000587881010 IH Annotated Mild COC(=O)[C@H](C)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587881120 IH Annotated Mild COC(=O)[C@@H](C)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587881121 IH Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881176 IH Annotated Mild COCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587881191 IH Annotated Mild CON(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl ZINC000587881312 IH Annotated Mild C#CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC ZINC000587881411 IH Annotated Mild CC1(COc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2C=O)COC1 ZINC000587881446 IH Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccn2)nc1O ZINC000587881652 IH Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587881707 IH Annotated Mild CCOC(=O)c1nc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1C#N ZINC000587881727 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cnc1N1CCCCC1 ZINC000587881728 IH Annotated Mild CCN(CC)c1ncc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881739 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cnc1OCC1CC1 ZINC000587881741 IH Annotated Mild COC(=O)c1cc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)[nH]n1 ZINC000587881808 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2(C(=O)O)CCOCC2)c1 ZINC000587881828 IH Annotated Mild Cn1ccnc(Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c1=O ZINC000587881951 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNC2CCOCC2)c1 ZINC000587882310 IH Annotated Mild C[C@@H](CC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882470 IH Annotated Mild C[C@H](CC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882471 IH Annotated Mild CC(C)NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587882496 IH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)CCC(=O)O ZINC000587882505 IH Annotated Mild CCN(CC)C(=O)c1cc(N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882633 IH Annotated Mild COC(=O)/C(=C\N(C)C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882678 IH Annotated Mild COC(=O)/C(=C/N(C)C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882682 IH Annotated Mild COCC[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882701 IH Annotated Mild COCC[C@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882702 IH Annotated Mild CCOC(=O)CC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882704 IH Annotated Mild CCOC(=O)C[C@H](N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882723 IH Annotated Mild CCOC(=O)C[C@@H](N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882724 IH Annotated Mild CCOC(=O)C[C@H](O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882725 IH Annotated Mild CCOC(=O)C[C@@H](O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882727 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)NC2CC2)cc([N+](=O)[O-])c1 ZINC000587882737 IH Annotated Mild CCOC(=O)[C@@H](C#N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882958 IH Annotated Mild CCOC(=O)[C@H](C#N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882959 IH Annotated Mild CCOC(=O)CN[C@@H](C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883078 IH Annotated Mild CCOC(=O)CN[C@H](C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883079 IH Annotated Mild CCCNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587883111 IH Annotated Mild CC(=O)NCCOc1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883162 IH Annotated Mild N#CC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCNCC1 ZINC000587883413 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CCOCC2)cc1 ZINC000587883646 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2NCCc3nc[nH]c32)cc1 ZINC000587883681 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2NCCc3nc[nH]c32)cc1 ZINC000587883682 IH Annotated Mild NCCc1ncc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883704 IH Annotated Mild N#CC1=C(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)COC1=O ZINC000587883754 IH Annotated Reactive NCC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCOCC1 ZINC000587883810 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)c2cncnc2)cc1 ZINC000587883927 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2occ(C(=O)O)c(=O)c2c1 ZINC000587883992 IH Annotated Mild CCCn1c(O)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587884021 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)c2cncnc2)cc1 ZINC000587884056 IH Annotated Mild COC(=O)C[C@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884170 IH Annotated Mild COC(=O)C[C@@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884171 IH Annotated Mild C#CCN[C@H]1CCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884223 IH Annotated Mild C#CCN[C@@H]1CCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884224 IH Annotated Mild CN1c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2NC(=O)C1(C)C ZINC000587884240 IH Annotated Mild CC(C)(C)N1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[C@H]1O ZINC000587884262 IH Annotated Mild CC(C)(C)N1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[C@@H]1O ZINC000587884263 IH Annotated Mild CCOC(=O)[C@@H]1COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884376 IH Annotated Mild CCOC(=O)[C@H]1COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884378 IH Annotated Mild Cc1c(C#N)c(=O)oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884407 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000587884570 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(=O)c(C(=O)O)cc2c1 ZINC000587884687 IH Annotated Mild CC(C)CN1C(=O)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884835 IH Annotated Mild CCOC(=O)C[C@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884880 IH Annotated Mild CCOC(=O)C[C@@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884881 IH Annotated Mild Cc1c(C(=O)O)c(=O)oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884918 IH Annotated Mild CCCN1C(=O)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884936 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC[C@@]21C[C@@H]1C(=O)O ZINC000587884956 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC[C@]21C[C@H]1C(=O)O ZINC000587884959 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC[C@@]21C[C@H]1C(=O)O ZINC000587884960 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC[C@]21C[C@@H]1C(=O)O ZINC000587884962 IH Annotated Mild COC(=O)[C@@H]1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2N1 ZINC000587885051 IH Annotated Mild COC(=O)[C@H]1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2N1 ZINC000587885056 IH Annotated Mild C[C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N1CCNCC1 ZINC000587885079 IH Annotated Mild C[C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N1CCNCC1 ZINC000587885088 IH Annotated Mild COC(=O)c1cc(O)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587885193 IH Annotated Mild CC(C)([C@@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)[N+](=O)[O-] ZINC000587885300 IH Annotated Mild CC(C)([C@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)[N+](=O)[O-] ZINC000587885301 IH Annotated Mild COC(=O)CCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885381 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(Cc2cccc(C(=O)O)c2)c1 ZINC000587885383 IH Annotated Mild Cc1cc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)oc1C(=O)O ZINC000587885404 IH Annotated Mild CCOC(=O)c1n[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885428 IH Annotated Mild CCOC(=O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC ZINC000587885604 IH Annotated Mild CCOC(=O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC ZINC000587885606 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c([N+](=O)[O-])c1)OCCC2=O ZINC000587885634 IH Annotated Mild CCOc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC(=O)N2 ZINC000587885771 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC000587885972 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@@H]2CCCCNC2=O)cc1 ZINC000587885973 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(OCC2CC2)c(C(=O)O)c1 ZINC000587885976 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(-c2cccc(C(=O)O)c2)c1 ZINC000587886063 IH Annotated Mild COc1cc2cnn(C(C)=O)c2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886067 IH Annotated Mild CCOC(=O)c1n[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886185 IH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCC(C=O)=C2 ZINC000587886197 IH Annotated Reactive Cn1ccnc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1=O ZINC000587886218 IH Annotated Mild CC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c21 ZINC000587886236 IH Annotated Mild COc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC(=O)N2C ZINC000587886367 IH Annotated Mild Cc1cc2[nH]cc(C(=O)O)c(=O)c2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886396 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c2nccc(O)c2c1 ZINC000587886492 IH Annotated Mild O=C(O)Cc1c(O)[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886500 IH Annotated Mild COC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1C ZINC000587886532 IH Annotated Mild N#Cc1cccn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1=O ZINC000587886595 IH Annotated Mild CCOC(=O)Cc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587886638 IH Annotated Mild O=C(O)/C=C/c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCO2 ZINC000587886649 IH Annotated Mild O=C(O)/C=C\c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCO2 ZINC000587886653 IH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c(=O)c(C(=O)O)c[nH]c12 ZINC000587886786 IH Annotated Mild CC(C)(O)c1cn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nn1 ZINC000587886792 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc(C)oc12 ZINC000587886843 IH Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc[nH]c12 ZINC000587886912 IH Annotated Mild COC(=O)C(=O)c1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886946 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Oc2ccc(CO)cc2)nc1 ZINC000587887282 IH Annotated Mild CC(C)(C)OC(=O)Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887371 IH Annotated Mild CC(C)(C)NC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887428 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Oc2ccc(O)cc2)nc1 ZINC000587887476 IH Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1NCc1ccco1 ZINC000587887495 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCCc2ccccn2)nc1 ZINC000587887534 IH Annotated Mild CC(C)(C)OC(=O)c1cc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887541 IH Annotated Mild Nc1cccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587887554 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(Br)c1C(=O)O ZINC000587887569 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000587887604 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000587887621 IH Annotated Mild CC(C)(C)OC(=O)NCc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887625 IH Annotated Mild Nc1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887642 IH Annotated Mild CC(C)(C)C(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C#N ZINC000587887708 IH Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2[nH]1 ZINC000587887872 IH Annotated Mild O=C(O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCCO2 ZINC000587887925 IH Annotated Mild O=C(O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCCO2 ZINC000587887926 IH Annotated Mild CCn1cnc2cc(C(=O)OC)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587887998 IH Annotated Mild O=C(O)C[C@H]1CC(=O)Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888026 IH Annotated Mild O=C(O)C[C@@H]1CC(=O)Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888029 IH Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1OCC=C2 ZINC000587888073 IH Annotated Mild COC(=O)c1cc2oc(C)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1C ZINC000587888106 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000587888116 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000587888118 IH Annotated Mild Nc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cccnc12 ZINC000587888135 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c3[nH]c(C(=O)O)cc13)OCO2 ZINC000587888174 IH Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2[nH]cnc2c1 ZINC000587888181 IH Annotated Mild Nc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ncccc12 ZINC000587888183 IH Annotated Mild COC(=O)Cc1c[nH]c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888230 IH Annotated Mild CCOC(=O)c1cc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587888235 IH Annotated Mild O=Cc1c(Br)cncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888267 IH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(Cl)nc(N)c2c1 ZINC000587888438 IH Annotated Mild COc1c(C(N)=O)cc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888586 IH Annotated Mild CCOC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1OCO2 ZINC000587888680 IH Annotated Mild CCCn1nnc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888718 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c(C(=O)O)c(O)cnc12 ZINC000587888731 IH Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2cn1 ZINC000587888780 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Br)c(C(=O)O)c1 ZINC000587888793 IH Annotated Mild CC(C)(C)C(=O)Nc1cc(C=O)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888816 IH Annotated Mild CC(C)(C)OC(=O)N=c1cc[nH]c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888822 IH Annotated Mild COCCOCCCc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888875 IH Annotated Mild CC(C)(C)C(=O)Nc1cc(CO)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888899 IH Annotated Mild COC(=O)c1cc2c(OC)ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587889046 IH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(Cl)nc(N)c12 ZINC000587889054 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c([N+](=O)[O-])cn1 ZINC000587889063 IH Annotated Mild CC(C)n1nnc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587889237 IH Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCCCO2 ZINC000587889246 IH Annotated Mild CC(C)(C)C(=O)Nc1cc(O)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889331 IH Annotated Mild CC(C)(C)OC(=O)N=c1cc[nH]cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889399 IH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587889429 IH Annotated Mild CCOC(=O)c1[nH]c2cccnc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889431 IH Annotated Mild CC(C)(C)C(=O)Nc1cc(C#N)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889450 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Br)c([N+](=O)[O-])c1 ZINC000587889455 IH Annotated Mild CCOC(=O)c1[nH]c2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCCC2=O ZINC000587889486 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncc([N+](=O)[O-])cc1Br ZINC000587889529 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cnc1Br ZINC000587889558 IH Annotated Mild O=Cc1cc(Br)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889773 IH Annotated Mild CCOC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc2[nH]1 ZINC000587889789 IH Annotated Mild CC(C)(C)OC(=O)Nc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587889824 IH Annotated Mild COc1nc(Br)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889881 IH Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1OCc1ccccc1 ZINC000587890002 IH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)n1 ZINC000587890145 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(Br)n1 ZINC000587890209 IH Annotated Mild COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587890268 IH Annotated Mild CCOC(=O)c1nc2ccc(C)cn2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890446 IH Annotated Mild CCOC(=O)c1cn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2cn1 ZINC000587890479 IH Annotated Mild CC(C)(C)OC(=O)NCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000587890494 IH Annotated Mild COC(=O)c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890547 IH Annotated Mild CCOC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(C)c2n1 ZINC000587890634 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cn2cc(C(=O)O)nc12 ZINC000587890638 IH Annotated Mild CCOC(=O)c1cnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587890733 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)oc1Br ZINC000587890736 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(Br)nn2c1 ZINC000587890777 IH Annotated Mild CCOC(=O)c1nc2ccccn2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890789 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000587890794 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)[nH]1 ZINC000587890817 IH Annotated Mild CCOC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2n1 ZINC000587890865 IH Annotated Mild CCOC(=O)c1cnn2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587890934 IH Annotated Mild CCOC(=O)c1ncn2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587890960 IH Annotated Mild CCOC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587890999 IH Annotated Mild CCOC(=O)c1cn2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1 ZINC000587891008 IH Annotated Mild CCOC(=O)c1cnn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc12 ZINC000587891031 IH Annotated Mild CCOC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(C)cc2n1 ZINC000587891037 IH Annotated Mild CCOC(=O)c1ncn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587891123 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(Br)cn2ccnc12 ZINC000587891142 IH Annotated Mild CCOC(=O)c1cnn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587891171 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CC(=O)N(c2ccccc2Cl)C1=O ZINC000587891200 IH Annotated Mild CCOC(=O)c1cn2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891217 IH Annotated Mild CCOC(=O)c1cn2cc(C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891225 IH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2c(CN(C)C)cnc12 ZINC000587891236 IH Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccn2n1 ZINC000587891239 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cn2c([N+](=O)[O-])cnc12 ZINC000587891249 IH Annotated Mild CCOC(=O)c1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccn12 ZINC000587891291 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn2ccnc2c(Br)n1 ZINC000587891305 IH Annotated Mild CCOC(=O)C(F)(F)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587891337 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nnc(C(F)(F)F)n2c1 ZINC000587891366 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cn2ncnc12 ZINC000587891381 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c(C(F)(F)F)nc2c1 ZINC000587891419 IH Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)cc1N ZINC000587891446 IH Annotated Mild CCOC(=O)c1[nH]nc(C(F)(F)F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891488 IH Annotated Mild NC(=O)c1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891543 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)C(=O)O)cc1 ZINC000587891561 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(F)(F)F)c(C(=O)O)c1 ZINC000587891759 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)C(F)F)c1 ZINC000587891794 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1OCCF ZINC000587891813 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccn2c(C(F)(F)F)nnc2c1 ZINC000587891906 IH Annotated Mild COC(=O)c1cc(C(F)(F)F)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891910 IH Annotated Mild Nc1cc(N)c(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891911 IH Annotated Mild Nc1cc(OC(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587892005 IH Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1N ZINC000587892011 IH Annotated Mild Nc1cc(Br)c(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587892051 IH Annotated Mild Cc1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1F ZINC000587892133 IH Annotated Mild N[C@H](CO)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892405 IH Annotated Mild N[C@@H](CO)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892406 IH Annotated Mild COC(=O)c1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587892649 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC000587892671 IH Annotated Mild CNc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c1F ZINC000587892703 IH Annotated Mild COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1F ZINC000587892821 IH Annotated Mild NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892948 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1F ZINC000587892993 IH Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OCC(F)(F)F ZINC000587893009 IH Annotated Mild NC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587893026 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000587893330 IH Annotated Mild COC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893332 IH Annotated Mild COC(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587893442 IH Annotated Mild COC(=O)c1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000587893453 IH Annotated Mild CCOC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894225 IH Annotated Mild N#C/C(=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F)C(=O)O ZINC000587894454 IH Annotated Reactive N#C/C(=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F)C(=O)O ZINC000587894455 IH Annotated Reactive NC(=O)[C@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894602 IH Annotated Reactive NC(=O)[C@@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894603 IH Annotated Reactive COC(=O)/C(C#N)=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894668 IH Annotated Reactive COC(=O)/C(C#N)=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894669 IH Annotated Reactive COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c([N+](=O)[O-])c1 ZINC000587894675 IH Annotated Mild Nc1nnc(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2F)s1 ZINC000587894690 IH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 ZINC000587894931 IH Annotated Unstable CC(C)(C)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587894968 IH Annotated Mild CC(C)(C#N)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587894996 IH Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 ZINC000587895144 IH Annotated Unstable Cn1cnnc1Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587895418 IH Annotated Mild COc1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895478 IH Annotated Unstable Cc1cc(-c2sccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc(N)n1 ZINC000587895705 IH Annotated Mild Nc1nnc(-c2cc(F)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)s1 ZINC000587895723 IH Annotated Mild COc1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895746 IH Annotated Unstable COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 ZINC000587895793 IH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)CCCl)c1 ZINC000587895821 IH Annotated Reactive NCCSCCOc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896016 IH Annotated Mild NNC(=S)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000587896078 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)n2cccc2)cc1 ZINC000587896134 IH Annotated Mild Cc1cccc(S(=O)(=O)Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896217 IH Annotated Unstable Cc1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896300 IH Annotated Unstable CCn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587896382 IH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl ZINC000587896605 IH Annotated Unstable N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1S(=O)(=O)Cl ZINC000587896618 IH Annotated Unstable COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 ZINC000587896702 IH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CS(=O)(=O)Cl)c1 ZINC000587896725 IH Annotated Unstable CCOC(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587896921 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CS(=O)(=O)Cl ZINC000587896929 IH Annotated Unstable COc1ccc(-c2n[nH]c(S)n2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896966 IH Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 ZINC000587897016 IH Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3nc(S)nnc3c2c1 ZINC000587897288 IH Annotated Mild O=C1CCN(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000587897449 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc([C@H](NC2CC2)C(=O)O)c1 ZINC000587897459 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc([C@@H](NC2CC2)C(=O)O)c1 ZINC000587897460 IH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(Cc2ccc(C(=O)O)s2)c1 ZINC000587897501 IH Annotated Mild CN(Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1)C(=O)CCl ZINC000587897516 IH Annotated Reactive CN1CCN(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000587897679 IH Annotated Mild CCOC(=O)c1nc(Cl)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897706 IH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1NC(C)=O ZINC000587897772 IH Annotated Mild CNc1cc(-c2cscc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ncn1 ZINC000587898855 IH Annotated Mild CC(=O)Nc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc2s1 ZINC000587899029 IH Annotated Mild C[C@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)NC(=O)CS1 ZINC000587899133 IH Annotated Mild C[C@@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)NC(=O)CS1 ZINC000587899135 IH Annotated Mild NNC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2s1 ZINC000587899219 IH Annotated Reactive CCOC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc2n1 ZINC000587899267 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1N1C[C@@H](C(=O)O)CC1=O ZINC000587900321 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1N1C[C@H](C(=O)O)CC1=O ZINC000587900322 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000587907901 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2nc(N)c(C(N)=O)cc2c1 ZINC000587911702 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2cc(C(N)=O)c(N)nc12 ZINC000587911810 IH Annotated Mild CCOC(=O)c1cn2cc(C#Cc3cc(Cl)ccc3OC)nc(Br)c2n1 ZINC000587912255 IH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@]2(Br)C12OCCO2 ZINC000587912865 IH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(Br)C12OCCO2 ZINC000587912867 IH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2[C@H](C1=O)[C@H]1C=C[C@@]2(Br)C12OCCO2 ZINC000587912869 IH Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(Br)C12OCCO2 ZINC000587912871 IH Annotated Mild CCOC(=O)c1cn2cc(Br)nc(C#Cc3cc(Cl)ccc3OC)c2n1 ZINC000587913061 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccn2cc(OS(=O)(=O)C(F)(F)F)nc2c1 ZINC000587914329 IH Annotated Unstable COc1ccc(Cl)cc1C#Cc1nc(I)cc(OC)c1OC ZINC000587917199 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(N)c([N+](=O)[O-])c1 ZINC000587917259 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(N)c(C#N)c1F ZINC000587917869 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O ZINC000587918432 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(OC)c([N+](=O)[O-])c1C ZINC000587918498 IH Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)/C(=C1\SC(=S)NC1=O)C(=O)N2 ZINC000587920537 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N2 ZINC000587920538 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@]23CCC(=O)N2[C@H](C(=O)O)CS3)cc1 ZINC000587921065 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)O)CS3)cc1 ZINC000587921066 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)O)CS3)cc1 ZINC000587921067 IH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)O)CS3)cc1 ZINC000587921068 IH Annotated Mild CCN(c1ccc(-c2csc(CCNC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000587922291 IH Annotated Anodyne CCN(c1ccc(-c2csc(-c3cn(C4CCCC4)nc3N)n2)cc1)S(C)(=O)=O ZINC000587922681 IH Annotated Anodyne Cc1cc(C(F)(F)F)n(CCc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 ZINC000587922993 IH Annotated Anodyne CCN(c1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1)S(C)(=O)=O ZINC000587923327 IH Annotated Anodyne CCN(c1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1)S(C)(=O)=O ZINC000587923328 IH Annotated Anodyne Cc1cc(C(F)(F)F)nn1CCc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923492 IH Annotated Anodyne CCN(c1ccc(-c2csc(-c3cc(OC)c(OC)cc3N)n2)cc1)S(C)(=O)=O ZINC000587923525 IH Annotated Anodyne CCN(c1ccc(-c2csc(CC(=O)Nc3ccccc3OC)n2)cc1)S(C)(=O)=O ZINC000587923561 IH Annotated Anodyne Cc1cc(C(F)(F)F)n(CCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)n1 ZINC000587923744 IH Annotated Anodyne Cc1cc(C(F)(F)F)nn1CCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000587923763 IH Annotated Anodyne CN(c1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1)S(C)(=O)=O ZINC000587923774 IH Annotated Anodyne CN(c1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1)S(C)(=O)=O ZINC000587923775 IH Annotated Anodyne CN(c1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O ZINC000587923789 IH Annotated Reactive CN(c1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O ZINC000587923790 IH Annotated Reactive CN(C)CCOc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923794 IH Annotated Anodyne CN(CCc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)C(=O)OC(C)(C)C ZINC000587923802 IH Annotated Anodyne C[C@H](Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)NC(=O)OC(C)(C)C ZINC000587923810 IH Annotated Anodyne CN(c1ccc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000587923983 IH Annotated Anodyne Cc1nnc(N2CCCC2)c(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1C ZINC000587924017 IH Annotated Anodyne Cc1nnc(N2CCCC2)c(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1C ZINC000587924310 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587925952 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587926764 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587926766 IH Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(-c3cccc(OC)c3)c2)c1OC ZINC000587926805 IH Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1OC ZINC000587926849 IH Annotated Anodyne COc1ccc(OC)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1OC ZINC000587926859 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCc3ccc(OC)cc3OC)[nH]c2c1 ZINC000587928273 IH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587928892 IH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587929861 IH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934568 IH Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(C(=O)O)c1O ZINC000587934950 IH Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(CCC(=O)O)c1O ZINC000587935980 IH Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936065 IH Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccc(N)cc4)c3O)cc2Br)CC1 ZINC000587936650 IH Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(CSC(C)=O)c2O)c(Cl)cc1Br ZINC000587936716 IH Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(Cc4ccccc4)c3O)cc2Br)CC1 ZINC000587937677 IH Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937940 IH Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938818 IH Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938838 IH Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938852 IH Annotated Anodyne O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587939098 IH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587939211 IH Annotated Mild C=C(C)C(=O)OCCOc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587939214 IH Annotated Mild C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(Br)cnc1Br ZINC000587939886 IH Annotated Mild O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587940039 IH Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940257 IH Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1OCC[C@H](N)C(=O)O ZINC000587940269 IH Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940270 IH Annotated Anodyne O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587940732 IH Annotated Anodyne Oc1ccc(OCCCc2ccccc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941314 IH Annotated Anodyne Oc1ccc(OCCc2ccccc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941861 IH Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587942052 IH Annotated Anodyne O=C1Cc2c3c(n(-c4ccc(Br)cc4OCc4ccccc4)c2O1)OC(=O)C3 ZINC000587942095 IH Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587942166 IH Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587942415 IH Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587942416 IH Annotated Anodyne Cc1cc(OCCn2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)c(C(C)C)cc1Cl ZINC000587942877 IH Annotated Anodyne Cc1cc(OCCn2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)c(C(C)C)cc1Cl ZINC000587942878 IH Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1OC ZINC000587942982 IH Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(CCCc2ccc(Cl)c(Cl)c2)c1OC ZINC000587943166 IH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943241 IH Annotated Mild COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943260 IH Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OC ZINC000587943448 IH Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OC ZINC000587943585 IH Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OC ZINC000587943587 IH Annotated Anodyne COC(=O)c1cc(OC)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OC ZINC000587943836 IH Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OC ZINC000587943982 IH Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587944025 IH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587944342 IH Annotated Mild COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OC ZINC000587944608 IH Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(Cc2ccccc2)c1O ZINC000587944690 IH Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587944824 IH Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587944825 IH Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944863 IH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945167 IH Annotated Mild COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945398 IH Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945750 IH Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OC ZINC000587945947 IH Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OC ZINC000587945948 IH Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3nc(S)ncc3C(=O)Nc3cccc(F)c3)c2O)cc1 ZINC000587945954 IH Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)C(=O)O ZINC000587946346 IH Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946428 IH Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946829 IH Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946830 IH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(I)cnc4[nH]1)(C3)C2 ZINC000587949829 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587949946 IH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587949996 IH Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587950397 IH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4[nH]c(O)nc(NCc5ccccc5)c-4n1)(C3)C2 ZINC000587951050 IH Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587952819 IH Annotated Anodyne C=CC(C)(C)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587954273 IH Annotated Mild CC[C@H](C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587954656 IH Annotated Anodyne CC[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587954657 IH Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587962120 IH Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C=C4CCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587964920 IH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(I)cnc(Cl)c4[nH]1)(C3)C2 ZINC000587969029 IH Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c(F)c1)N1CCCC1 ZINC000059112832 IH Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1F)N1CCCC1 ZINC000059112835 IH Annotated Anodyne CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000059184088 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@H]3O[C@]4(O)[C@H](C)[C@@H](C)OC(=O)[C@]4(C)[C@H]3C2=CO1 ZINC000059588447 IH Annotated Mild in-vitro biogenic Cc1ccc2c(c1)[C@@]1(CC(=O)N(CCc3scnc3C)C1=O)C(=O)N2Cc1ccccc1 ZINC000059645980 IH Annotated Anodyne COc1ccc(-c2oc3c(OC(=O)CC(C)C)c(O)c(OC)c(O)c3c(=O)c2OC)cc1 ZINC000059772436 IH Annotated Anodyne COc1ccc2c(c1[C@@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O)O[C@H](c1ccccc1)CC2=O ZINC000059775351 IH Annotated Anodyne COc1ccc2c(c1[C@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O)O[C@H](c1ccccc1)CC2=O ZINC000059775359 IH Annotated Anodyne in-vitro biogenic Cc1ccc(Cl)cc1N1CCN([C@@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000059833476 IH Annotated Anodyne Cc1ccc(Cl)cc1N1CCN([C@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000059833479 IH Annotated Anodyne Cc1ccc(Cl)cc1N1CCN([C@@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000059833482 IH Annotated Anodyne Cc1ccc(Cl)cc1N1CCN([C@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000059833483 IH Annotated Anodyne COc1cccc(CN2CCN(Cc3nc(-c4cccc(F)c4F)oc3C)CC2=O)c1 ZINC000059925519 IH Annotated Anodyne COC(=O)[C@H](CCc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000006001655 IH Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1OC ZINC000006001871 IH Annotated Anodyne C=C1c2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)[C@@]2(C(=O)OC)C[C@@H]3C=C[C@H]2N1C3 ZINC000006004811 IH Annotated Anodyne CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000006015182 IH Annotated Mild COC(=O)[C@H](CC[C@@H]1C=CN(S(=O)(=O)c2ccc(C)cc2)C1)/N=C/c1ccccc1 ZINC000006040568 IH Annotated Mild COC(=O)[C@H](CC[C@H]1C=CN(S(=O)(=O)c2ccc(C)cc2)C1)/N=C/c1ccccc1 ZINC000006040569 IH Annotated Mild C[C@@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N(C2CCCCC2)C1=O ZINC000006041452 IH Annotated Mild O=C1C[C@H](c2ccccc2Cl)C2(C(=O)NC(=O)NC2=O)[C@@H](c2ccccc2Cl)C1 ZINC000006041910 IH Annotated Anodyne O=C1C[C@@H](c2ccccc2Cl)C2(C(=O)NC(=O)NC2=O)[C@H](c2ccccc2Cl)C1 ZINC000006041911 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2)c1 ZINC000006173356 IH Annotated Mild O=[N+]([O-])c1cc(/C(O)=N/Cc2cccnc2)ccc1S(=O)(=O)c1ccccc1Cl ZINC000006181005 IH Annotated Anodyne CCC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3c(C)cccc3C)cc2c1=O ZINC000006181327 IH Annotated Mild Cc1cccc(-n2c(O)c(/C=N/NC(=O)c3ccccc3Cl)c3ccccc3c2=O)n1 ZINC000006188690 IH Annotated Reactive Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCCN(C)C)cc12 ZINC000006321934 IH Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4cccnc4)c3)nn2)c1 ZINC000060386909 IH Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(O)c(-c4cc[nH]c4)c3)nn2)c1 ZINC000060582108 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000061711224 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000061711225 IH Annotated Anodyne CN(C)c1ccc(CC(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccccc4)no3)C2)cc1 ZINC000061895930 IH Annotated Anodyne CN(C)c1ccc(CC(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccccc4)no3)C2)cc1 ZINC000061895931 IH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)c1 ZINC000061895934 IH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)c1 ZINC000061895935 IH Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061896160 IH Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061896161 IH Annotated Anodyne CC(=O)Oc1ccccc1Cn1c(C)c(C(=O)N(C)Cc2ccc(F)cc2)sc1=O ZINC000061898249 IH Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)CCCc1ccccc1 ZINC000061898624 IH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061898697 IH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061898699 IH Annotated Anodyne COc1cc(CN2C(=O)[C@@H](Cc3ccccc3)ON=C2c2ncccc2C)cc(OC)c1 ZINC000061902878 IH Annotated Anodyne COc1cc(CN2C(=O)[C@H](Cc3ccccc3)ON=C2c2ncccc2C)cc(OC)c1 ZINC000061902879 IH Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)c(OC)c1 ZINC000061903842 IH Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000061903845 IH Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000061903846 IH Annotated Anodyne CN(C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4F)cn23)c1 ZINC000061903896 IH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)cc1 ZINC000061904405 IH Annotated Clean CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)cc1 ZINC000061904406 IH Annotated Clean CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCCC2)cc1 ZINC000061904573 IH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCCC2)cc1 ZINC000061904574 IH Annotated Anodyne N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)cc1 ZINC000061904667 IH Annotated Mild N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)cc1 ZINC000061904668 IH Annotated Mild CC(=O)Nc1cc(-c2cccc(C(=O)NCCN(C)C)c2)cn2c(-c3ccccc3)cnc12 ZINC000061905163 IH Annotated Anodyne CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@@H]3CCCO3)[nH]n2)cc1 ZINC000061905191 IH Annotated Anodyne CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@H]3CCCO3)[nH]n2)cc1 ZINC000061905192 IH Annotated Anodyne CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccnn4C)c4ccoc34)cc2)CC1 ZINC000061905483 IH Annotated Clean COc1ccc(CCCNC(=O)[C@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 ZINC000061905494 IH Annotated Anodyne COc1ccc(CCCNC(=O)[C@@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 ZINC000061905495 IH Annotated Anodyne CCc1nc2c(OCc3ccccc3C(=O)OC)cccn2c1N(C)C(=O)c1ccncc1 ZINC000061905503 IH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000061905527 IH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000061905528 IH Annotated Anodyne CC(=O)N1CCc2cc(NC(=O)[C@]3(C)CCN3Cc3ccccc3OC(F)F)ccc21 ZINC000061905559 IH Annotated Anodyne CC(=O)N1CCc2cc(NC(=O)[C@@]3(C)CCN3Cc3ccccc3OC(F)F)ccc21 ZINC000061905560 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061905839 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061905840 IH Annotated Anodyne CN(C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cccs4)cn23)c1 ZINC000061906376 IH Annotated Anodyne COc1ccc(CNC(=O)[C@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1OC ZINC000061906596 IH Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1OC ZINC000061906597 IH Annotated Anodyne CCc1nc2ccc(C(=O)N(C)CCCN(C)C)cn2c1N(C)CCCc1ccccc1 ZINC000061906751 IH Annotated Anodyne CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)cc1 ZINC000061907122 IH Annotated Anodyne C[C@]1(C(=O)Nc2ccc(F)c(Cl)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061907230 IH Annotated Anodyne C[C@@]1(C(=O)Nc2ccc(F)c(Cl)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061907231 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061907440 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061907441 IH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)c1 ZINC000061907538 IH Annotated Clean CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)c1 ZINC000061907539 IH Annotated Clean CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)C(=Nc3ccc4c(c3)OCO4)S2)cc1 ZINC000061907776 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)C/C=C/c2ccccc2)on1 ZINC000061908223 IH Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)C/C=C/c2ccccc2)on1 ZINC000061908224 IH Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](Cc2ccccc2)ON=C1c1ncccc1C ZINC000061908723 IH Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](Cc2ccccc2)ON=C1c1ncccc1C ZINC000061908724 IH Annotated Anodyne CC(=O)Oc1ccccc1Cn1c(C)c(C(=O)NCc2cccc(Cl)c2)sc1=O ZINC000061908834 IH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000061920951 IH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000061920952 IH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061920957 IH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061920958 IH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NC2CCCC2)C1 ZINC000061921510 IH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NC2CCCC2)C1 ZINC000061921511 IH Annotated Anodyne CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1F ZINC000061922172 IH Annotated Anodyne O=C(Nc1ccc(Br)cc1F)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 ZINC000061922200 IH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C)C)=C1C ZINC000061923389 IH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C)C)=C1C ZINC000061923390 IH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N(C)C)=C1C ZINC000061923416 IH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N(C)C)=C1C ZINC000061923417 IH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NC2CCCC2)C1 ZINC000061923493 IH Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NC2CCCC2)C1 ZINC000061923495 IH Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4ccccc4)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000061923996 IH Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000061924213 IH Annotated Anodyne CCN(Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1Br ZINC000061924414 IH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4O)c(C)c1c32 ZINC000061924474 IH Annotated Anodyne COc1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1OC ZINC000061925849 IH Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1OC ZINC000061925850 IH Annotated Anodyne CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1 ZINC000061926371 IH Annotated Anodyne COc1cc(Cn2c3ccc(NC(=O)CCc4ccc(O)cc4)cc3c(=O)n2C)ccc1F ZINC000061926455 IH Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061926518 IH Annotated Anodyne c1ccc(COc2cccc(-c3cc4nc(NCCN5CCOCC5)ccn4n3)c2)cc1 ZINC000061926833 IH Annotated Anodyne CSc1ccc(Cn2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2=O)cc1 ZINC000061926880 IH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccc(F)c(F)c2)O3)cc1 ZINC000061926910 IH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccc(F)c(F)c2)O3)cc1 ZINC000061926911 IH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061927505 IH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061927507 IH Annotated Anodyne CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCc3ccc(OC(F)F)cc3)cccn12 ZINC000061927640 IH Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061927727 IH Annotated Anodyne CCCCN(C=O)c1c(CC)nc2c(OCc3ccc(S(C)(=O)=O)cc3)cccn12 ZINC000061927754 IH Annotated Anodyne CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 ZINC000061928033 IH Annotated Clean CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 ZINC000061928034 IH Annotated Clean C[C@]1(C(=O)Nc2ccc(F)c(Cl)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061928832 IH Annotated Anodyne C[C@@]1(C(=O)Nc2ccc(F)c(Cl)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061928834 IH Annotated Anodyne COc1cc(OC)nc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)n1 ZINC000061928940 IH Annotated Anodyne COc1cc(OC)nc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)n1 ZINC000061928941 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)on1 ZINC000061929446 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)on1 ZINC000061929448 IH Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 ZINC000061929483 IH Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 ZINC000061929485 IH Annotated Anodyne CC(C)S(=O)(=O)N1CCC[C@H](c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)C1 ZINC000061930663 IH Annotated Anodyne CC(C)S(=O)(=O)N1CCC[C@@H](c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)C1 ZINC000061930666 IH Annotated Anodyne CN1CCN(c2ccc(CNC(=O)c3ccc(-c4cnn(C)c4)c4ccoc34)cc2)CC1 ZINC000061930746 IH Annotated Clean O=CNc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2c(-c3ccc(F)cc3)cnc12 ZINC000061930843 IH Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCc3cn(CC(=O)c4ccc(O)cc4)nn3)ccc2c1 ZINC000061931015 IH Annotated Anodyne O=S1(=O)c2ccc(Br)cc2N2CC[C@H](C2)N1Cc1ccc(Cl)cc1 ZINC000061931087 IH Annotated Anodyne CCCCN1CC(=O)N2[C@@H]3c4cc(OC)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O ZINC000061931356 IH Annotated Anodyne COc1ccc(CN(C)CCCn2cnc3c(OCc4ccccc4)ncnc32)cc1OC ZINC000061935964 IH Annotated Anodyne COc1cc(NCCCn2cnc3c(OCc4ccccc4)ncnc32)cc(OC)c1OC ZINC000061936007 IH Annotated Anodyne O=C(Nc1ccn(CCCNCc2ccc3[nH]ccc3c2)c(=O)n1)OCc1ccccc1 ZINC000061936085 IH Annotated Anodyne COc1ccc(CN2C[C@H]3CCCN3c3cc(Br)ccc3S2(=O)=O)cc1 ZINC000061944685 IH Annotated Anodyne COc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3)cc2Br)cc1 ZINC000061944704 IH Annotated Anodyne COc1cc(CN(C2CC2)S(=O)(=O)c2ccccc2Br)cc(OC)c1 ZINC000061944708 IH Annotated Anodyne COc1ccc(CN2C[C@H](COCc3ccccc3)Oc3ccccc3S2(=O)=O)cc1 ZINC000061944786 IH Annotated Anodyne COc1ccc(CN2C[C@@H](COCc3ccccc3)Oc3ccccc3S2(=O)=O)cc1 ZINC000061944788 IH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000061946945 IH Annotated Mild Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc4c(c3)OCO4)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 ZINC000061947033 IH Annotated Anodyne CC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(OC)c(OC)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947041 IH Annotated Anodyne O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948775 IH Annotated Anodyne O=C(NCc1cccc(F)c1)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O ZINC000061948825 IH Annotated Anodyne C[C@@]12C(=O)N(Cc3ccco3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061949413 IH Annotated Anodyne NC1(C#Cc2ccc3oc(=O)c(-n4cc(C5(O)CCCCC5)nn4)cc3c2)CCCCC1 ZINC000061949480 IH Annotated Mild CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)c(O)c(C)c1c32 ZINC000061949644 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958777 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@H]1c1ccc(F)c(Cl)c1 ZINC000061958779 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1CCc1ccccc1 ZINC000061958812 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1CCc1ccccc1 ZINC000061958813 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000061958916 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000061958918 IH Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc2ccccc2c1 ZINC000061958930 IH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000061959569 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(C(=O)N=Nc3c(O)[nH]c4ccccc34)CC2)cc1 ZINC000617960152 IH Annotated Clean O=C(NCCC1=CCCCC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000618005473 IH Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000618005474 IH Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000618005475 IH Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 ZINC000618005477 IH Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000618005478 IH Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000618006339 IH Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000618006355 IH Annotated Anodyne C[C@H](C(=O)NC[C@H]1CCCO1)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000618006805 IH Annotated Anodyne C[C@H](C(=O)NC[C@H]1CCCO1)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000618006810 IH Annotated Anodyne COc1cc(OC)cc(-n2nc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3c2=O)c1 ZINC000618007518 IH Annotated Anodyne COc1cc(OC)cc(-n2nc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3c2=O)c1 ZINC000618007519 IH Annotated Anodyne CN(C)CCSSCCNC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000618008221 IH Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1sc2ccccc2c1Cl ZINC000618008261 IH Annotated Reactive Cc1c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)oc2ccccc12 ZINC000618008601 IH Annotated Reactive Cc1c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)oc2ccccc12 ZINC000618008645 IH Annotated Reactive CN(C)CCSSCCNC(=O)[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000618008864 IH Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H](c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000618008865 IH Annotated Reactive Cn1ncnc1CCNC1CCN(c2cccc(-c3cc4cc(C#N)ccc4[nH]3)c2)CC1 ZINC000618009232 IH Annotated Mild CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cn5ccccc5n4)c3)CC2)CC1 ZINC000618009259 IH Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(CNc4ccccc4)c3)CC2)CC1 ZINC000618009447 IH Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccncc5[nH]4)c3)CC2)CC1 ZINC000618009504 IH Annotated Anodyne CCOc1cc(C(=O)N(C)CCSSCCN(C)C)cc(OCC)c1OCC ZINC000618009634 IH Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cncc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009795 IH Annotated Anodyne CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010010 IH Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cnccc5[nH]4)c3)CC2)CC1 ZINC000618011779 IH Annotated Anodyne CCOc1cc(C(=O)NCCCSSCCN(C)C)cc(OCC)c1OCC ZINC000618012502 IH Annotated Reactive CC(C)c1noc(-c2ccc(NC(=O)CCC[C@@H]3NC(=O)[C@H]4CCCC[C@@H]4N3)cc2)n1 ZINC000618014561 IH Annotated Anodyne CC(C)c1noc(-c2ccc(NC(=O)CCC[C@@H]3NC(=O)[C@H]4CCCC[C@H]4N3)cc2)n1 ZINC000618014568 IH Annotated Anodyne CC(C)c1noc(-c2ccc(NC(=O)CCC[C@@H]3NC(=O)[C@@H]4CCCC[C@H]4N3)cc2)n1 ZINC000618014569 IH Annotated Anodyne CC(C)c1noc(-c2ccc(NC(=O)CCC[C@@H]3NC(=O)[C@@H]4CCCC[C@@H]4N3)cc2)n1 ZINC000618014570 IH Annotated Anodyne O=C1N[C@@H]2CCCCC[C@@H]2C[C@@H]1C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000618015019 IH Annotated Anodyne O=C1N[C@@H]2CCCCC[C@@H]2C[C@@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000618015024 IH Annotated Anodyne O=C1N[C@@H]2CCCCC[C@@H]2C[C@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000618015025 IH Annotated Anodyne O=C1N[C@@H]2CCCCC[C@@H]2C[C@H]1C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000618015026 IH Annotated Anodyne O=C(C[C@H](c1nc2ccccc2s1)[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)NCc1ccccc1 ZINC000618015202 IH Annotated Anodyne O=C(C[C@H](c1nc2ccccc2s1)[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)NCc1ccccc1 ZINC000618015203 IH Annotated Anodyne O=C(C[C@H](c1nc2ccccc2s1)[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)NCc1ccccc1 ZINC000618015204 IH Annotated Anodyne CCN1C(=O)/C(=C(O)\C(C#N)=C\c2ccc(C(=O)O)cc2)C(=N)N(Cc2ccccc2)C1=O ZINC000618016145 IH Annotated Reactive O=C1N[C@H](n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)N[C@H]2CCCC[C@@H]12 ZINC000618016493 IH Annotated Anodyne O=C1N[C@H](n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)N[C@@H]2CCCC[C@@H]12 ZINC000618016504 IH Annotated Anodyne O=C1N[C@H](n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)N[C@H]2CCCC[C@H]12 ZINC000618016506 IH Annotated Anodyne O=C1N[C@H](n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)N[C@@H]2CCCC[C@H]12 ZINC000618016508 IH Annotated Anodyne CCCCS[C@@H]1NC(=O)[C@@H]2[C@@H](N=C3CCCC(O)=C3[C@H]2c2ccc(O)c(OCC)c2)N1 ZINC000618016639 IH Annotated Anodyne CCCCS[C@@H]1NC(=O)[C@@H]2[C@H](N=C3CCCC(O)=C3[C@@H]2c2ccc(O)c(OCC)c2)N1 ZINC000618016642 IH Annotated Anodyne CCCCS[C@@H]1NC(=O)[C@@H]2[C@H](N=C3CCCC(O)=C3[C@H]2c2ccc(O)c(OCC)c2)N1 ZINC000618016643 IH Annotated Anodyne CCCCS[C@@H]1NC(=O)[C@H]2[C@@H](c3ccc(O)c(OCC)c3)C3=C(O)CCCC3=N[C@H]2N1 ZINC000618016644 IH Annotated Anodyne CN(C)CC(=O)NC[C@@]1(c2ccccc2)CC[C@@H]2O[C@H](c3ccccc3)C[C@H](O)[C@H]2CC1 ZINC000618016795 IH Annotated Anodyne O[C@H]1CC[C@](CNCc2cccc3cccnc23)(c2ccccc2)CC[C@@H]1N1CCOCC1 ZINC000618016799 IH Annotated Anodyne CCN1CCN(C(=O)c2cncc(O)c2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000618016923 IH Annotated Anodyne CCN1CCN(C(=O)c2cncc(O)c2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000618016927 IH Annotated Anodyne C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)COc1ncnc2ccccc12 ZINC000618016984 IH Annotated Anodyne CC(=O)N(C)[C@H]1CCOC2(CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000618017016 IH Annotated Anodyne CC(=O)N(C)[C@@H]1CCOC2(CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000618017018 IH Annotated Anodyne CN1C(=O)C2(CCN(Cc3ccnc(N4CCCCC4)n3)CC2)C[C@H]1Cc1ccccc1 ZINC000618017055 IH Annotated Anodyne CN1C(=O)C2(CCN(Cc3ccnc(N4CCCCC4)n3)CC2)C[C@@H]1Cc1ccccc1 ZINC000618017058 IH Annotated Anodyne CC(C)Cc1cc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)on1 ZINC000618017130 IH Annotated Anodyne CC(C)c1nccn1CCC(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCC1 ZINC000618017198 IH Annotated Anodyne COc1cccc2c1OCCNC(=O)c1ccccc1OCCN(Cc1ccccc1)C2 ZINC000618017437 IH Annotated Anodyne C[C@@H]1CC[C@](C)(CNC(=O)CC(C)(C)CC(=O)O)C[C@H](c2ccccc2)[C@@H](O)[C@@H](O)C1 ZINC000618017686 IH Annotated Anodyne O=C1NCCCCN(C(=O)COc2ccccc2F)CCCOc2ccc(Cl)cc21 ZINC000618017711 IH Annotated Anodyne Cc1nc2cc(C(=O)NCCSSCCN(C)C)ccc2n1-c1ccc(O)cc1 ZINC000618017836 IH Annotated Reactive C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCCCC2)C1 ZINC000618017992 IH Annotated Reactive CC(=O)NCCCCCC(=O)NC[C@@]1(C)CC[C@@H](C)C[C@H](O)[C@H](O)[C@@H](c2ccccc2)C1 ZINC000618018164 IH Annotated Anodyne CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)CN(C(C)C)[C@H]2c1ccc(F)cc1)C(=O)OC ZINC000062213049 IH Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1cccc2ccccc12 ZINC000062224180 IH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2Cl)[nH]n1 ZINC000062224551 IH Annotated Anodyne C[C@H]1CN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)C[C@@H](C)N1C1CCC1 ZINC000062224989 IH Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2C[C@@H]3CC[C@H](C2)N3C2CCC2)cc1 ZINC000062225002 IH Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc3[nH]ccc3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225165 IH Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc3cc[nH]c3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225170 IH Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](CCc1ccccc1)C(=O)N=c1cc[nH]cc1 ZINC000621429362 IH Annotated Anodyne CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1 ZINC000621431573 IH Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccc(NC(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3n2c1O ZINC000621431857 IH Annotated Mild C#Cc1ccc(OCC(=O)N[C@@H]2CC[C@@H](NC(=O)COc3ccc(N=[N+]=[N-])cc3)CC2)cc1 ZINC000621476429 IH Annotated Mild O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 ZINC000621476473 IH Annotated Anodyne COc1ccc(-c2ccc(O)c(C(=O)NCCSSCCN(C)C)c2)c(OC)c1 ZINC000621477300 IH Annotated Reactive O=C1c2ccccc2C(=O)N1O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477471 IH Annotated Reactive Cc1ccccc1C1(CNc2ncnc3c2cnn3-c2cccc(CO)c2)CCOCC1 ZINC000621485948 IH Annotated Anodyne Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12 ZINC000063298609 IH Annotated Anodyne CC(=O)OCCn1nc(-c2cccc(Br)c2)c2c(C(F)(F)F)cc(=O)[nH]c21 ZINC000063539632 IH Annotated Anodyne COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12 ZINC000063540192 IH Annotated Anodyne CNc1nc(N/N=C\c2cc([N+](=O)[O-])ccc2O)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000064232044 IH Annotated Mild COc1cc([C@@H]2NC(=S)NC(c3ccc(C)cc3)=C2CCC(=O)O)cc(OC)c1OC ZINC000064256515 IH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000064311472 IH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000064321100 IH Annotated Anodyne CCN1C[C@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12 ZINC000064361440 IH Annotated Anodyne CCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21 ZINC000064447716 IH Annotated Anodyne CC(=O)N(c1nc(-c2ccccc2)cs1)N(C(C)=O)S(=O)(=O)c1ccc(C)cc1 ZINC000064448869 IH Annotated Reactive COc1c(C)cc(/C=C2/C(=O)N(C)C=Cc3nc(N(C)C(=O)C(F)(F)F)[nH]c32)cc1C ZINC000064453482 IH Annotated Anodyne Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 ZINC000064453602 IH Annotated Anodyne CCCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 ZINC000064454041 IH Annotated Anodyne CCOP(=O)(OCC)[C@H](C#N)c1cc2c(s1)=C(C)O[P@@](=O)(OCC)C=2C#N ZINC000064454257 IH Annotated Mild CCOP(=O)(OCC)[C@H](C#N)c1cc2c(s1)=C(C)O[P@](=O)(OCC)C=2C#N ZINC000064454259 IH Annotated Mild CCOP(=O)(OCC)[C@@H](C#N)c1cc2c(s1)=C(C)O[P@@](=O)(OCC)C=2C#N ZINC000064454261 IH Annotated Mild CCOP(=O)(OCC)[C@@H](C#N)c1cc2c(s1)=C(C)O[P@](=O)(OCC)C=2C#N ZINC000064454263 IH Annotated Mild CCN1CCC[C@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 ZINC000064479731 IH Annotated Anodyne CCN1CCC[C@@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 ZINC000064479732 IH Annotated Anodyne CN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(-c3cnc4ccccn34)c2)cc1 ZINC000064503654 IH Annotated Anodyne Cc1occc1-c1nnc(SCC(=O)NN2CCc3ccccc32)n1Cc1ccco1 ZINC000064504041 IH Annotated Anodyne CN1CCN(C(=O)c2cc(-c3ccc4c(c3)Cc3cn[nH]c3-4)c(-c3ccncc3)o2)CC1 ZINC000064510540 IH Annotated Anodyne O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000064511941 IH Annotated Anodyne CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(C#CCCCF)c2)C1=O ZINC000064512404 IH Annotated Mild O=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CCCC2)c1ccc(Cl)cc1 ZINC000064512413 IH Annotated Anodyne CCCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21 ZINC000064513323 IH Annotated Mild Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)c3)CC2)n1 ZINC000064526563 IH Annotated Mild O=C(CCC1=CCCN(CCCc2ccc3ccccc3c2Br)C1=O)NO ZINC000064526881 IH Annotated Bother CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCNC(C)(C)C3)cn2)n1 ZINC000064527076 IH Annotated Anodyne OC1(c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)c2ccccc2-c2ccccc21 ZINC000064527103 IH Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3sccc3Br)CC2)nc1 ZINC000064527232 IH Annotated Anodyne CCOC(=O)Cc1cc(Br)c(OC(=O)c2ccncc2)c(Br)c1 ZINC000064527235 IH Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccsc3Br)CC2)nc1 ZINC000064527407 IH Annotated Anodyne CC(C)CC1(CC(C)C)O[C@H]2C=C(CO)[C@]3(O)[C@@H]4OC(C)(C)O[C@@]45CCC[C@@H]4[C@@H]1[C@@H]2[C@@]453 ZINC000064527673 IH Annotated Anodyne Cc1cc([C@]2(c3ccc(F)c(C#CC4CC4)c3)NC(=N)N(C)C2=O)ccc1OC(F)F ZINC000064528014 IH Annotated Mild COCCCNC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 ZINC000064528121 IH Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)cs3)CC2)nc1 ZINC000064539677 IH Annotated Anodyne CNc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 ZINC000064539968 IH Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Br)s3)CC2)nc1 ZINC000064548972 IH Annotated Anodyne COc1cc(C(=O)c2ccc(-c3ccc(O)cc3)cc2-n2cncn2)cc(OC)c1OC ZINC000064553057 IH Annotated Anodyne CCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064559084 IH Annotated Mild CCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064559085 IH Annotated Mild CC(C)(CNC(=O)C1(C)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559208 IH Annotated Anodyne CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2N)c1 ZINC000064559949 IH Annotated Anodyne CCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064560298 IH Annotated Mild CCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064560299 IH Annotated Mild COc1cc(C(=O)c2ccc(-c3csc(C)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064564660 IH Annotated Anodyne C[n+]1cccc2cc(/C=C3\C[N+](C)(C)C/C(=C\c4ccc5c(ccc[n+]5C)c4)C3=O)ccc21 ZINC000064573273 IH Annotated Mild CCN1CCN(Cc2ccc(-c3cc4c([C@](C)(N)c5ccccc5)ncnc4[nH]3)cc2)CC1 ZINC000064573539 IH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc(C)c3C)CC2)cc1 ZINC000064586030 IH Annotated Anodyne Oc1ccc2ccccc2c1/C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000064623338 IH Annotated Mild CCCC[C@@](O)(C(=O)NCCCCCCN)C(=O)N(Nc1ccccc1)c1ccccc1 ZINC000064633615 IH Annotated Reactive in-vitro CCCC[C@](O)(C(=O)NCCCCCCN)C(=O)N(Nc1ccccc1)c1ccccc1 ZINC000064633617 IH Annotated Reactive in-vitro CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)c1nc(-c2ccccc2)c(-c2ccccc2)o1)C(C)C ZINC000064705103 IH Annotated Anodyne O=C(c1ccco1)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)CC1 ZINC000006577421 IH Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000006577621 IH Annotated Anodyne C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000006577622 IH Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000006577623 IH Annotated Anodyne C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000006577624 IH Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2c(C)noc2C)c1 ZINC000006577663 IH Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000006591157 IH Annotated Anodyne COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C(F)F)c1 ZINC000006716354 IH Annotated Anodyne O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Oc1ccccc1)N2 ZINC000006718565 IH Annotated Bother CC1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000006725287 IH Annotated Anodyne CC1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000006725288 IH Annotated Anodyne CC1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000006725289 IH Annotated Anodyne CC1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000006725290 IH Annotated Anodyne CC1=C(C(=O)Nc2ccc(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)cc2)SCCO1 ZINC000006750708 IH Annotated Anodyne CC1=C(C(=O)Nc2ccc(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cc2)SCCO1 ZINC000006750709 IH Annotated Anodyne CC1=C(C(=O)Nc2ccc(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cc2)SCCO1 ZINC000006750710 IH Annotated Anodyne CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCC(C)CC3)nnc12 ZINC000006868490 IH Annotated Anodyne COCCNc1ncc(C)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)n1 ZINC000653661722 IH Annotated Anodyne COCCOc1ncc(C)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)n1 ZINC000653662282 IH Annotated Anodyne COc1cc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)ncn1 ZINC000653664369 IH Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2cccc3c2cnn3C)C(=O)c2ccc(O)cc2O)cc1 ZINC000653665393 IH Annotated Anodyne C[C@H]1CCc2cc(-c3ccc(-n4ccnc4)nn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653671932 IH Annotated Anodyne C[C@@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccccn1 ZINC000653672878 IH Annotated Anodyne C[C@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccccn1 ZINC000653672879 IH Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3cccnc3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653674052 IH Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3cccnc3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653674054 IH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC(F)F ZINC000653676038 IH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC(F)F ZINC000653676039 IH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653679830 IH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653679838 IH Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccc(N4CCCCC4)nc3)cnn12 ZINC000653680404 IH Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ncccc2CO)cc1 ZINC000653681701 IH Annotated Anodyne CCn1c(=O)n(C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cnc3C)CC2)c2ccncc21 ZINC000653682152 IH Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)CCc3ccccn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683847 IH Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)CCc3ccccn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683848 IH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C34CCC(CC3)C4)n2)cc1OC(F)F ZINC000653686444 IH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C34CCC(CC3)CC4)n2)cc1OC(F)F ZINC000653686447 IH Annotated Anodyne c1ccc(-c2csc3nc(O[C@@H]4C[C@H]5C[C@H]4CN5)nc(N4[C@H]5CC[C@H]4COC5)c23)cc1 ZINC000653686477 IH Annotated Anodyne c1ccc(-c2csc3nc(O[C@H]4C[C@H]5C[C@H]4CN5)nc(N4[C@H]5CC[C@H]4COC5)c23)cc1 ZINC000653686478 IH Annotated Anodyne CCN(CC)CCCCn1c(N)c(-c2nc3ccccc3o2)c2nc(C#N)c(C#N)nc21 ZINC000653687084 IH Annotated Mild N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCNc3ccccc3)c2nc1C#N ZINC000653687097 IH Annotated Mild O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc(OC(F)F)cc3)[C@@H]12 ZINC000653687662 IH Annotated Bother COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC ZINC000653687973 IH Annotated Clean CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(N3CCCCC3)c(N3CCCCC3)cc2n1O ZINC000653687992 IH Annotated Anodyne C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1CC(=O)CCC ZINC000653688556 IH Annotated Mild C#CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1CC(=O)CCC ZINC000653688557 IH Annotated Mild COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(OC)cc1 ZINC000653689439 IH Annotated Bother CSc1ccc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)cc1 ZINC000653689996 IH Annotated Bother CCN(CC)CCCn1c(N)c(-c2nc3ccc(Cl)cc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653690538 IH Annotated Mild CCCCCCCCn1cc(/C=C/C(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nn1 ZINC000653692087 IH Annotated Mild COc1cc(/C(=N/O)c2nc(-c3ccc(Br)cc3)no2)cc(OC)c1OC ZINC000653692114 IH Annotated Mild Cc1ccc2c(C[n+]3cn(Cn4nnc5ccccc54)c4ccccc43)cc(=O)oc2c1C ZINC000653696808 IH Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccc[nH]1 ZINC000653697784 IH Annotated Reactive C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(CNCc1ccccc1)=C2CCC1=CCOC1=O ZINC000653699596 IH Annotated Anodyne CN1CCCN(Cc2ccc(-c3ccc(CN4CCCN(C)CC4)c(F)c3F)cc2)CC1 ZINC000653700279 IH Annotated Anodyne COc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl ZINC000653700687 IH Annotated Anodyne CC(C)c1ccccc1OCCN1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cccc(Cl)c1 ZINC000653703201 IH Annotated Anodyne FC(F)(F)c1cccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)c1 ZINC000653706698 IH Annotated Anodyne Nc1c(C(=O)N/N=C/c2ccc(Br)cc2)oc2nc(C(F)(F)F)ccc12 ZINC000653707412 IH Annotated Reactive O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653707712 IH Annotated Anodyne O=C(/C=C/C=C/c1ccc(O)c(O)c1)NCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653707747 IH Annotated Clean NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccnc2)cc1 ZINC000653708477 IH Annotated Anodyne NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccnc2)cc1 ZINC000653708478 IH Annotated Anodyne CCCCCCCCCC(=O)[C@@]12O[C@@]13C1=COC(C[C@H](C)O)=CC1=CC(=O)[C@]3(C)OC2=O ZINC000653710229 IH Annotated Mild COc1ccc(CCn2c(N)c(-c3nc4ccccc4[nH]3)c3nc(C#N)c(C#N)nc32)cc1 ZINC000653712994 IH Annotated Mild CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1N ZINC000653715488 IH Annotated Anodyne CN(CCc1cnn(-c2nccc3c(O)ncnc23)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000653720558 IH Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc(O)cc3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721954 IH Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc(O)cc3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721955 IH Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc(O)cc3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721956 IH Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721957 IH Annotated Anodyne COCCOCCNC(=O)[C@@H]1c2cc(F)ccc2C(=O)N1C[C@H](C)c1ccc(Cl)cc1 ZINC000653725534 IH Annotated Anodyne COCCOCCNC(=O)[C@H]1c2cc(F)ccc2C(=O)N1C[C@@H](C)c1ccc(Cl)cc1 ZINC000653725535 IH Annotated Anodyne COCCOCCNC(=O)[C@@H]1c2cc(F)ccc2C(=O)N1C[C@@H](C)c1ccc(Cl)cc1 ZINC000653725536 IH Annotated Anodyne COCCOCCNC(=O)[C@H]1c2cc(F)ccc2C(=O)N1C[C@H](C)c1ccc(Cl)cc1 ZINC000653725537 IH Annotated Anodyne CO[P@](=O)(c1cc(C)cc(Br)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000653726171 IH Annotated Reactive CO[P@@](=O)(c1cc(C)cc(Br)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000653726172 IH Annotated Reactive CC(C)COc1cccc(Oc2cc3c(cc2NS(=O)(=O)C2CC2)n(C)c(=O)n3C)c1 ZINC000653726482 IH Annotated Anodyne Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC(=O)[C@H]2C[C@@H](O)CC[C@@]21C ZINC000653726678 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)c1 ZINC000653727814 IH Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12 ZINC000653728054 IH Annotated Anodyne O=C([C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)N1CCOCC1 ZINC000653728680 IH Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4ccc(Cl)cc4Cl)o3)nn2)c(N)n1 ZINC000653730818 IH Annotated Anodyne O=[P@](O)(OCO)OCCC#CC#CCCCCCC/C=C/I ZINC000653733772 IH Annotated Mild COCC[S@@+](C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000653735453 IH Annotated Mild COCC[S@+](C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000653735454 IH Annotated Mild Oc1ncnc2c(-n3cc(CCN4CCC(c5ccccc5Cl)CC4)cn3)nccc12 ZINC000653735568 IH Annotated Anodyne O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000653737627 IH Annotated Anodyne CCC/C=C/C[C@H]1C[C@H](O)[C@@H](O)[C@@H]2/C(C)=C/[C@H]3C=C[C@H]4O[C@H]4[C@@H]3/C(C)=C/C=C\[C@@H]2C(=O)N1 ZINC000653745755 IH Annotated Anodyne CCC/C=C/C[C@@H]1C[C@H](O)[C@@H](O)[C@@H]2/C(C)=C/[C@H]3C=C[C@H]4O[C@H]4[C@@H]3/C(C)=C/C=C\[C@@H]2C(=O)N1 ZINC000653745761 IH Annotated Anodyne CCC/C=C/C[C@H]1C[C@@H](O)[C@@H](O)[C@@H]2/C(C)=C/[C@H]3C=C[C@H]4O[C@H]4[C@@H]3/C(C)=C/C=C\[C@@H]2C(=O)N1 ZINC000653745762 IH Annotated Anodyne CCC/C=C/C[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]2/C(C)=C/[C@H]3C=C[C@H]4O[C@H]4[C@@H]3/C(C)=C/C=C\[C@@H]2C(=O)N1 ZINC000653745764 IH Annotated Anodyne CNS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1 ZINC000653747685 IH Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(SC(F)(F)F)cc2)C3=O)n1 ZINC000653749404 IH Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F ZINC000653752855 IH Annotated Anodyne O=C(NCCO)c1cccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)c1 ZINC000653753038 IH Annotated Anodyne C[C@H]1CN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3n2)C[C@@H](C)N1C ZINC000653754356 IH Annotated Anodyne C[C@@H]1CN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3n2)C[C@@H](C)N1C ZINC000653754357 IH Annotated Anodyne C[C@H]1CN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3n2)C[C@H](C)N1C ZINC000653754358 IH Annotated Anodyne Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(O)cc1)CCN(Cc1ccccc1)C3 ZINC000653757902 IH Annotated Mild Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(F)c3)no2)cc(NC(C)C)n1 ZINC000653764333 IH Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(CNCc1ccccc1)[C@H]2CCC1=CCOC1=O ZINC000653764337 IH Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(O[C@@H]4CNC(=O)C4)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653764387 IH Annotated Anodyne Cc1cc(-c2nc(-c3cc(F)c(O[C@H]4COC[C@H]4O)cc3Cl)no2)cc(NC(C)C)n1 ZINC000653764390 IH Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653765005 IH Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(-c3cccnc3)cnc12 ZINC000653765528 IH Annotated Anodyne O[C@H]1CCN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)C1 ZINC000653767475 IH Annotated Anodyne O[C@@H]1CCN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)C1 ZINC000653767477 IH Annotated Anodyne CN(C)C(=O)c1ccc(N(CCN2CCCCC2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653768315 IH Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653768316 IH Annotated Anodyne COC(=O)c1ccccc1-c1c2ccoc2c(OCCN2CCOCC2)c2oc(=O)ccc12 ZINC000653769911 IH Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2ccccn2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653775804 IH Annotated Anodyne CN1CCN(c2ccc3nc(-c4ccc5ncsc5c4)c(-c4ccncc4)n3n2)CC1 ZINC000653779548 IH Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2cccnc12 ZINC000653783637 IH Annotated Anodyne O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2cccc3c2OCO3)nn1 ZINC000653786694 IH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNCCc4ccccc4)c3O)O2)cc1O ZINC000653786723 IH Annotated Clean COc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653787758 IH Annotated Bother COc1ccc(-c2nc(NC(=O)NCCCC(=O)NO)cc3c4ccccc4n(C)c23)cc1 ZINC000653790352 IH Annotated Bother CN1CCN(c2ccn3c(C(=O)C(F)(F)F)cc(-c4cccc5nccn45)c3c2)CC1 ZINC000653790991 IH Annotated Anodyne Cn1cc(Br)c(/C=C/C=C/C(=O)/C=C/c2nn(C)cc2Br)n1 ZINC000653791394 IH Annotated Mild CC[C@H](c1nnnn1Cc1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000653793002 IH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000653793004 IH Annotated Anodyne N#CCC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 ZINC000653794067 IH Annotated Mild COc1cc2c(c(OC)c1OC)C/C(=C\c1cc(OC)c(OC)c(OC)c1OC)C2=O ZINC000653794143 IH Annotated Mild O=S(=O)(NCc1cccc2ccccc12)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653796681 IH Annotated Mild CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000653798394 IH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000653798395 IH Annotated Anodyne Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(N3CCC[C@@H](CO)C3)nc21 ZINC000653799727 IH Annotated Anodyne Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(N3CCC[C@H](CO)C3)nc21 ZINC000653799728 IH Annotated Anodyne CCCOc1nccc2c(-c3cnc(-c4ccc(COP(=O)(O)O)nc4)s3)[nH]nc12 ZINC000653799911 IH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(C)cc3s2)CC1 ZINC000653803710 IH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(C)cc3s2)CC1 ZINC000653803713 IH Annotated Anodyne COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)ccn1 ZINC000653804886 IH Annotated Anodyne C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(NCCS(=O)(=O)O)C1=O ZINC000653806217 IH Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(N(C)CCS(=O)(=O)O)C1=O ZINC000653806225 IH Annotated Mild CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(F)cccc3s2)CC1 ZINC000653807567 IH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(F)cccc3s2)CC1 ZINC000653807568 IH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000653807572 IH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000653807573 IH Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(F)ccc3s2)CC1 ZINC000653807584 IH Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(F)ccc3s2)CC1 ZINC000653807585 IH Annotated Anodyne CCOc1cc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@H](CN3C2=O)[C@@H]45)ccc1OCOC ZINC000653808751 IH Annotated Anodyne C=CC(=O)N1CCC(Nc2ncnc(N)c2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000653819869 IH Annotated Anodyne O=C1C=CC(=O)C(c2cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)s3)on2)=C1 ZINC000653819871 IH Annotated Mild CCNC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653821654 IH Annotated Anodyne COc1ccc([C@@H]2CSc3nnc(-c4cc(-c5ccccc5)[nH]n4)n3N2C(C)=O)cc1 ZINC000653822670 IH Annotated Anodyne COc1ccc([C@H]2CSc3nnc(-c4cc(-c5ccccc5)[nH]n4)n3N2C(C)=O)cc1 ZINC000653822671 IH Annotated Anodyne CNC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653823218 IH Annotated Anodyne NCCNc1cc(N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)nc2ccccc12 ZINC000653823886 IH Annotated Anodyne CC(=O)Oc1ccccc1CCC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C ZINC000653827661 IH Annotated Anodyne CC(=O)Oc1ccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1 ZINC000653827664 IH Annotated Anodyne CC(=O)Oc1cccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1 ZINC000653827692 IH Annotated Anodyne C=CC(=O)N1CCC(Nc2ncnc(NC(C)C)c2C(=O)c2ccc(OCC)cc2)CC1 ZINC000653831400 IH Annotated Anodyne O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(Br)c(Br)[nH]1 ZINC000653837698 IH Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N\c1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000653837835 IH Annotated Mild C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N\c1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000653837837 IH Annotated Mild Cc1c(C(=O)CSCCNC(=O)c2ccc3ccccc3c2)[n+](=O)c2ccccc2n1O ZINC000653838526 IH Annotated Anodyne Cc1cc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)c(C)s1 ZINC000653842855 IH Annotated Anodyne O=c1nc(O)c(Br)c(COCc2ccccc2)n1COCc1ccccc1 ZINC000653842861 IH Annotated Anodyne Cc1ccc(COCc2c(Br)c(O)nc(=O)n2COCc2ccccc2)cc1 ZINC000653843988 IH Annotated Anodyne CN1CCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000653844325 IH Annotated Anodyne Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000653847615 IH Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3c2C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000653850200 IH Annotated Anodyne Cc1ccc(N(CC(=O)Nc2ccc(C#N)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000653850856 IH Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3c2C(=O)N(c2cccnc2)C3=O)cc1 ZINC000653851654 IH Annotated Anodyne COc1ccc(/C=C/C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)cc1OC ZINC000653854062 IH Annotated Anodyne CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N2CCc3c([nH]c4ccccc34)CC2=O)cc1 ZINC000653854418 IH Annotated Clean CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N2CCc3c([nH]c4ccccc34)CC2=O)cc1 ZINC000653854438 IH Annotated Clean CCc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1 ZINC000653854441 IH Annotated Anodyne C[C@H]1CCN2C[C@]34Cc5c([nH]c6c7c(ccc56)OC(C)(C)CC7=O)C(C)(C)[C@@H]3C[C@@]12C(=O)N4 ZINC000653856245 IH Annotated Anodyne CCO[C@@H](C)Oc1cc2ncnc(Nc3ccc(OC)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653861633 IH Annotated Bother CCO[C@H](C)Oc1cc2ncnc(Nc3ccc(OC)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653861635 IH Annotated Bother N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1F)c1ccccn1 ZINC000653863987 IH Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1F)c1ccccn1 ZINC000653863988 IH Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 ZINC000653864113 IH Annotated Anodyne COc1cc(-c2ccn(CCN3CCC(N(C)C)CC3)n2)ccc1NC(=O)OC(C)(C)C ZINC000653866771 IH Annotated Anodyne CN1CCN(CCN2C[C@@H]3[C@@H](c4ccccc4)C[C@](N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653873343 IH Annotated Anodyne CN1CCN(CCN2CC3[C@@H](c4ccccc4)CC(N(C)C)(C[C@@H]3c3ccccc3)C2)CC1 ZINC000653873344 IH Annotated Anodyne CN1CCN(CCN2CC3[C@H](c4ccccc4)CC(N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653873345 IH Annotated Anodyne N#Cc1ccc(/C=C/c2nc3cc(C(=O)O)ccc3c(=O)n2-c2cccc(C(=O)O)c2)cc1 ZINC000653876672 IH Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1OC ZINC000653878767 IH Annotated Anodyne CC(C)(C)OC(=O)NC1CCC(C#CC2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)CC1 ZINC000653882152 IH Annotated Mild CN1CCN(c2ccc(-n3cc(-c4ccncc4OC[C@@H]4CC[C@@H](N)CC4)cn3)cc2)CC1 ZINC000653886973 IH Annotated Anodyne Oc1c(I)cc(I)c2nc3ccccc3nc12 ZINC000653887587 IH Annotated Bother CC(C)[C@@]12C[C@@H](NC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/C1CCCCC1 ZINC000653894821 IH Annotated Anodyne O=S(=O)(Oc1cc(CSc2ccccn2)[nH]n1)c1ccc(Br)cc1 ZINC000653895011 IH Annotated Anodyne NC(=O)c1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCC[C@@H]1C2 ZINC000653895461 IH Annotated Anodyne NC(=O)c1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCC[C@H]1C2 ZINC000653895462 IH Annotated Anodyne Cc1nc(-c2ccccc2Br)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653899332 IH Annotated Reactive Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653899370 IH Annotated Reactive Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653899397 IH Annotated Reactive O=C(Cn1cc(CCCO)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1 ZINC000653899398 IH Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1cccc(F)c1)c1ccccn1 ZINC000653914361 IH Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1cccc(F)c1)c1ccccn1 ZINC000653914362 IH Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(F)cc1)c1ccccn1 ZINC000653914434 IH Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(F)cc1)c1ccccn1 ZINC000653914435 IH Annotated Anodyne CCO[C@@H](C)Oc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653916381 IH Annotated Bother CCO[C@H](C)Oc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653916382 IH Annotated Bother CCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC ZINC000653916434 IH Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(\NOCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000066065944 IH Annotated Mild Cc1ccsc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O ZINC000066073905 IH Annotated Anodyne NCCNC(=O)C(CN)(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000066074382 IH Annotated Anodyne CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2c(F)cccc2F)C(=O)O)cc1 ZINC000066074570 IH Annotated Anodyne C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1 ZINC000066075030 IH Annotated Mild C[C@@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1 ZINC000066075032 IH Annotated Mild c1cc(-c2sc(-c3ccc(C4=NCCN4)cc3)c3c2OCCO3)ccc1C1=NCCN1 ZINC000066075674 IH Annotated Anodyne Oc1ccc(Br)c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 ZINC000066076305 IH Annotated Anodyne C=CCC1=C(O[C@@]2(CC=C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066076653 IH Annotated Mild C=CCC1=C(O[C@]2(CC=C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066076655 IH Annotated Mild NC(=O)C[S@](=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066076738 IH Annotated Anodyne NC(=O)C[S@@](=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066076740 IH Annotated Anodyne Cc1cc(C(=O)NCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079650 IH Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(\NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000066079790 IH Annotated Mild Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2N(C)C)c1 ZINC000066080305 IH Annotated Anodyne CNC(=O)C[S@@](=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066097883 IH Annotated Anodyne CNC(=O)C[S@](=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066097885 IH Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCn1cc(CCCCCc2c[nH]c(N)n2)nn1 ZINC000066098679 IH Annotated Anodyne CC(=O)c1ccncc1-c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1 ZINC000066098835 IH Annotated Anodyne COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066099621 IH Annotated Anodyne NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000066100358 IH Annotated Anodyne NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066100360 IH Annotated Anodyne CCC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)nc21 ZINC000066101104 IH Annotated Anodyne CNCCNc1c2c(c(NCCNC)c3oc(C(C)(C)C)cc13)C(=O)c1ccccc1C2=O ZINC000066101165 IH Annotated Clean CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(O)nc21 ZINC000066101851 IH Annotated Anodyne NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(CN)c1 ZINC000066102064 IH Annotated Anodyne NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(CN)c1 ZINC000066102066 IH Annotated Anodyne NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000066102068 IH Annotated Anodyne NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066102070 IH Annotated Anodyne COc1nc2c(cc1Nc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066102632 IH Annotated Anodyne COc1cc(-c2nnc3n2CCCN3Cc2ccc(C#N)cc2)ccc1-n1cnc(C)c1 ZINC000066103409 IH Annotated Mild COc1ccc(CN2CCCn3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc32)cc1 ZINC000066104084 IH Annotated Anodyne CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000066105118 IH Annotated Anodyne COc1cc(-c2nnc3n2CCCN3C(=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066111533 IH Annotated Anodyne CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000066111761 IH Annotated Mild CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000066111762 IH Annotated Mild CC(C)(C)OC(=O)N1CCN(c2nc3nc(N)nc(-c4ccc(F)cc4)c3s2)CC1 ZINC000066112008 IH Annotated Anodyne COc1cc(-c2nnc3n2CCCN3C(=O)Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066112253 IH Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccccc1Br)[C@@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113682 IH Annotated Mild O=C1CCCC2=C1[C@@H](c1ccccc1Br)[C@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113683 IH Annotated Mild O=C1CCCC2=C1[C@H](c1ccccc1Br)[C@@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113685 IH Annotated Mild O=C1CCCC2=C1[C@H](c1ccccc1Br)[C@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113687 IH Annotated Mild Cc1noc(C)c1S(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066124215 IH Annotated Anodyne CC(C)OC(=O)[C@H](C)NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066128451 IH Annotated Anodyne CC(C)OC(=O)[C@@H](C)NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066128453 IH Annotated Anodyne CC(C)OC(=O)[C@@H](C)NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000066128454 IH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066138202 IH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066138204 IH Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066138207 IH Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066148471 IH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066148474 IH Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066148476 IH Annotated Anodyne COc1nc(Cc2cccc(Cl)c2F)cc2c(=O)c(C(=O)O)cn([C@H](CO)C(C)C)c12 ZINC000066156534 IH Annotated Anodyne CCN1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000066157589 IH Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@H](C)[C@H]2O[C@@]12C ZINC000066166156 IH Annotated Anodyne C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)NCc1ccco1)CC3 ZINC000066166327 IH Annotated Anodyne CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c(C)c1c32 ZINC000066166826 IH Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1Cc1ccccc1C2 ZINC000066167129 IH Annotated Anodyne CN(C)CCNC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc2[nH]ncc2c1 ZINC000066251454 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(OC(F)(F)F)cc3)c1)C2 ZINC000066251759 IH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000066251994 IH Annotated Bother COc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000066252242 IH Annotated Anodyne NCc1ccc(-c2nn3c(-c4ccc(S(=O)(=O)c5ccccc5)cc4)nnc3s2)cc1 ZINC000066258688 IH Annotated Anodyne COC(=O)N1CCC(OCC(=O)Nc2ccc(-c3nc4cc(C#N)cc(C)c4o3)cc2)CC1 ZINC000066258714 IH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC000066258797 IH Annotated Bother O=C1[C@@H](Cl)[C@@H](c2cccc(Br)c2)N1/N=C/CCn1nnc2ccccc21 ZINC000066258814 IH Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cccc(Br)c2)N1/N=C/CCn1nnc2ccccc21 ZINC000066258815 IH Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cccc(Br)c2)N1/N=C/CCn1nnc2ccccc21 ZINC000066258816 IH Annotated Reactive O=C1[C@H](Cl)[C@H](c2cccc(Br)c2)N1/N=C/CCn1nnc2ccccc21 ZINC000066258817 IH Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(OC(F)(F)F)cc3)c1)C2 ZINC000066258848 IH Annotated Bother CC(C)CN(NC(=O)c1cc(-c2cccs2)on1)c1nc(C#N)ncc1Br ZINC000066259116 IH Annotated Reactive COc1ccc([C@@H]2[C@@H](c3ccc(N)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000066259240 IH Annotated Anodyne O=c1[nH]c(CCSc2nc3ccccc3n2[N+](=O)[O-])nc2sc3c(c12)CCCC3 ZINC000066259642 IH Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2Br)N1/N=C/CCn1nnc2ccccc21 ZINC000066261892 IH Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2Br)N1/N=C/CCn1nnc2ccccc21 ZINC000066261895 IH Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2Br)N1/N=C/CCn1nnc2ccccc21 ZINC000066261897 IH Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Br)N1/N=C/CCn1nnc2ccccc21 ZINC000066261899 IH Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(OC(F)(F)F)cc3)ccn1)C2 ZINC000066262920 IH Annotated Bother NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2CCN(C3CCOCC3)CC2)cc1 ZINC000066263317 IH Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOC(C)(C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000067875079 IH Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(C3=CCOCC3)cc12 ZINC000068203581 IH Annotated Anodyne Cc1cnc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1 ZINC000068204857 IH Annotated Anodyne Cc1cc(C#Cc2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccn1 ZINC000068207741 IH Annotated Anodyne Cc1cc(C#Cc2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccn1 ZINC000068207744 IH Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(C(F)(F)F)cn1 ZINC000068208619 IH Annotated Anodyne CCCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(C(F)(F)F)cn1 ZINC000068208622 IH Annotated Anodyne CCN(C)C(=O)c1cnc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3oc(C)cc23)cn1 ZINC000068246558 IH Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3CCCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000068247147 IH Annotated Anodyne COC(=O)c1ccc(-c2cnc3sc(-c4cnc(N)c(C(F)(F)F)c4)nn23)cc1OC ZINC000068247390 IH Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CNCCC2 ZINC000068248168 IH Annotated Anodyne CC(C)n1cc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)c2ccccc21 ZINC000068248919 IH Annotated Anodyne C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000070454033 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000070454037 IH Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H]2CC[C@@H]3[C@H](C[C@H]4[C@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@@]34C)[C@@H]2CN2C[C@](C)(O)CC[C@H]12 ZINC000070454380 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H]13)[C@]2(C)O ZINC000070454872 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070454873 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H]13)[C@]2(C)O ZINC000070454875 IH Annotated Anodyne in-vitro biogenic Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccc(N(C)C)cc4)no3)CC2)c1 ZINC000070459598 IH Annotated Anodyne O=[S@@](ONCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12 ZINC000070718881 IH Annotated Mild O=[S@](ONCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12 ZINC000070718885 IH Annotated Mild COc1ccc(CNc2nc(N(C)C[C@H](O)c3ccccc3)nc3c2NCN3C(C)C)cc1 ZINC000070719157 IH Annotated Anodyne COc1ccc(CNc2nc(N(CCO)Cc3ccccc3)nc3c2NCN3C(C)C)cc1 ZINC000070719183 IH Annotated Anodyne CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719272 IH Annotated Anodyne CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(=O)O)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719273 IH Annotated Anodyne COc1c(Cl)cc(Cl)cc1CN1C(=O)CNC(=O)[C@H]1Cc1c[nH]c2ccccc12 ZINC000071280483 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)n2ncc(C(=O)OCc4cccs4)c2n[n+]3[O-])cc1 ZINC000071281223 IH Annotated Anodyne NC1=N[C@H](c2ccccc2)NC(NCCCOc2c(Cl)cc(Cl)cc2Cl)=N1 ZINC000071281641 IH Annotated Anodyne NC1=N[C@@H](c2ccccc2)NC(NCCCOc2c(Cl)cc(Cl)cc2Cl)=N1 ZINC000071281645 IH Annotated Anodyne Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(=O)(=O)C(C)C)cc2=O)nc1 ZINC000071282405 IH Annotated Anodyne NC1=N[C@@H](c2ccc(C(F)(F)F)cc2)NC(NCCCOc2ccc(Cl)cc2)=N1 ZINC000071294370 IH Annotated Anodyne C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071294801 IH Annotated Anodyne COc1c(Cl)cc(Cl)cc1CN1C(=O)CNC(=O)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000071294957 IH Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N(C)C ZINC000071295404 IH Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1cc(Br)cc(Br)c1)C1=C(COC1=O)N2 ZINC000071295828 IH Annotated Anodyne Cc1n[nH]c2c1[C@H](c1cc(Br)cc(Br)c1)C1=C(COC1=O)N2 ZINC000071295829 IH Annotated Anodyne CCOC(=O)[C@@H](CCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000071296198 IH Annotated Unstable CCOC(=O)[C@H](CCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000071296199 IH Annotated Unstable CCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 ZINC000071296262 IH Annotated Anodyne C[C@H]1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)cc2)nc2c1COC2(C)C ZINC000071296291 IH Annotated Anodyne CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(C(N)=O)c1 ZINC000071296396 IH Annotated Anodyne O=C1c2ncc3c(c(COCCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071296606 IH Annotated Clean COc1c(N2CC[C@@H](CNC(C)C)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071316117 IH Annotated Anodyne O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(OC(F)(F)F)cc3)c21 ZINC000071316224 IH Annotated Clean CC(C)[C@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O ZINC000071316425 IH Annotated Mild CC(C)[C@@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O ZINC000071316426 IH Annotated Mild O=C1c2ncc3c(c(COCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071316828 IH Annotated Clean COc1c(N2CC[C@@H]([C@H](C)N(C)C)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000071316844 IH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC(=O)O[C@@](O)(c4ccoc4)[C@]3(C)CC[C@H]21 ZINC000071317175 IH Annotated Mild in-vitro Cc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)no1 ZINC000071317250 IH Annotated Anodyne Cc1nnc(-c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)o1 ZINC000071317419 IH Annotated Anodyne O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(F)c(Br)c3)c21 ZINC000071317670 IH Annotated Clean CC(C)c1c(Cc2ccccc2)n(COCCCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071317988 IH Annotated Anodyne CC(C)OCCOCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O ZINC000071318271 IH Annotated Clean CC[C@H](NC)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 ZINC000071318690 IH Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1 ZINC000071319041 IH Annotated Anodyne Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000071319142 IH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000071319143 IH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000071319144 IH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000071319145 IH Annotated Mild CC(C)c1c(Cc2ccccc2)n(COCc2cccc(Cl)c2F)c(=O)n(O)c1=O ZINC000071329030 IH Annotated Anodyne O=C1c2ncc3c(c(COCC4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071329366 IH Annotated Clean COc1ccc([C@@H]2[C@@H]([C@H](O)c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329422 IH Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@@H](O)c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329423 IH Annotated Anodyne CNC(=O)c1nc2ccc(CCNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[nH]1 ZINC000071329635 IH Annotated Anodyne CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(Cl)c(C)cc3OC)cc2cn1 ZINC000071329664 IH Annotated Anodyne C[C@@H]1O[C@@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H]2Cl)[C@@H](Br)C[C@H]2O[C@H]12 ZINC000071330437 IH Annotated Reactive CCCn1c(CN2C(=O)COc3c2cc(C)cc3[N+](=O)[O-])nnc1-c1ccc(Cl)cn1 ZINC000071331365 IH Annotated Bother O[C@@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@H](O)C6)c4)c3)CCC1CC2 ZINC000071331700 IH Annotated Bother O[C@@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@@H](O)C6)c4)c3)CCC1CC2 ZINC000071331701 IH Annotated Bother O[C@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@@H](O)C6)c4)c3)CCC1CC2 ZINC000071331703 IH Annotated Bother O=C1NCCCC[C@H]1N(Cc1ccc2ncccc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071331770 IH Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071331805 IH Annotated Anodyne Cn1c(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc2ccccc21 ZINC000071333588 IH Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071340277 IH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1coc2c(ccc3occc32)c1=O ZINC000071341791 IH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1coc2c(ccc3occc32)c1=O ZINC000071341792 IH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1coc2cc3occc3cc2c1=O ZINC000071342011 IH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1coc2cc3occc3cc2c1=O ZINC000071342012 IH Annotated Anodyne CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CN(C)C)cn1 ZINC000071420790 IH Annotated Anodyne O=S(=O)(/N=C(\O)NC12CC3CC(CC(C3)C1)C2)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000071721240 IH Annotated Mild O/N=C(\NCCN1CCOCC1)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072101274 IH Annotated Mild Cc1cc(C(=O)NC2CCN([C@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)no1 ZINC000072101431 IH Annotated Anodyne Cc1cc(C(=O)NC2CCN([C@@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)no1 ZINC000072101432 IH Annotated Anodyne COc1ccc(CCNCc2coc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000072101536 IH Annotated Anodyne Cc1ccc(/C(=N/O)NCCN2CCOCC2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072101803 IH Annotated Mild N#Cc1ccc([C@H](c2cccnc2)N(C(=O)C2CC2)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000072102094 IH Annotated Mild N#Cc1ccc([C@@H](c2cccnc2)N(C(=O)C2CC2)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000072102095 IH Annotated Mild O=S(=O)(c1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072102104 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072102105 IH Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCc3cn(CC(=O)c4ccc(O)cc4)nn3)ccc2c1 ZINC000072103342 IH Annotated Anodyne C=CCOC(=O)N[C@@H](/C(C(=O)OC)=C(/C)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000072103979 IH Annotated Mild C=C1CNCCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072105371 IH Annotated Mild C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000072106345 IH Annotated Anodyne C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000072106346 IH Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1N1CC(=O)N(c2ccccc2)C1=S)C1CCCCC1 ZINC000072106523 IH Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccccc1)C1CCCCC1 ZINC000072106591 IH Annotated Anodyne COc1ccc(CNC(=N)Nc2cc3[nH]c(=O)cnc3cc2N(C)C2CCCCC2)cc1 ZINC000072106836 IH Annotated Anodyne CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 ZINC000072107039 IH Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccc(C(C)(C)C)cc3)c(=O)n12 ZINC000072107074 IH Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccc(C(C)(C)C)cc3)c(=O)n12 ZINC000072107075 IH Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2cc(F)cc(F)c2)C1 ZINC000072107186 IH Annotated Anodyne CC(C)=CCC[C@H](C)CC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107314 IH Annotated Anodyne CC(C)=CCC[C@@H](C)CC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107315 IH Annotated Anodyne O=C(CCCC1CCCCC1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107883 IH Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)C(C)=NN2C(C)=O)c1 ZINC000072108220 IH Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccccc1 ZINC000072108744 IH Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccccc1 ZINC000072108745 IH Annotated Reactive Cc1ccc(Nc2c(-c3ccc(F)c(F)c3)nc3n2CCN(C(=O)C(C)(C)N)C3)cc1 ZINC000072108961 IH Annotated Anodyne COc1ccc([C@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)C(C)=NN2C(C)=O)cc1OC ZINC000072109017 IH Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2F)C1 ZINC000072109256 IH Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@H](C)O)=C3C2=CO1 ZINC000072109303 IH Annotated Mild in-vitro CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1 ZINC000072109325 IH Annotated Anodyne Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 ZINC000072110074 IH Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(C(=O)N(C)C)CCN1C3 ZINC000072112478 IH Annotated Bother C1COCC23CC4CC(C2)CC(COCCOCC25CC6CC(CC(CO1)(C6)O2)C5)(C4)O3 ZINC000072112544 IH Annotated Anodyne Cc1cccc(O[C@@H](C)C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)c1 ZINC000072113215 IH Annotated Anodyne Cc1cccc(O[C@H](C)C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)c1 ZINC000072113216 IH Annotated Anodyne COc1cc(-c2cn(Cc3cccc(-c4noc(C)n4)c3)nn2)ccc1-n1cnc(C)c1 ZINC000072114178 IH Annotated Anodyne COc1cc(-c2cn(Cc3ccc(-c4noc(C)n4)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072114179 IH Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(OC)c(OC)c3)cc21 ZINC000072114182 IH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(OC)c(OC)c3)cc21 ZINC000072114183 IH Annotated Anodyne C=CCn1c(-c2cc3c(cc2COCOC)OCO3)cc2ccc(OC)c(OC)c2c1=O ZINC000072114286 IH Annotated Mild O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCC(F)(F)C1 ZINC000072114907 IH Annotated Anodyne CCC(CC)C(=O)/N=C(\NC1=NC(=O)CN1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072116851 IH Annotated Mild CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1cccs1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118258 IH Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1cccs1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118259 IH Annotated Anodyne CCC(CC)C(=O)/N=C(\NC1=NC(=O)CN1c1cccc(Cl)c1Cl)NC(C)C ZINC000072118316 IH Annotated Mild O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000072118386 IH Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000072118387 IH Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000072118388 IH Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000072118389 IH Annotated Anodyne CC(C)N1CC(=O)N=C1N/C(=N\C(=O)OC(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072118899 IH Annotated Mild O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1 ZINC000072119939 IH Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1 ZINC000072119940 IH Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1 ZINC000072119941 IH Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1 ZINC000072119942 IH Annotated Anodyne CCOc1ccc2c(=O)cc(CC)oc2c1COC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000072120418 IH Annotated Anodyne CCOc1ccc2c(=O)cc(CC)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000072120419 IH Annotated Anodyne CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(F)cc43)s2)[C@H](c2ccccc2)NC(=O)N1 ZINC000072122713 IH Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc(F)cc43)s2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000072122714 IH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1cccc(-c3ccc(OC(F)F)cc3)c1)C2 ZINC000072122921 IH Annotated Mild Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccc(=O)[nH]c2)cc1 ZINC000072122928 IH Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000072123183 IH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000072123244 IH Annotated Mild Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCOC2=O)cc1 ZINC000072123287 IH Annotated Clean Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000072123384 IH Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000072123385 IH Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2ccccc2nc1N1CCOCC1 ZINC000072123471 IH Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1N1CCOCC1 ZINC000072123472 IH Annotated Reactive O=C(c1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O ZINC000072123519 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)F)cc3)cc1)C2 ZINC000072123522 IH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1cccc(-c3ccc(C(F)(F)F)nc3)c1)C2 ZINC000072124353 IH Annotated Mild Nc1c(F)c(NCCNc2ccccn2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CCCC1 ZINC000072124451 IH Annotated Anodyne CCOc1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)s2)cc1OCC ZINC000072124684 IH Annotated Anodyne O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1CC(F)F ZINC000072124818 IH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cnn(C)c2)cc1 ZINC000072124933 IH Annotated Clean Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccnn2C)cc1 ZINC000072124934 IH Annotated Clean O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC(F)F ZINC000072124956 IH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2 ZINC000072125789 IH Annotated Mild NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c1[nH]c1cc(-c3cnc(N)nc3)ccc12 ZINC000072126295 IH Annotated Anodyne Cc1cc(C)cc(Cc2cc(Br)ccc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000072127555 IH Annotated Anodyne COc1nc(CC(O)(COCc2ccccc2)COCc2ccccc2)c(C)c(OC)n1 ZINC000072127567 IH Annotated Anodyne CC[C@@H]1CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000072135130 IH Annotated Anodyne CC[C@H]1CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000072135677 IH Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5C[C@H](C)O[C@H](C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135689 IH Annotated Anodyne S=C(NCCc1ccccc1)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 ZINC000072135759 IH Annotated Clean CCCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136446 IH Annotated Anodyne CCCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136447 IH Annotated Anodyne CC(=O)C1=C(C)C[C@]2(CC1)C(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)S2(=O)=O ZINC000072136729 IH Annotated Mild CC(=O)C1=C(C)C[C@@]2(CC1)C(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)S2(=O)=O ZINC000072136730 IH Annotated Mild CC(=O)C1=C(C)C[C@]2(CC1)C(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)S2(=O)=O ZINC000072136731 IH Annotated Mild CC(=O)C1=C(C)C[C@@]2(CC1)C(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)S2(=O)=O ZINC000072136732 IH Annotated Mild COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136858 IH Annotated Anodyne COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136859 IH Annotated Anodyne CN1OC[C@@H]2CN(C(=S)NCCc3ccccc3)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000072136911 IH Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072137670 IH Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072137671 IH Annotated Anodyne COc1ccc([C@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)C(C)=NN2C(C)=O)cc1[N+](=O)[O-] ZINC000072139822 IH Annotated Bother CC(C)=CC[C@@H](OC(=O)C[C@H](O)c1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072141137 IH Annotated Mild CC(C)=CC[C@@H](OC(=O)C[C@@H](O)c1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072141138 IH Annotated Mild CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccccc1 ZINC000072141143 IH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccccc1 ZINC000072141144 IH Annotated Anodyne CSCC[C@@H](c1nnnn1C1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141160 IH Annotated Anodyne CSCC[C@H](c1nnnn1C1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141161 IH Annotated Anodyne CCn1cc(-c2nnc(S)n2/N=C/c2ccc(SC)cc2)c(=O)c2ccc(C)nc21 ZINC000072141391 IH Annotated Mild O=C1c2cc3c(cc2OCN1CCc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1O3 ZINC000072171754 IH Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1O3 ZINC000072171755 IH Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1O ZINC000072171965 IH Annotated Anodyne COc1c(OCCCN(C)C)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12 ZINC000072172149 IH Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccc(OC(F)(F)F)c1)C(=O)N1CCC[C@H]1O3 ZINC000072173374 IH Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccc(OC(F)(F)F)c1)C(=O)N1CCC[C@@H]1O3 ZINC000072173375 IH Annotated Anodyne O=C(CSc1nc(CN2CCCc3ccccc32)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000072176372 IH Annotated Bother Cc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(C#N)cc2)[nH]c1=O ZINC000072176472 IH Annotated Mild C[C@]1([C@@H](O)c2ccc(Br)cc2)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000072179163 IH Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Br)cc2)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072179326 IH Annotated Anodyne CCOc1ccc(/C=N/n2c(S)nnc2-c2cn(CC)c3nc(C)ccc3c2=O)cc1 ZINC000072179535 IH Annotated Mild O=C(c1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1)N1CCC[C@H]1CN1CCCC1 ZINC000072179771 IH Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnc(O)cc2n1-c1ccccc1 ZINC000072179998 IH Annotated Anodyne CCC[C@@H](CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)OC(C)=O ZINC000072180387 IH Annotated Mild CCC[C@H](CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)OC(C)=O ZINC000072180388 IH Annotated Mild CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3F)c2C)cc1 ZINC000072181191 IH Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3F)c2C)cc1 ZINC000072181192 IH Annotated Anodyne O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F ZINC000072181313 IH Annotated Anodyne CCN(CC)CCc1cc(C)c2c(c1C)/C(=N/NC(=O)[C@@H](C)c1ccc(F)cc1)C(=O)N2 ZINC000072182017 IH Annotated Reactive CCN(CC)CCc1cc(C)c2c(c1C)/C(=N/NC(=O)[C@H](C)c1ccc(F)cc1)C(=O)N2 ZINC000072182018 IH Annotated Reactive O/N=C(\NCCN1CCOCC1)c1cccnc1Oc1ccc2oc3ccccc3c2c1 ZINC000072182376 IH Annotated Mild C=CCc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC(C(=O)OC)CC2)c(OC)c1 ZINC000072182962 IH Annotated Mild O=S(=O)(Cc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186532 IH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186533 IH Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1C ZINC000072303294 IH Annotated Reactive CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](C)N)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000072316086 IH Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](C)N)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000072316087 IH Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N(C)C3CCOCC3)n2n1 ZINC000072316504 IH Annotated Anodyne O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 ZINC000072316579 IH Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1ccc(Br)cc1C ZINC000072322872 IH Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C(/C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@@H](CO)O1 ZINC000073058036 IH Annotated Mild O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1 ZINC000073138494 IH Annotated Anodyne O=C(NCCNCCO)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 ZINC000073141008 IH Annotated Bother CN(C)CCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073141058 IH Annotated Anodyne CC[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000073142266 IH Annotated Anodyne CC[C@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000073142268 IH Annotated Anodyne CNc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(O)nc3c2=O)cc1 ZINC000073157260 IH Annotated Anodyne O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N/N=C/c1ccccc1O ZINC000073157914 IH Annotated Reactive O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N/N=C/c1ccc(Cl)c(F)c1 ZINC000073158622 IH Annotated Reactive N#Cc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000073159385 IH Annotated Reactive NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073162631 IH Annotated Anodyne CCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3cscn3)CC2)cc1 ZINC000073164548 IH Annotated Anodyne N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2OCCn2cc(F)c(=O)[nH]c2=O)c1 ZINC000073164727 IH Annotated Mild CCCOC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1CC ZINC000073165203 IH Annotated Anodyne CCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)OC(C)C ZINC000073165206 IH Annotated Anodyne CCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)OCC(C)C ZINC000073165212 IH Annotated Anodyne COC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCNC(=O)OC(C)(C)C)cc2c1=O ZINC000073165399 IH Annotated Anodyne O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(C(F)(F)F)cc1 ZINC000073195614 IH Annotated Reactive CC(=O)N1N=C(c2ccc(I)cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000073195995 IH Annotated Bother CC(=O)N1N=C(c2ccc(I)cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000073195996 IH Annotated Bother N#C/C=C/c1cc(F)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073196330 IH Annotated Reactive CNc1ccc(Oc2cc(Cl)cc(/C=C/C#N)c2)c(OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073196332 IH Annotated Reactive O=C(CCl)Nc1ccc2c(c1NC(=O)COc1ccccc1)C(=O)c1ccccc1C2=O ZINC000073197272 IH Annotated Reactive CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000073197292 IH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2cccc(F)c2)ccc1-n1cnc(C)c1 ZINC000073197470 IH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2cccc(F)c2)ccc1-n1cnc(C)c1 ZINC000073197471 IH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccccc2F)ccc1-n1cnc(C)c1 ZINC000073197472 IH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2ccccc2F)ccc1-n1cnc(C)c1 ZINC000073197473 IH Annotated Anodyne COC1=C(CC(C)(C)CNC(=O)c2cc(OC)ccc2OC)C(=O)c2ccccc2C1=O ZINC000073197748 IH Annotated Mild CCCCCCCC(=O)OC[C@H](O)Cn1cc(CN(C)CCCc2ccccc2)nn1 ZINC000073197897 IH Annotated Mild CCCCCCCC(=O)OC[C@@H](O)Cn1cc(CN(C)CCCc2ccccc2)nn1 ZINC000073197898 IH Annotated Mild O=C(COCc1c(-c2ccccc2)no[n+]1[O-])Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000073198067 IH Annotated Mild CN1CCN(CCN2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000073198841 IH Annotated Anodyne CN1CCN(CCN2CCC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073198842 IH Annotated Anodyne Cc1ccc(C(=O)Nc2c(NC(=O)CN(C)C)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000073199485 IH Annotated Clean Cc1cccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)CC2)c1 ZINC000073199491 IH Annotated Anodyne O=C(Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073199954 IH Annotated Bother O=C(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073200014 IH Annotated Bother N#Cc1cc(Cl)cc(Oc2c(Cl)ccn(Cc3n[nH]c4nc(N)ccc34)c2=O)c1 ZINC000073200401 IH Annotated Mild Cc1ccc(/N=C(O)/C(C#N)=c2\s/c(=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1 ZINC000073200436 IH Annotated Mild O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C[C@@H]3CCCNC3)C2)c2ccccc21 ZINC000073219334 IH Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C[C@H]3CCCNC3)C2)c2ccccc21 ZINC000073219335 IH Annotated Anodyne O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc2cc3n(c2c1)CCCNC3=O ZINC000073221637 IH Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccno3)ccc2N(C)S(C)(=O)=O)c1 ZINC000073222082 IH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C(C)C)c3c2)c1F ZINC000073222153 IH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1F ZINC000073222154 IH Annotated Anodyne CCN(CC)C(=O)CCC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073223415 IH Annotated Anodyne CN1CCN(C(=O)CN[C@@H]2C[C@@H]2c2ccc(-c3cc(F)ccc3C(F)(F)F)cc2)CC1 ZINC000073240804 IH Annotated Anodyne CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cc(F)ccc3C(F)(F)F)cc2)CC1 ZINC000073240807 IH Annotated Anodyne CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(-c3cc(F)ccc3C(F)(F)F)cc2)CC1 ZINC000073240809 IH Annotated Anodyne CN1CCN(C(=O)CN[C@H]2C[C@H]2c2ccc(-c3cc(F)ccc3C(F)(F)F)cc2)CC1 ZINC000073240812 IH Annotated Anodyne CC1=C(C)C(=O)C(C2=CC(=O)c3ccccc3C2=O)=C(C2=CC(=O)c3ccccc3C2=O)C1=O ZINC000073242984 IH Annotated Mild CC(C)c1cc(CNCCN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)on1 ZINC000073258598 IH Annotated Anodyne FC(F)(F)Oc1cccc(-n2nnc3cc(Cl)c(NCC4CCNCC4)nc32)c1 ZINC000073258713 IH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1NC=O ZINC000073274726 IH Annotated Clean O=C(N1CCCCC1)N1CC(O[C@H](c2ccc3c(c2)OCO3)c2cccnc2Cl)C1 ZINC000073274958 IH Annotated Anodyne O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc3c(c2)OCO3)c2cccnc2Cl)C1 ZINC000073274961 IH Annotated Anodyne CCCCCC(=O)Oc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073277261 IH Annotated Mild Cc1onc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000073280246 IH Annotated Bother O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4c(F)cccc4Cl)nn3)s2)o1 ZINC000073292404 IH Annotated Bother FC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CC5(CCNCC5)C4)nc32)c1 ZINC000073292590 IH Annotated Anodyne COC(=O)C1=CN(C2CCCCC2)[C@@]2(c3ccccc3)c3ccccc3C(=O)OC(=O)[C@H]12 ZINC000073292906 IH Annotated Reactive COC(=O)C1=CN(C2CCCCC2)[C@]2(c3ccccc3)c3ccccc3C(=O)OC(=O)[C@H]12 ZINC000073292908 IH Annotated Reactive CCOC(=O)c1cn(Cc2cn(-c3ccc(F)cc3)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073294745 IH Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccccn2)=CC(=O)C[C@H]1C ZINC000073296560 IH Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2cccnc2)=CC(=O)C[C@H]1C ZINC000073296562 IH Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccncc2)=CC(=O)C[C@H]1C ZINC000073296564 IH Annotated Mild COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])cc2)S3)c1 ZINC000073298033 IH Annotated Bother COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])cc2)S3)c1 ZINC000073298036 IH Annotated Bother C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310785 IH Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310788 IH Annotated Anodyne O=C1NC(=O)/C(=C/c2c(-c3ccc([N+](=O)[O-])cc3)nc3sc(C(F)(F)F)nn23)S1 ZINC000073315083 IH Annotated Bother CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@@]12Cl ZINC000073333144 IH Annotated Mild CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@]12Cl ZINC000073333147 IH Annotated Mild CC(=O)C1=C(C)N(c2ccccc2)[C@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@@]12Cl ZINC000073333149 IH Annotated Mild CC(=O)C1=C(C)N(c2ccccc2)[C@]2(O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C[C@]12Cl ZINC000073333151 IH Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H]1C3=Cc4cc(Cl)ccc4O[C@@]3(C)CC[C@H]1C(C)(C)O2 ZINC000073333190 IH Annotated Anodyne NS(=O)(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F ZINC000073390735 IH Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccccc3)c3ccccc3C(=O)[C@@H]1N2C1CCCCC1 ZINC000073408761 IH Annotated Anodyne COC(=O)CCCCCN1C(=O)N[C@@H](CC2CC2)C(C(=O)OCc2ccccc2)=C1C ZINC000007992696 IH Annotated Anodyne COC(=O)CCCCCN1C(=O)N[C@H](CC2CC2)C(C(=O)OCc2ccccc2)=C1C ZINC000007992697 IH Annotated Anodyne C=CC[C@@H]1C=C[C@H](O/N=C(\C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@H](CO)O1 ZINC000007998404 IH Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OC[C@@H](O)COCc1ccco1)C2 ZINC000007998405 IH Annotated Mild NC(=O)CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(F)cc1 ZINC000078899777 IH Annotated Anodyne NC(=O)/C=C\c1ccc(NC(=O)/C=C2\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 ZINC000079532742 IH Annotated Anodyne Cc1cccc(S(=O)(=O)c2c(N)n(/N=C\c3cccnc3)c3nc4ccccc4nc23)c1 ZINC000008016524 IH Annotated Mild Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1/N=C\c1cccc(O)c1 ZINC000008016725 IH Annotated Mild COc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)cc1 ZINC000008017796 IH Annotated Mild aggregator Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C\c1cccc(O)c1 ZINC000008018128 IH Annotated Mild O=C(NCCF)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018753 IH Annotated Reactive COCCNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018824 IH Annotated Reactive CC(=O)c1ccc(O[C@@H]2C=C[C@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)cc1 ZINC000008020181 IH Annotated Mild CC(=O)c1ccc(O[C@H]2C=C[C@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)cc1 ZINC000008020194 IH Annotated Mild CC(=O)c1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)cc1 ZINC000008020205 IH Annotated Mild CC(=O)c1ccc(O[C@H]2C=C[C@@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)cc1 ZINC000008020213 IH Annotated Mild COC(=O)[C@H]1C(=O)c2ccccc2O[C@@](C(=O)OC)(c2ccccc2)[C@@H]1c1ccccc1 ZINC000008035769 IH Annotated Anodyne CC(C)(O)[C@H]1O[C@@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@@H]4CC[C@]3(O)C2=CC1=O ZINC000008036053 IH Annotated Mild C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000008234222 IH Annotated Anodyne in-vitro C[C@H]([C@H]1NC[C@H](C)C[C@@H]1O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008234361 IH Annotated Anodyne in-vitro O=[N+]([O-])c1ccc(/C=N/Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)o1 ZINC000008453805 IH Annotated Mild C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN(Cc3ccco3)C[C@@H]3CCCO3)C(=O)O[C@@H]1C2 ZINC000082051400 IH Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000082051403 IH Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@@H]3O[C@@]132 ZINC000082051546 IH Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(c6ccccc6F)CC5)[C@H]4C[C@]13O2 ZINC000082051734 IH Annotated Anodyne COc1ccc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@@]2(C)C3=O)cc1 ZINC000082052706 IH Annotated Anodyne COc1ccc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@]2(C)C3=O)cc1 ZINC000082052708 IH Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3[C@H]3O[C@]132 ZINC000082052839 IH Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)N=C2C=CC=CN2C(N)=C1C#N ZINC000082053128 IH Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)N=C2C=CC=CN2C(N)=C1C#N ZINC000082053130 IH Annotated Reactive C=CCN(C)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066315 IH Annotated Mild COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N(C)CCO)n2)cc1 ZINC000082066421 IH Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066452 IH Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)CCO)n2)cc1 ZINC000082066453 IH Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)CCO)n2)cc1 ZINC000082066454 IH Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066771 IH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066784 IH Annotated Anodyne C=CCN(C)c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067116 IH Annotated Mild C=CCN(C)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067132 IH Annotated Mild COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067264 IH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067277 IH Annotated Anodyne COc1cccc(CCNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)c1OC ZINC000082068588 IH Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069358 IH Annotated Anodyne CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069359 IH Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2)cs1 ZINC000082069752 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cs1 ZINC000082070064 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)cs1 ZINC000082070065 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 ZINC000082070402 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 ZINC000082070403 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)cs1 ZINC000082070404 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)cs1 ZINC000082070405 IH Annotated Anodyne CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082070564 IH Annotated Anodyne CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082070565 IH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082070669 IH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082070670 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCc2ccccn2)cs1 ZINC000082070928 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCc2ccccn2)cs1 ZINC000082070929 IH Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000082071448 IH Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000082071450 IH Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082071834 IH Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082071835 IH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000082072717 IH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000082072721 IH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000082072784 IH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000082072787 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082073609 IH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082073610 IH Annotated Anodyne CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082073800 IH Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1coc(-c2ccccc2C)n1 ZINC000082073903 IH Annotated Anodyne CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082074580 IH Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082074582 IH Annotated Mild CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082074619 IH Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082074621 IH Annotated Mild COc1cc(-c2n[nH]c3ccnc(-c4cccc(/C(O)=N/CCO)c4)c23)cc(OC)c1OC ZINC000082079116 IH Annotated Mild O=C(N[C@@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cccs2)n1 ZINC000082081071 IH Annotated Anodyne O=C(N[C@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cccs2)n1 ZINC000082081072 IH Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081488 IH Annotated Mild CCC#CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081489 IH Annotated Mild CCC#CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cc(OC)cc(OC)c3)n2)C1 ZINC000082081544 IH Annotated Mild CCC#CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cc(OC)cc(OC)c3)n2)C1 ZINC000082081545 IH Annotated Mild CCC#CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081590 IH Annotated Mild CCC#CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081591 IH Annotated Mild CNc1nc2cnc(Nc3cccc(N(C)C)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081879 IH Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)cc3C)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081922 IH Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081963 IH Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCCC1=CCCCC1 ZINC000082081966 IH Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCCC1=CCCCC1 ZINC000082081968 IH Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082007 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)N3CCCCC3)C(C)C)cs2)c1 ZINC000082082349 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)N3CCCCC3)C(C)C)cs2)c1 ZINC000082082350 IH Annotated Anodyne COc1ccc(-c2nnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC ZINC000082082359 IH Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCCN1CCCC1 ZINC000082082428 IH Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCCN1CCCC1 ZINC000082082429 IH Annotated Anodyne C/N=C(\O)c1cccc(-c2ccc3ncc(-c4cccc(/C(O)=N/CCN(C)C)c4)n3n2)c1 ZINC000082082568 IH Annotated Mild CCC#CCOC(=O)[C@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082590 IH Annotated Mild CCC#CCOC(=O)[C@@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082591 IH Annotated Mild CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082712 IH Annotated Bother CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082713 IH Annotated Bother C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082082811 IH Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082082813 IH Annotated Bother COc1ccc(-c2nnc3ccc(-c4cccc(/C(O)=N/CCN(C)C)c4)cn23)cc1OC ZINC000082082836 IH Annotated Mild CN(C)CC/N=C(\O)c1cccc(-c2cnc3ccc(-c4cccc(C(=N)O)c4)nn23)c1 ZINC000082082885 IH Annotated Mild COc1ccc(CNc2nc3cnc(Nc4ccc(OC)c(OC)c4)cc3n2C)cc1OC ZINC000082082906 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082082945 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082082948 IH Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082082964 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)NCC3CCCCC3)cs2)c1 ZINC000082082972 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)NCC3CCCCC3)cs2)c1 ZINC000082082974 IH Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 ZINC000082083029 IH Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 ZINC000082083032 IH Annotated Bother CNc1nc2cnc(Nc3ccc(C(N)=O)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082083136 IH Annotated Anodyne CNc1nc2cnc(Nc3ccc(C#N)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083226 IH Annotated Anodyne COc1ccc(Nc2cc3c(cn2)nc(NCc2ccc(OC)c(OC)c2)n3C)c(OC)c1 ZINC000082083390 IH Annotated Anodyne O=C(N[C@H](CO)CSCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084475 IH Annotated Bother O=C(N[C@@H](CO)CSCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084476 IH Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CO)CSCc3ccccc3)cs2)c1 ZINC000082084495 IH Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)CSCc3ccccc3)cs2)c1 ZINC000082084496 IH Annotated Anodyne O=C(N[C@H](CO)CSCc1ccccc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084519 IH Annotated Bother O=C(N[C@@H](CO)CSCc1ccccc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084520 IH Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082084782 IH Annotated Anodyne COc1cccc(CNC(=O)CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000082084819 IH Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085394 IH Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085395 IH Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085446 IH Annotated Bother CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085447 IH Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085480 IH Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085481 IH Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085569 IH Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085570 IH Annotated Anodyne CN(CC(=O)NCCC1=CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085609 IH Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082085645 IH Annotated Anodyne CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1coc(-c2cccs2)n1 ZINC000082085661 IH Annotated Anodyne CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086156 IH Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086157 IH Annotated Mild C=CCN(C)c1nc(NCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082086464 IH Annotated Mild CN(CC(=O)NCCC1=CCCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089345 IH Annotated Bother CCNc1nc(NCCCNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000082118642 IH Annotated Anodyne CC1(C)C=Cc2c(ccc3c2N=C2C(C)(C)[C@@H]4C[C@@]56CCCN5C(=O)[C@]4(C[C@@]23O)N=C6O)O1 ZINC000082123200 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@]3(C(C)(C)O)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000082123366 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(C(C)(C)O)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000082123369 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@]3(O)C(C)(C)OC(=O)CC[C@@]3(C)[C@H]1C2 ZINC000082123410 IH Annotated Anodyne in-man endogenous CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 ZINC000082133006 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 ZINC000082133015 IH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccccc3)n2)CC1 ZINC000082134013 IH Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccccc1 ZINC000082134065 IH Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135024 IH Annotated Mild CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135285 IH Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135307 IH Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135308 IH Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135309 IH Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135310 IH Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135428 IH Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135715 IH Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136063 IH Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136098 IH Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139351 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 ZINC000082139672 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082139911 IH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(F)cc2)n1 ZINC000082141708 IH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 ZINC000082141730 IH Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)NCC3CC3)c(-c3ccco3)n2)cc1OC ZINC000082142419 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082142475 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 ZINC000082142477 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082142478 IH Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)cc1OC ZINC000082142537 IH Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccco3)n2)cc1 ZINC000082142594 IH Annotated Mild COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082143277 IH Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000082144068 IH Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144501 IH Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144502 IH Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144842 IH Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144845 IH Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144847 IH Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc(C)c3)n2)CC1 ZINC000082146199 IH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082147328 IH Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082147332 IH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc(C)c2)n1 ZINC000082147441 IH Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148742 IH Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148745 IH Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148748 IH Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148751 IH Annotated Bother CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148846 IH Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149257 IH Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149260 IH Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149263 IH Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149265 IH Annotated Bother COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149516 IH Annotated Bother COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149519 IH Annotated Bother COCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149520 IH Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149678 IH Annotated Bother COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccccc2)ccc1-n1cnc(C)c1 ZINC000082149734 IH Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2ccccc2)ccc1-n1cnc(C)c1 ZINC000082149737 IH Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150277 IH Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150956 IH Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150958 IH Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccccc1F ZINC000082152133 IH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2F)n1 ZINC000082153193 IH Annotated Anodyne CCN1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000082153459 IH Annotated Anodyne CCN1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000082153465 IH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082154339 IH Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082154341 IH Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082154485 IH Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082154872 IH Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082154873 IH Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082154875 IH Annotated Mild O=C(Nc1cccc(-c2ccc(C(F)(F)F)nc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082156779 IH Annotated Bother O=C(Nc1ccc(-c2ccnc(C(F)(F)F)c2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082157133 IH Annotated Bother Cc1ccccc1-n1c(C)nc2c(OCC(=O)N/N=C\c3ccccc3)cccc2c1=O ZINC000082157892 IH Annotated Reactive Cc1ccccc1-n1c(C)nc2c(OCC(=O)N/N=C\c3ccccc3F)cccc2c1=O ZINC000082157895 IH Annotated Reactive O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN(C[C@@H]3CCCNC3)C2)c2ccccc21 ZINC000082157920 IH Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN(C[C@H]3CCCNC3)C2)c2ccccc21 ZINC000082157921 IH Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 ZINC000082158530 IH Annotated Mild CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082158547 IH Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(C#N)cc1 ZINC000082158627 IH Annotated Mild CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(C#N)cc1 ZINC000082158925 IH Annotated Mild CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 ZINC000082158927 IH Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 ZINC000082158993 IH Annotated Mild CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159371 IH Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(C#N)cc1 ZINC000082159501 IH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(C#N)cc1 ZINC000082159502 IH Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159780 IH Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159781 IH Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F ZINC000082159872 IH Annotated Anodyne COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082159899 IH Annotated Bother CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163884 IH Annotated Bother COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166617 IH Annotated Anodyne COc1cc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166918 IH Annotated Anodyne COc1cc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166923 IH Annotated Anodyne CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167032 IH Annotated Anodyne COc1cc(-c2nc(N3CCOCC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167035 IH Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167310 IH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167311 IH Annotated Anodyne CCCN1CCN(C(=O)c2sc3ncnc(N4CCc5ccccc5C4)c3c2C)CC1 ZINC000082171232 IH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172685 IH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172687 IH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=S)NC)CC(C)(C)O2 ZINC000082172689 IH Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174841 IH Annotated Bother CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000082177671 IH Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177882 IH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCN2CCCCC2)cc1 ZINC000082177890 IH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCc2ccccn2)cc1 ZINC000082177894 IH Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2CCCCOC(=O)C(F)(F)F ZINC000082177933 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178275 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178395 IH Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 ZINC000082178597 IH Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 ZINC000082178598 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179167 IH Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCCN2CCCC2=O)cc1 ZINC000082179203 IH Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082179273 IH Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179456 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179512 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179562 IH Annotated Anodyne CC(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O ZINC000082179649 IH Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179788 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179844 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180186 IH Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2CCCN1CCCC1=O ZINC000082180234 IH Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082180256 IH Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180378 IH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000082180420 IH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000082180423 IH Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180606 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180689 IH Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180904 IH Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082181815 IH Annotated Anodyne O=C(OCCCCn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082184550 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185557 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185567 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185638 IH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCNC(C)=O ZINC000082186381 IH Annotated Clean COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187043 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187152 IH Annotated Anodyne COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187164 IH Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082187428 IH Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187448 IH Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082187759 IH Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082187760 IH Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187861 IH Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187862 IH Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188577 IH Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188578 IH Annotated Anodyne CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCNC(C)=O ZINC000082189404 IH Annotated Anodyne CC(=O)NCCn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189471 IH Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCNC(C)=O ZINC000082189881 IH Annotated Anodyne CC(=O)NCCn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189935 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(O)c2)nc2c(NCc3cccs3)ncnc21 ZINC000082190077 IH Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190098 IH Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190270 IH Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000082193056 IH Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000082193060 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193289 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193292 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193298 IH Annotated Bother CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193301 IH Annotated Bother CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193304 IH Annotated Bother CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193306 IH Annotated Bother CSCC[C@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194032 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194036 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194041 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194046 IH Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195122 IH Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195125 IH Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195127 IH Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195129 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195386 IH Annotated Bother CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCC(F)(F)F ZINC000082195388 IH Annotated Bother CSCC[C@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195495 IH Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NCC(F)(F)F ZINC000082195496 IH Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)cc1[N+](=O)[O-] ZINC000082195691 IH Annotated Bother CC[C@H](C)[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCCOC ZINC000082195818 IH Annotated Bother CCOC(=O)N1CCC(NC(=O)CNc2nc(-c3ccc(Cl)s3)cs2)CC1 ZINC000082195838 IH Annotated Anodyne COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195880 IH Annotated Bother O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195881 IH Annotated Bother O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195882 IH Annotated Bother O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195885 IH Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195886 IH Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1Cl)CC3 ZINC000082195972 IH Annotated Anodyne O=C(c1cccs1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196017 IH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccs1)C3 ZINC000082196028 IH Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC3 ZINC000082196039 IH Annotated Anodyne O=C(c1ccccc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196080 IH Annotated Anodyne O=C(c1ccccc1F)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196087 IH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1)C3 ZINC000082196091 IH Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(Cl)cc1)CC3 ZINC000082196104 IH Annotated Anodyne Cc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)cc1 ZINC000082196150 IH Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1)c1ccccc1 ZINC000082196168 IH Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1)c1ccccc1 ZINC000082196169 IH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCCCC1)C3 ZINC000082196210 IH Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(Cl)c1)CC3 ZINC000082196218 IH Annotated Anodyne O=C(c1ccc(F)cc1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196266 IH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CC(C)(C)C)C3 ZINC000082196281 IH Annotated Anodyne CCOc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196296 IH Annotated Anodyne CCOc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196308 IH Annotated Anodyne CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196351 IH Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196354 IH Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196355 IH Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082197889 IH Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082197890 IH Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082197891 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccco2)C1 ZINC000082198850 IH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccco2)C1 ZINC000082198851 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccco2)C1 ZINC000082198852 IH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccco2)C1 ZINC000082198853 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198886 IH Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198887 IH Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198888 IH Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198889 IH Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082199136 IH Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082199137 IH Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082199138 IH Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082199139 IH Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000082199166 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1Br ZINC000082199167 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1Br ZINC000082199168 IH Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082204420 IH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082204488 IH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204548 IH Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)CCN3)cc1 ZINC000082204578 IH Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082204684 IH Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 ZINC000082204763 IH Annotated Anodyne C=CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204894 IH Annotated Mild O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 ZINC000082204900 IH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 ZINC000082204949 IH Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205034 IH Annotated Anodyne CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205106 IH Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082205246 IH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205295 IH Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205752 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205796 IH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205799 IH Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205825 IH Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205834 IH Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205946 IH Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2)C1CC1 ZINC000082206045 IH Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206047 IH Annotated Mild CC(C)[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206096 IH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206098 IH Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206249 IH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206531 IH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206533 IH Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C(C)C)N2 ZINC000082206584 IH Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206585 IH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206648 IH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206650 IH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206903 IH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206905 IH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207290 IH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207292 IH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207305 IH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207309 IH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207464 IH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207577 IH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207583 IH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207639 IH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207641 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082207736 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082207738 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082207739 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082207742 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208503 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208505 IH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208508 IH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208510 IH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208680 IH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208683 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208715 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208717 IH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208723 IH Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208724 IH Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082208745 IH Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082208746 IH Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082208770 IH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209114 IH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209116 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209147 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209150 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000082209301 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000082209305 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000082209312 IH Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082209606 IH Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082209609 IH Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082209613 IH Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082209615 IH Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209881 IH Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209887 IH Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209892 IH Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209894 IH Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210176 IH Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210179 IH Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210288 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211139 IH Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211142 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211155 IH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211156 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211169 IH Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211171 IH Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082211177 IH Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082211184 IH Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082211191 IH Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082211194 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211390 IH Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211394 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211402 IH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211403 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211539 IH Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211541 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082211687 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082211690 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082211693 IH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082211695 IH Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212578 IH Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212582 IH Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214813 IH Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214814 IH Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214815 IH Annotated Bother CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082216580 IH Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082216582 IH Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216594 IH Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2F)n1 ZINC000082217168 IH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082220000 IH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082220001 IH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082220004 IH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082220006 IH Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082221909 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222870 IH Annotated Anodyne Cc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082222883 IH Annotated Anodyne Cc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(CC(C)C)nn4CC(F)(F)F)C2)c1 ZINC000082222885 IH Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1CC1CCCCC1)C[C@H](Cc1ccccc1)N2 ZINC000082224123 IH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082224433 IH Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082224436 IH Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 ZINC000082227948 IH Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000082227971 IH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082228024 IH Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082228025 IH Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)c(OC)c1 ZINC000082230900 IH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)c(OC)c1 ZINC000082230901 IH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)c(OC)c1 ZINC000082230902 IH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)c(OC)c1 ZINC000082230903 IH 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)cc1 ZINC000082231126 IH 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)cc1 ZINC000082231127 IH 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)cc1 ZINC000082231128 IH 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)cc1 ZINC000082231129 IH Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000082231201 IH Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000082231202 IH 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]2c1ccc2c(c1)OCO2 ZINC000082231255 IH 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]2c1ccc2c(c1)OCO2 ZINC000082231256 IH 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]2c1ccc2c(c1)OCO2 ZINC000082231257 IH 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]2c1ccc2c(c1)OCO2 ZINC000082231258 IH Annotated Mild O=c1[nH]c2ccc(N(CCO)Cc3ccccc3)nc2nc1CSCc1ccccc1 ZINC000082231300 IH Annotated Anodyne C[C@@H]1CCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3)nc2n1 ZINC000082231346 IH Annotated Anodyne C[C@H]1CCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3)nc2n1 ZINC000082231347 IH Annotated Anodyne CC(C)Cc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082231559 IH Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O ZINC000082231779 IH Annotated Anodyne CSCCc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082232183 IH Annotated Anodyne C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3C(C)(C)[C@@H](OCC(=O)NC(=O)NCCO)CC[C@@]23C)C1 ZINC000083923007 IH Annotated Mild in-vitro C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3C(C)(C)[C@@H](OCC(=O)NC(=O)NCCO)CC[C@@]23C)C1 ZINC000083923009 IH Annotated Mild in-vitro C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3C(C)(C)[C@@H](OCC(=O)NC(=O)NCCO)CC[C@@]23C)C1 ZINC000083923010 IH Annotated Mild in-vitro C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@@H](OCC(=O)NC(=O)NCCO)CC[C@@]23C)C1 ZINC000083923012 IH Annotated Mild in-vitro CC(=O)O[C@@H]1[C@@H](/C=C/c2ccccc2)O[C@H](C/C=C/[C@H]2CC=CC(=O)O2)C[C@H]1OC(C)=O ZINC000084154397 IH Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2CO)cc(OC)c1OC ZINC000084154682 IH Annotated Anodyne in-vitro biogenic Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3cccs3)ncnc12 ZINC000084587065 IH Annotated Anodyne N#CC1=C(SCc2cccc(N3CCOCC3)c2)S[C@@H](c2ccc(O)cc2)NC1=O ZINC000084587089 IH Annotated Reactive N#CC1=C(SCc2cccc(N3CCOCC3)c2)S[C@H](c2ccc(O)cc2)NC1=O ZINC000084587093 IH Annotated Reactive COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nnc(C)c(C)n3)nc3ccccc32)cc1 ZINC000084587916 IH Annotated Anodyne COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nnc(C)c(C)n3)nc3ccccc32)cc1 ZINC000084587919 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCC[C@@H](N)C2)nc2c(NCC3CC3)ncnc12 ZINC000084596492 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCC[C@H](N)C2)nc2c(NCC3CC3)ncnc12 ZINC000084596494 IH Annotated Anodyne CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000084602267 IH Annotated Anodyne in-vitro biogenic CCS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 ZINC000084602596 IH Annotated Anodyne COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C(=O)N(Cc1ccccc1)C2 ZINC000084602696 IH Annotated Anodyne N#Cc1ccc(-n2c(=O)n(Cc3nc(-c4ccccn4)no3)c3ccccc32)cc1Cl ZINC000084603583 IH Annotated Mild CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CC[C@@H](O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1 ZINC000084603841 IH Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(OC(F)(F)F)ccc32)ccn1 ZINC000084615678 IH Annotated Anodyne COc1cc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)cc(OC)c1OC ZINC000084616078 IH Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(Br)c(N)c2)c(OC)c1 ZINC000084616148 IH Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 ZINC000084616582 IH Annotated Anodyne CCCCn1c(CCC)c(Br)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O ZINC000084616714 IH Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(Cc3nnc(Nc4ccccc4)s3)c(=O)c12 ZINC000084617189 IH Annotated Anodyne CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)OC(=O)c1ccncc12 ZINC000084620143 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CCC3)ncnc12 ZINC000084633260 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCCC3CC3)ncnc12 ZINC000084633264 IH Annotated Anodyne Nc1cc(Cl)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1 ZINC000084633838 IH Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(S(N)(=O)=O)cc1C ZINC000084634018 IH Annotated Clean COc1cc(-c2cn([C@H]3CCCCN(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084634935 IH Annotated Anodyne CO[C@]1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084651866 IH Annotated Anodyne CO[C@@]1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084651867 IH Annotated Anodyne F[C@@]1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084651870 IH Annotated Anodyne F[C@]1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084651871 IH Annotated Anodyne N#Cc1ncn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c1C#N ZINC000084652075 IH Annotated Mild O=C1NCc2ccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cc21 ZINC000084652524 IH Annotated Anodyne CS(=O)(=O)N1CCC(c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3N)n2)CC1 ZINC000084653451 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCN[C@H](C)C2)nc2c(NCC3CC3)ncnc12 ZINC000084653866 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCN[C@@H](C)C2)nc2c(NCC3CC3)ncnc12 ZINC000084653867 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNC[C@H]2C)nc2c(NCC3CC3)ncnc12 ZINC000084653868 IH Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(C#N)cc1 ZINC000084668494 IH Annotated Mild Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(Cl)c4)c3)c12 ZINC000084668509 IH Annotated Anodyne COC(=O)c1cc(Br)cc(CSc2nc3ccccc3n2CC(=O)O)c1 ZINC000084668625 IH Annotated Anodyne CNc1ccc(-c2cc(C3CCN(S(C)(=O)=O)CC3)nn2-c2ccccc2OC)cc1 ZINC000084668817 IH Annotated Anodyne CCn1cc(-c2c(Cc3cccc4ccccc34)cc(=O)n3c2SC[C@H]3C(=O)O)nn1 ZINC000084668933 IH Annotated Anodyne Cc1cc(C)cc(Cc2c(Br)c(N)nc(=O)n2COCc2ccccc2)c1 ZINC000084669724 IH Annotated Anodyne O=C1NCc2cccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)c21 ZINC000084669887 IH Annotated Anodyne O=[N+]([O-])c1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000084670911 IH Annotated Mild O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Cl)cc3)n2)cc1 ZINC000084671391 IH Annotated Mild Cc1cc(C)cc(Cc2c(Br)c(=O)[nH]c(=O)n2COCc2ccccc2)c1 ZINC000084671445 IH Annotated Anodyne Cc1cnc(N2CCN[C@@H](Cc3ccccc3)C2)nc1Oc1ccc(-n2ccnc2)cc1 ZINC000084672327 IH Annotated Anodyne CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-c5cccnc5)c4)[nH]c3c2)CC1 ZINC000084672343 IH Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNCC4CC4)c3)nc2)cn1 ZINC000084687608 IH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccccc5C#N)c4[C@]2(CCN3C)CC1=O ZINC000084688151 IH Annotated Mild O=C(N[C@@H]1COc2cccc(-c3cncnc3)c2C1)c1ccc(OCCC(F)(F)F)nc1 ZINC000084689098 IH Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000084690091 IH Annotated Bother O=C(NN1C(=O)CS[C@H]1c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000084690092 IH Annotated Bother CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(F)c3)n2CCN1C(=O)CN ZINC000084690502 IH Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cccc(C#N)c5)c4[C@]2(CCN3C)CC1=O ZINC000084704081 IH Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccc(OC)cc5)c4[C@]2(CCN3C)CC1=O ZINC000084704083 IH Annotated Mild Cc1cc(-c2c[nH]c(=O)c(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1 ZINC000084704150 IH Annotated Anodyne COCON1C(=O)/C(=C/c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O ZINC000084706750 IH Annotated Anodyne COCON1C(=O)/C(=C/c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O ZINC000084706753 IH Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc(S)n2/N=C/c2c(O)on[n+]2-c2ccccc2)cc1 ZINC000084708511 IH Annotated Mild CC(C)Cc1ccc([C@H](C)c2nnc(S)n2/N=C/c2c(O)on[n+]2-c2ccccc2)cc1 ZINC000084708518 IH Annotated Mild Cc1ccc(Cn2ccnc2/C=N/Nc2nc(NCCCN(C)C)c3ccccc3n2)cc1 ZINC000084709033 IH Annotated Mild CN(C)CCCNc1nc(N/N=C/c2nccn2Cc2ccc(F)cc2)nc2ccccc12 ZINC000084709036 IH Annotated Mild Cc1ccc(Cn2ccnc2/C=N/Nc2nc(NCCN(C)C)c3ccccc3n2)cc1 ZINC000084709885 IH Annotated Mild Cc1ccc2nc(C)n(NC(=O)c3sc(=S)n(Cc4ccccc4)c3N)c(=O)c2c1 ZINC000084709950 IH Annotated Anodyne O=[S@]1O[C@H](c2ccc(F)cc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000084710675 IH Annotated Mild O=C(O)c1ccc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)cc1 ZINC000084710798 IH Annotated Bother COC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)c3ccc(Br)cn3c1C2=O ZINC000084711330 IH Annotated Clean Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-n3cccc3)nc1)c1ccccc12 ZINC000084711537 IH Annotated Anodyne CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccn2)C1(C)C)c1ccccc1 ZINC000084712798 IH Annotated Anodyne CC(C)[C@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(=O)c1ccc2nonc2c1 ZINC000084713798 IH Annotated Anodyne CC(C)[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(=O)c1ccc2nonc2c1 ZINC000084713800 IH Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000084713940 IH Annotated Anodyne O=C(O)c1ccc(Cn2cc(-c3ccc(-c4ccccc4C(=O)O)cc3)nn2)c([N+](=O)[O-])c1 ZINC000084727866 IH Annotated Bother COCON1C(=O)/C(=C/c2ccccc2F)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O ZINC000084728012 IH Annotated Anodyne Cc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cn1 ZINC000084728202 IH Annotated Anodyne Cc1cnc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cn1 ZINC000084728210 IH Annotated Anodyne CCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084728242 IH Annotated Mild CCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084728258 IH Annotated Mild O=C(O)CCN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S ZINC000084728658 IH Annotated Clean COc1ccc([C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000084728740 IH Annotated Clean COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000084728745 IH Annotated Clean COCON1C(=O)/C(=C/c2cccc(F)c2)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O ZINC000084729240 IH Annotated Anodyne O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](C[C@H]1NCc2ccccc21)C(=O)O ZINC000084730497 IH Annotated Anodyne O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](C[C@@H]1NCc2ccccc21)C(=O)O ZINC000084730501 IH Annotated Anodyne O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H](C[C@H]1NCc2ccccc21)C(=O)O ZINC000084730505 IH Annotated Anodyne O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H](C[C@@H]1NCc2ccccc21)C(=O)O ZINC000084730510 IH Annotated Anodyne Cn1c(Br)c(Br)c2c1C(=O)NCC/C2=N\OCc1ccccc1 ZINC000084731105 IH Annotated Mild CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084732506 IH Annotated Anodyne Cc1c(C(N)=O)sc2c1c(=O)n(Cc1ccccc1)c1nnc(-c3ccccc3Cl)n21 ZINC000084732864 IH Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNC4CCC4)c3)nc2)cn1 ZINC000084739334 IH Annotated Anodyne CN(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084739928 IH Annotated Anodyne Cn1c(Br)c(Br)c2c1C(=O)NCC/C2=N\OCC1CCCCC1 ZINC000084740886 IH Annotated Mild O=C1NCC/C(=N\OCc2ccccc2)c2c1[nH]c(Br)c2Br ZINC000084741042 IH Annotated Mild C=Cc1ccc(C(=O)O[C@@H]2CN3Cc4cc5c(cc4[C@]24C=C[C@@H](OC)C[C@H]34)OCO5)cc1 ZINC000084741258 IH Annotated Anodyne CC(=O)OCCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000084741395 IH Annotated Anodyne CC(=O)O[C@H](C)OC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000084741702 IH Annotated Anodyne CC(=O)O[C@@H](C)OC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000084741704 IH Annotated Anodyne Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1 ZINC000084741933 IH Annotated Anodyne CSc1ccccc1Nc1nc(N2CCC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 ZINC000084756952 IH Annotated Anodyne COc1cc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C2=O)[C@@H]45)cc(OC)c1OC ZINC000084758171 IH Annotated Anodyne COc1cc(O)c(C(=O)OCc2cc(=O)c(O)co2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000084758451 IH Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3cccs3)CC2=O)CC1 ZINC000008579771 IH Annotated Mild CC[C@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2nc1O ZINC000008580138 IH Annotated Anodyne C=CC[C@H]1C=C[C@@H](O/N=C(\C)CCN2CCc3nc(CC)c(CC)cc3C2)[C@@H](CO)O1 ZINC000008582402 IH Annotated Mild Cc1cc(C)c2nc(O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000008582475 IH Annotated Anodyne Cc1cc(C)c2nc(O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000008582476 IH Annotated Anodyne COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)c(O)nc2c1 ZINC000008582486 IH Annotated Anodyne CC[C@@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2nc1O ZINC000008582493 IH Annotated Anodyne CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1 ZINC000008582619 IH Annotated Anodyne CCOc1ccc2nc(O)c([C@@H](c3nnnn3Cc3ccco3)N3CCC[C@H](C)C3)cc2c1 ZINC000008582685 IH Annotated Anodyne CCOc1ccc2nc(O)c([C@H](c3nnnn3Cc3ccco3)N3CCC[C@H](C)C3)cc2c1 ZINC000008582686 IH Annotated Anodyne Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)C[C@H]3CCCO3)c(O)nc2c1 ZINC000008582813 IH Annotated Anodyne COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000008584103 IH Annotated Anodyne COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000008584104 IH Annotated Anodyne Cc1cc(C)c2nc(O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000008586196 IH Annotated Anodyne COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000008586212 IH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1 ZINC000008586225 IH Annotated Anodyne Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)C[C@@H]3CCCO3)c(O)nc2c1 ZINC000008586325 IH Annotated Anodyne COc1ccc(NC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)c(OC)c1 ZINC000008588978 IH Annotated Anodyne COc1ccc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)c(OC)c1 ZINC000008588979 IH Annotated Anodyne Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@@H]4C3=O)cc2)c(Cl)c1 ZINC000008590282 IH Annotated Anodyne Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)c(Cl)c1 ZINC000008590283 IH Annotated Anodyne CCN(Cc1ccccc1)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000008591270 IH Annotated Anodyne COc1ccc(CCNC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1OC ZINC000008595047 IH Annotated Anodyne COc1ccc(-n2nc(C(=O)N3CCC[C@@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595507 IH Annotated Anodyne COc1ccc(-n2nc(C(=O)N3CCC[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595509 IH Annotated Anodyne COc1ccc(OC)c(CNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)c1 ZINC000008598027 IH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)c(OC)c1 ZINC000008599805 IH Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccc(C)cc4)c32)cc1 ZINC000008604255 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000008604572 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000008604574 IH Annotated Anodyne CC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(F)c4)c32)cc1 ZINC000008604636 IH Annotated Anodyne Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c2c1c(C)nn2-c1cccc(F)c1 ZINC000008604730 IH Annotated Anodyne COc1ccc(CNC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1 ZINC000008604983 IH Annotated Anodyne COc1ccc(CNC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1 ZINC000008604984 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@H](C)n1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 ZINC000008605212 IH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H](C)n1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 ZINC000008605214 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000008605360 IH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000008605361 IH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)c1cccc(Cl)c1)n2C ZINC000008608089 IH Annotated Anodyne Cn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)NCc2ccccc2)c2ccccc21 ZINC000008609750 IH Annotated Anodyne CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccc(C)cc4)cc3N)cc2c1C ZINC000008654521 IH Annotated Anodyne aggregator C=Cc1ccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)ccc2=O)cc1 ZINC000008654840 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC/C(O)=N/C(C)(C)C)c21 ZINC000008661255 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000008661405 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000008661406 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000008661407 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000008661408 IH Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccn1)Nc1ccc(F)cc1 ZINC000008661841 IH Annotated Anodyne COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)c(O)nc2c1 ZINC000008665018 IH Annotated Anodyne CN(C)C=NC(=O)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000008665037 IH Annotated Anodyne COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)c(O)nc2cc1OC ZINC000008671119 IH Annotated Anodyne O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000008671510 IH Annotated Anodyne O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000008671511 IH Annotated Anodyne C=CCOC(=O)N[C@H](/C(C(=O)OC)=C(/C)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000008674027 IH Annotated Mild CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 ZINC000008677110 IH Annotated Anodyne COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)c(O)nc2cc1OC ZINC000008677361 IH Annotated Anodyne CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 ZINC000008678331 IH Annotated Anodyne CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3cccnc3)nn12 ZINC000008680395 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000008681827 IH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@H]12 ZINC000008681852 IH Annotated Mild COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1cccs1 ZINC000008682083 IH Annotated Anodyne COC(=O)[C@H]1O[C@@H](c2cc(OC)c(C)c(OC)c2OCc2ccccc2)[C@H](C)[C@@H]2O[C@]12C ZINC000008682211 IH Annotated Anodyne O=C(NCc1cccc(F)c1)c1ccc(N2C(=O)Cn3c(cc4sccc43)C2=O)cc1 ZINC000008682835 IH Annotated Anodyne COc1ccc(C2=CSC3=C(C(=O)c4cccc(S(=O)(=O)N(C)C)c4)CCN23)cc1 ZINC000008685767 IH Annotated Mild CCOc1cc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc(Cl)c1O ZINC000008686240 IH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(C#N)cc4)[nH]c3c2)cc1 ZINC000008686310 IH Annotated Mild aggregator Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008687752 IH Annotated Clean aggregator Cc1ccc(C(=O)N2N[C@@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000008757083 IH Annotated Anodyne N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2F)[C@H]2CN(Cc3ccccc3)CC=C12 ZINC000008763915 IH Annotated Reactive Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1 ZINC000008772980 IH Annotated Anodyne Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1 ZINC000008772981 IH Annotated Anodyne C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860678 IH Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860679 IH Annotated Mild C[C@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860708 IH Annotated Mild C[C@@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860709 IH Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000008860712 IH Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000008860713 IH Annotated Mild COc1cc(SC)ccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000008883161 IH Annotated Mild Cc1ccc(CNC(=O)c2ccc(C/N=c3\c(O)c(O)\c3=N/C3CCCCC3)cc2)cc1 ZINC000008912602 IH Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)cc1 ZINC000008913786 IH Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NC(C)(C)C)CC1 ZINC000008933638 IH Annotated Anodyne C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000085490224 IH Annotated Anodyne in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](CCCCCCCCCCCCCO)Nc1[cH-]ccn1 ZINC000085510339 IH Annotated Mild in-vitro biogenic CNC[C@H](/C=C/C(=O)O)CCC[C@H](CC[C@H](N)CC[C@@H](C)C=O)Cc1ccc(O)cc1 ZINC000085510426 IH Annotated Mild in-vitro biogenic CNC[C@H](/C=C/C(=O)O)CCC[C@H](CC[C@H](O)CC[C@@H](C)C=O)Cc1ccc(O)cc1 ZINC000085510461 IH Annotated Mild in-vitro biogenic C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000085510804 IH Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000085510808 IH Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C([C@H](O)[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@H]1CC5 ZINC000085510824 IH Annotated Anodyne in-vitro biogenic CC[C@@]1(O)CC[C@H]2[C@H]3C=C[C@]4(CCC[C@@H]1N24)[C@@H]1C(=C3)O/C(=C2/OC(=O)C(C)=C2OC)[C@H]1C ZINC000085532557 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@H]1[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000085541780 IH Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)[C@@H](O)CC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542477 IH Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@H](N=C(N)N)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549546 IH Annotated Reactive in-vitro biogenic CC1(C)C=Cc2c(ccc3c2NC(=O)[C@]32C[C@]34CN5CCCC[C@@]5(C[C@H]3C2(C)C)C(=O)N4)O1 ZINC000085551427 IH Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 ZINC000085558181 IH Annotated Anodyne CCCC[C@H](CNCC)COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592726 IH Annotated Clean in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C1CCCC1)C3 ZINC000085594165 IH Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1C1CCCC1)C3 ZINC000085594167 IH Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2ccnc(N)c2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594682 IH Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2ccc(N)nc2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594690 IH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(OC)c3c(c(CO)c2O1)O[C@H](C(C)(C)O)C3 ZINC000085595009 IH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C(C=O)/C(=C\CC(C)C)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595012 IH Annotated Reactive in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595026 IH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OCCCO)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595030 IH Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C1CCCC1 ZINC000085595321 IH Annotated Anodyne in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)cc3)O2)c1Cc1cnc[cH-]1 ZINC000085596400 IH Annotated Clean in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)CNC)[C@@H]1CCc2cc(O)c(OC)cc2C1)OC(C)=O ZINC000085596856 IH Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H](O)C[C@H](C)CCCO)c1-c1ccc(CN)cc1 ZINC000085597476 IH Annotated Anodyne in-vitro biogenic CC[C@H]1C#CC[C@H](Cc2ccc(O)c(OC3CCNCC3)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628349 IH Annotated Mild in-vitro biogenic CC(=O)O[C@H](CCc1ccc(O)c(OC2CCNCC2)c1)C[C@@H](O)C1CCC(C)CC1 ZINC000085628393 IH Annotated Anodyne in-vitro biogenic CCCNC[C@@]1(CC)C#CC[C@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628478 IH Annotated Mild in-vitro biogenic CC[C@@]1(CCCO)C#CC[C@@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628482 IH Annotated Mild in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCCCC[C@H](O)C2)OC(C)=O)ccc1O ZINC000085629508 IH Annotated Anodyne in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1)C1CCNCC1 ZINC000085630739 IH Annotated Mild in-vitro biogenic Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@]12O ZINC000085635058 IH Annotated Reactive in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@]12O ZINC000085635060 IH Annotated Reactive in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@]12O ZINC000085635063 IH Annotated Reactive in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@]12O ZINC000085635064 IH Annotated Reactive in-man C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000085648657 IH Annotated Anodyne in-vitro biogenic C=C[C@]1(C)C[C@H]([C@H](C)C(=O)[C@H](O)C=C(C)C)C[C@]12C(=O)Oc1cc(OC)ccc1C2=O ZINC000085661496 IH Annotated Mild CCCCCCCc1cc(O)cc2c1C(=O)C[C@@](O)(Cc1cc(O)c(O)cc1C(=O)O)O2 ZINC000085810486 IH Annotated Mild COC1=C(c2ccc(O)cc2)C(=O)C(OC(=O)c2ccccc2)=C(c2ccc(O)cc2)C1=O ZINC000085970028 IH Annotated Mild in-vitro biogenic CC(C)=CC(=O)C/C=C(\C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989638 IH Annotated Mild O=C1CC=C(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)C2=C1C=C(CO)C2 ZINC000087723174 IH Annotated Mild N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)cc1 ZINC000088260746 IH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)cc1 ZINC000088260747 IH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)cc1 ZINC000088260748 IH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)cc1 ZINC000088260749 IH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)c(F)c1)[C@H](N)CC2 ZINC000088260900 IH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)c(F)c1)[C@H](N)CC2 ZINC000088260901 IH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)c(F)c1)[C@@H](N)CC2 ZINC000088260902 IH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)c(F)c1)[C@@H](N)CC2 ZINC000088260903 IH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000088261147 IH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000088261148 IH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000088261149 IH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000088261150 IH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1Cl ZINC000088261157 IH Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1Cl ZINC000088261158 IH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1Cl ZINC000088261159 IH Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1Cl ZINC000088261160 IH Annotated Anodyne N[C@H]1CCc2ccc(CCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000088261177 IH Annotated Anodyne N[C@H]1CCc2ccc(CCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000088261178 IH Annotated Anodyne N[C@@H]1CCc2ccc(CCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000088261179 IH Annotated Anodyne N[C@@H]1CCc2ccc(CCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000088261180 IH Annotated Anodyne CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(C#N)cc2F)CC1 ZINC000088385467 IH Annotated Mild CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(C#N)c(F)c2)CC1 ZINC000088385479 IH Annotated Mild CC[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 ZINC000089857734 IH Annotated Anodyne C[C@H](NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21)c1ccc2c(c1)OCCO2 ZINC000009114947 IH Annotated Anodyne C[C@@H](NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21)c1ccc2c(c1)OCCO2 ZINC000009114948 IH Annotated Anodyne CCCN1CCN(C(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000009115571 IH Annotated Anodyne CCCN1CCN(C(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000009115572 IH Annotated Anodyne CCn1nc(C)c2c(C(F)(F)C(F)(F)F)cc(=O)n(CC(=O)NC3CCCCC3)c21 ZINC000009115942 IH Annotated Anodyne COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)Nc5cc(C)on5)C4)sc3n2)cc1 ZINC000009117457 IH Annotated Anodyne COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5cc(C)on5)C4)sc3n2)cc1 ZINC000009117458 IH Annotated Anodyne CN(CCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21)C1CCCCC1 ZINC000009228911 IH Annotated Anodyne CCOc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1OC ZINC000009268629 IH Annotated Anodyne Cc1c(O[C@@H](C)C(=O)NCC2CCC(C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000009344919 IH Annotated Anodyne Cc1c(O[C@H](C)C(=O)NCC2CCC(C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000009344920 IH Annotated Anodyne CCOc1ccc(NC(=O)COc2cccc3c2CCN(Cc2cccnc2)C3=O)cc1 ZINC000009393138 IH Annotated Anodyne Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(Cl)ccc21 ZINC000009404061 IH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3n2CCCCC3)cc1 ZINC000009406742 IH Annotated Anodyne O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccccc1Br ZINC000009413493 IH Annotated Anodyne O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccccc1Br ZINC000009413496 IH Annotated Anodyne O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1cccc(Br)c1 ZINC000009413522 IH Annotated Anodyne O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1cccc(Br)c1 ZINC000009413525 IH Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccnc4ccccc34)c21 ZINC000009434244 IH Annotated Anodyne Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCCC3=CCCCC3)cc1CC2 ZINC000009441703 IH Annotated Anodyne Cc1cc(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)n1CC(F)(F)F ZINC000009493126 IH Annotated Anodyne C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCC1CCC(C(=O)O)CC1 ZINC000009501754 IH Annotated Anodyne C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCC1CCC(C(=O)O)CC1 ZINC000009501759 IH Annotated Anodyne COc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)ccc1OCC(C)C ZINC000009536429 IH Annotated Anodyne O=C(N/N=C/c1cccnc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000009562092 IH Annotated Reactive C=CCN(C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2ccccc21)c1ccccc1 ZINC000009615961 IH Annotated Mild Cc1nc2nc(SCC(=O)N3CCCC3)nn2c(C)c1Cc1c(F)cccc1Cl ZINC000009673017 IH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(C)c3cccc(C)c3)c21 ZINC000009673101 IH Annotated Anodyne CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000009834396 IH Annotated Anodyne CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C ZINC000009837796 IH Annotated Anodyne O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2sc3ccccc3c21)c1ccc(F)cc1 ZINC000009860755 IH Annotated Anodyne Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NC[C@@H]3CCCO3)n2n1 ZINC000009882070 IH Annotated Anodyne Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NC[C@H]3CCCO3)n2n1 ZINC000009882071 IH Annotated Anodyne N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000009993479 IH Annotated Reactive N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000009993481 IH Annotated Reactive N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000009993482 IH Annotated Reactive N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000009993485 IH Annotated Reactive C[C@@H]1CC[C@H]2N(C1)C[C@@H]1[C@H]3C[C@H]4[C@@H](CC(=O)[C@@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000095098765 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H]3C[C@H]4[C@@H](CC(=O)[C@@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000095098766 IH Annotated Anodyne in-vitro biogenic COc1ccc([C@@H]2C/C(=N\N=C3/NC(=O)CS3)[C@H](C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000095536791 IH Annotated Mild COc1ccc([C@@H]2C/C(=N\N=C3/NC(=O)CS3)[C@@H](C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000095536792 IH Annotated Mild COc1ccc([C@@H]2C/C(=N\N=C3/NC(=O)CS3)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000095536793 IH Annotated Mild COc1ccc([C@@H]2C/C(=N\N=C3/NC(=O)CS3)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000095536794 IH Annotated Mild CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(I)cc34)[C@@H]21 ZINC000095552252 IH Annotated Clean CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(I)cc34)[C@H]21 ZINC000095552253 IH Annotated Clean CN1c2ccc(I)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 ZINC000095553445 IH Annotated Clean CN1c2ccc(I)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 ZINC000095553446 IH Annotated Clean CC(=O)Oc1ccccc1C(=O)NC[C@H](C)[C@H]1CCC2=Cc3c(cc(C)oc3=O)O[C@H]2C1 ZINC000095554126 IH Annotated Anodyne CC(=O)Oc1ccccc1C(=O)NC[C@@H](C)[C@H]1CCC2=Cc3c(cc(C)oc3=O)O[C@H]2C1 ZINC000095554127 IH Annotated Anodyne O=C(O)CN1C(=O)[C@@H](n2nc(-c3ccccc3)cc2-c2ccccc2O)c2ccccc21 ZINC000095554884 IH Annotated Anodyne Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3cc(CO)cnc23)ccc1=O ZINC000095555476 IH Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(OCCO)cc3)C[C@@H]1O2 ZINC000095555966 IH Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(OCCO)cc3)C[C@@H]1O2 ZINC000095555967 IH Annotated Anodyne C[C@@H](N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1 ZINC000095556410 IH Annotated Anodyne C[C@H](N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1 ZINC000095556455 IH Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(O)c([N+](=O)[O-])c3)C[C@@H]1O2 ZINC000095556597 IH Annotated Bother Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(O)c([N+](=O)[O-])c3)C[C@@H]1O2 ZINC000095556598 IH Annotated Bother O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095556751 IH Annotated Bother Cc1c(-c2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(=O)O ZINC000095558484 IH Annotated Anodyne CN1CC[C@]23Cc4nc5cccc(C(F)(F)F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 ZINC000095558753 IH Annotated Anodyne O=c1c2ccccc2n(Cc2ccccc2-c2ccccc2)c(=O)n1CC1CCNCC1 ZINC000095559223 IH Annotated Anodyne Cc1ncc(-c2ccccc2CCNC(=O)c2ccc(CNCCC(F)(F)F)nc2)cn1 ZINC000095560088 IH Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(NCC)cc3)cc21 ZINC000095561190 IH Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(NCC)cc3)cc21 ZINC000095561191 IH Annotated Mild COc1cc([C@H]2O[C@@]3(c4cc(OC)c5c(c4)OCO5)O[C@@]3(C)[C@@H]2C)cc(OC)c1OC ZINC000095561293 IH Annotated Anodyne N#CC1(n2cc([C@@H](NC(=O)c3ccc(NC(=O)C4CC4)cc3)C3CCCCC3)nn2)CC1 ZINC000095561317 IH Annotated Mild CN1CC[C@]23Cc4nc5ccc(C(F)(F)F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 ZINC000095561603 IH Annotated Anodyne Cc1ncc(-c2ccccc2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1 ZINC000095561636 IH Annotated Anodyne C[N+](C)(C)[C@H](CCOc1c(Cl)cc(Br)cc1Br)C(=O)O ZINC000095562180 IH Annotated Mild O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1C(F)(F)F ZINC000095562342 IH Annotated Anodyne COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2 ZINC000095562398 IH Annotated Anodyne CCc1cnc(N2CCC(n3ncc(COc4ccc(C#N)cc4F)c3C#N)CC2)nc1 ZINC000095562770 IH Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(NCC)c3)cc21 ZINC000095563556 IH Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(NCC)c3)cc21 ZINC000095563557 IH Annotated Mild C[C@]12CC[C@H]([N+](C)(C)C)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 ZINC000095563598 IH Annotated Bother NC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)cnc32)c1 ZINC000095563695 IH Annotated Anodyne CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000095564070 IH Annotated Anodyne Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1-c1nnn[nH]1 ZINC000095564117 IH Annotated Anodyne CC(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(N(C)CCc3ccccn3)c2C1 ZINC000095564195 IH Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(C)c3nc(Cl)ccc32)cc1NC1CCN(C)CC1 ZINC000095564767 IH Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1 ZINC000095565086 IH Annotated Anodyne Cc1cccc2nc(-c3ccccc3Cl)c(Cn3nc(C#N)c4c(N)ncnc43)nc12 ZINC000095565914 IH Annotated Mild Cc1nn(S(=O)(=O)c2ccc(F)c(NC3CCN(C)CC3)c2)c2ccc(Cl)cc12 ZINC000095565999 IH Annotated Anodyne Cc1ccnc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000095566138 IH Annotated Bother O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccco4)nn23)CC1 ZINC000095566473 IH Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(CCCCCCCC)C1=O ZINC000095566640 IH Annotated Mild CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095566988 IH Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095566989 IH Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095567138 IH Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095567139 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@H](CO)N3C)cc1 ZINC000095567369 IH Annotated Anodyne O=C(Nc1ccccc1)OC[C@@H]1C=CS(=O)(=O)N1Cc1ccc(Br)cc1 ZINC000095567480 IH Annotated Anodyne CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095567482 IH Annotated Anodyne CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095567483 IH Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(CCCCCCCC)C1=O ZINC000095567629 IH Annotated Mild c1ccc2c([C@@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCCCC3)ccnc2c1 ZINC000095568066 IH Annotated Anodyne c1ccc2c([C@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCCCC3)ccnc2c1 ZINC000095568067 IH Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000095568171 IH Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000095568172 IH Annotated Anodyne COc1ccccc1-c1noc2c1C(=O)N(Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000095568226 IH Annotated Anodyne COc1cccc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000095568522 IH Annotated Bother CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C(C)C)C(=O)c1ccccc12 ZINC000095569055 IH Annotated Anodyne CSCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569121 IH Annotated Anodyne CSCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569122 IH Annotated Anodyne Cc1ccc(SC2=C[C@@]3(O)CC[C@@H](O)[C@@](Sc4ccc(C)cc4)(C2=O)[C@H]3O)cc1 ZINC000095569506 IH Annotated Mild CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095569660 IH Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095569661 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569859 IH Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569860 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H](CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000095570585 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000095570586 IH Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000095570592 IH Annotated Clean CCc1c(C)nc2cc(-c3cccc(OC)c3)nn2c1N1CCN(C(=O)c2ccoc2)CC1 ZINC000095570614 IH Annotated Anodyne O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2cc(OC[C@@H](O)CO)ccc21 ZINC000095572398 IH Annotated Anodyne O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2cc(OC[C@H](O)CO)ccc21 ZINC000095572450 IH Annotated Anodyne COc1c2cc(c(O)c1OC)CCCC[C@@H](OS(=O)(=O)O)CCc1ccc(O)c-2c1 ZINC000095572511 IH Annotated Anodyne CCCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095572680 IH Annotated Anodyne COc1cc(C(=O)c2c(OC)cnn([C@@H](C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1 ZINC000095573573 IH Annotated Anodyne COc1cc(C(=O)c2c(OC)cnn([C@H](C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1 ZINC000095573574 IH Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 ZINC000095574461 IH Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1 ZINC000095574514 IH Annotated Anodyne Cc1c(C2=C[C@H](c3ccc(Br)cc3)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095574700 IH Annotated Anodyne Cc1c(C2=C[C@@H](c3ccc(Br)cc3)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095574701 IH Annotated Anodyne COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(C(=O)NO)cc1 ZINC000095574997 IH Annotated Anodyne O=c1nc(NCc2ccc3c(c2)OCCO3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000095575286 IH Annotated Bother O=C(NN1CC(=O)N(Cc2ccncc2)C1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000095576206 IH Annotated Anodyne COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CC1OCCO1)CC3 ZINC000095576856 IH Annotated Bother Cc1c(C2=C[C@H](c3cccc(Br)c3)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095577151 IH Annotated Anodyne Cc1c(C2=C[C@@H](c3cccc(Br)c3)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095577152 IH Annotated Anodyne Cc1c(C2=C[C@H](c3ccccc3Br)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095577251 IH Annotated Anodyne Cc1c(C2=C[C@@H](c3ccccc3Br)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095577252 IH Annotated Anodyne CCCCNC(=O)N1Cc2c(NC(=O)Cc3ccccc3)nn(C(=O)c3ccccc3)c2C1 ZINC000095577321 IH Annotated Anodyne O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2c(OC[C@H](O)CO)cccc21 ZINC000095577711 IH Annotated Anodyne O=C(NN1CC(=O)N(Cc2cccnc2)C1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000095578480 IH Annotated Anodyne CCCCCCCCCCCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000095578943 IH Annotated Mild CCCCNC(=O)N1Cc2c(NC(=O)c3ccc(C)cc3)nn(C(=O)c3ccccc3)c2C1 ZINC000095579023 IH Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ncc32)cc1NC1CCN(C)CC1 ZINC000095579220 IH Annotated Anodyne O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1 ZINC000095579554 IH Annotated Anodyne O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1 ZINC000095579555 IH Annotated Anodyne C[C@H]1C[C@]2(CCN1Cc1ccc3[nH]ccc3c1)CN(C)S(=O)(=O)N2c1cccc(F)c1 ZINC000095579686 IH Annotated Anodyne COc1ccc(S(=O)(=O)n2nc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1 ZINC000095579933 IH Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F ZINC000095580037 IH Annotated Anodyne N#Cc1cnn(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c1 ZINC000095580986 IH Annotated Mild N#C[C@@H](C(=O)NCCc1ccc(N)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095581079 IH Annotated Mild N#C[C@H](C(=O)NCCc1ccc(N)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095581080 IH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(F)cn2)cc1 ZINC000095582125 IH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1-c1nnco1 ZINC000095582314 IH Annotated Mild Cn1ccnc1NS(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)c(C#N)c1 ZINC000095582343 IH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1nnco1 ZINC000095582467 IH Annotated Mild NC(=O)c1ccc2c(c1)OCCc1cc(-c3n[nH]c(=O)n3-c3ccccc3Cl)sc1-2 ZINC000095583103 IH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1cn[nH]c1N ZINC000095583124 IH Annotated Mild CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3CN1CCN(Cc2ccccc2)CC1 ZINC000095583297 IH Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3cc(Cl)c(C(F)(F)F)n3)CC2)ccc1Cl ZINC000095583639 IH Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ccncn2)cc1F ZINC000095584173 IH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1-c1cocn1 ZINC000095584181 IH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(-n2ccnc2)cc1 ZINC000095584288 IH Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(C)C)c(Cl)c3C)CC2)ccc1Cl ZINC000095584479 IH Annotated Anodyne NC(=O)c1cnc2c(c1)OCCc1cc(-c3n[nH]nc3-c3ccc(F)cc3F)sc1-2 ZINC000095584944 IH Annotated Anodyne Cc1cc(O)c(C(=O)CCCCCCC(=O)Nc2c3sscc-3[nH]c2=O)c(=O)o1 ZINC000095585372 IH Annotated Anodyne CN(C)c1ccc(CNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095585486 IH Annotated Mild CN(C)c1ccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095585487 IH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1-c1ccn[nH]1 ZINC000095585530 IH Annotated Mild COc1ccccc1CNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095585600 IH Annotated Mild COc1ccccc1CNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095585601 IH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cccc(F)c1-c1ccn[nH]1 ZINC000095585829 IH Annotated Mild O=S(=O)(c1ccccc1)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000095586083 IH Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000095586084 IH Annotated Anodyne Cc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC000095586586 IH Annotated Anodyne Cc1c(CCOCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095587431 IH Annotated Clean CN1c2ccc(NCc3ccc(Br)cc3)cc2-c2c(cnn2C)S1(=O)=O ZINC000095587544 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095588569 IH Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4cncnc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095588623 IH Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2n(c1C)Cc1c(c3ccccc3n1C)C2 ZINC000095588724 IH Annotated Anodyne CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCCNC(=O)c2ccccc2NC)C1 ZINC000095589188 IH Annotated Anodyne CCN(CC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cccc4O[C@]123 ZINC000095589276 IH Annotated Mild CN(C)CCN1C(=O)c2cccc3c2c(cc2nc(-c4ccc([N+](=O)[O-])cc4)oc23)C1=O ZINC000095589488 IH Annotated Bother CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC[C@H](N)C3)c2c1Cl ZINC000095590460 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC[C@@H](N)C3)c2c1Cl ZINC000095590461 IH Annotated Anodyne COc1cc(-c2c(CO)c(CO)c3n2Cc2c(c4ccccc4n2C)C3)cc(OC)c1OC ZINC000095590553 IH Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)cc1 ZINC000095590620 IH Annotated Anodyne COc1cc2c(c(OC)c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 ZINC000095591089 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC(N)CC3)c2c1Cl ZINC000095591580 IH Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4ccc[n+]([O-])c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095592028 IH Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCCCC4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095592680 IH Annotated Mild O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(S)n1-c1ccccc1 ZINC000095593007 IH Annotated Anodyne Cc1cc(OCc2cnnn2-c2ccc3c(c2)OCO3)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095595444 IH Annotated Anodyne O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12 ZINC000095595726 IH Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4oc3=O)cn12 ZINC000095596220 IH Annotated Anodyne CN(c1ncccc1CNc1c(C#N)cnc2[nH]c(-c3ccccc3)cc12)S(C)(=O)=O ZINC000095597268 IH Annotated Mild COc1cc(C=O)c(-c2c(C[C@H](C)C(C)=O)cc3c(c2OC)OCO3)c(OC)c1OC ZINC000095597367 IH Annotated Anodyne Cc1nc(-c2cccc(C#N)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 ZINC000095598471 IH Annotated Mild C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)nc3)cc2)CCN1 ZINC000095598481 IH Annotated Mild Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 ZINC000095598485 IH Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccn3)cc2F)o1 ZINC000095598513 IH Annotated Anodyne C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 ZINC000095598522 IH Annotated Anodyne C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@@H](C)N1 ZINC000095598603 IH Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095598809 IH Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095598932 IH Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)n2c(-c3ccc(=O)[nH]c3)nc3ccccc32)cc1 ZINC000095598964 IH Annotated Anodyne COc1ccc([C@@H](C(=O)NC(C)(C)C)n2c(-c3ccc(=O)[nH]c3)nc3ccccc32)cc1 ZINC000095598965 IH Annotated Anodyne O=C(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095599056 IH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095599077 IH Annotated Anodyne COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095599108 IH Annotated Mild O=C(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095599480 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095599531 IH Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095599593 IH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095599910 IH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccco2)C1=O ZINC000095599963 IH Annotated Anodyne COc1ccc(C(=O)C[C@@H]2OC[C@H](C(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000095599997 IH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccccc2)C1=O ZINC000095600028 IH Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)cc1 ZINC000095600220 IH Annotated Mild O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095600307 IH Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095600493 IH Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095600494 IH Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@H]3CO)cc2)c1 ZINC000095600619 IH Annotated Mild O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095600821 IH Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095600875 IH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095600924 IH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095600938 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1ccc(O)cc1 ZINC000095601650 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1ccc(O)cc1 ZINC000095601651 IH Annotated Anodyne CC[C@@H](C(=O)NO)N1Cc2sc(-c3ccc(-c4ccccc4)cc3)cc2S1(=O)=O ZINC000095601934 IH Annotated Bother CC[C@H](C(=O)NO)N1Cc2sc(-c3ccc(-c4ccccc4)cc3)cc2S1(=O)=O ZINC000095601935 IH Annotated Bother CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095602414 IH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095602415 IH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccccc2)C1=O ZINC000095602653 IH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095602679 IH Annotated Mild O=C(O)CCc1sc(/C=C2\NC(=O)CS2)nc1-c1sccc1Br ZINC000095602959 IH Annotated Anodyne O=S1(=O)c2c(cccc2N2CCCCC2)O[C@H](COCc2ccccc2)CN1C1CC1 ZINC000095603015 IH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095603023 IH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095603435 IH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCc1ccccc1 ZINC000095603686 IH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCc1ccccc1 ZINC000095603687 IH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccncc2)[C@H](CO)N3C)c1 ZINC000095603770 IH Annotated Anodyne N#C[C@@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095603788 IH Annotated Mild Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCOc1ccccc1 ZINC000095603807 IH Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2C(=O)N1CCOc1ccccc1 ZINC000095603808 IH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095604268 IH Annotated Anodyne COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCCCC4)[C@H]3C#N)cc2)c1 ZINC000095604270 IH Annotated Mild CC[C@@H](c1nnnn1-c1ccc(OC)cc1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000095604357 IH Annotated Anodyne CC[C@H](c1nnnn1-c1ccc(OC)cc1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000095604358 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095604656 IH Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095604657 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095604907 IH Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095605181 IH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCc1ccccc1F ZINC000095605641 IH Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCc1ccccc1F ZINC000095605642 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095605720 IH Annotated Mild COC(=O)[C@]1(O)C(=O)c2c(cc(C)c(Br)c2O)[C@H]2[C@@H](C(C)C)CC[C@]21C ZINC000095612536 IH Annotated Anodyne CO[C@@]1(c2cn(-c3ccccc3)nc2-c2ccccc2)Oc2ccccc2C(=O)[C@]1(O)OC ZINC000095616078 IH Annotated Anodyne CO[C@@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000095616079 IH Annotated Anodyne C/N=C(\O)[C@H](O)c1cc(O)c2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1 ZINC000095618829 IH Annotated Mild in-man C/N=C(\O)[C@@H](O)c1cc(O)c2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1 ZINC000095618830 IH Annotated Mild in-man O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4C[C@H]3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 ZINC000095626336 IH Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)OC(C)(C)C)[C@H](C)CN(C)C2=O ZINC000095660972 IH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095661029 IH Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095661030 IH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(C)CC1 ZINC000095661040 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(CC2CC2)C1 ZINC000095661089 IH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cnnn2CC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095661154 IH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095661275 IH Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)OC(C)(C)C)[C@@H](C)CN(C)C2=O ZINC000095661540 IH Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cnnn2CC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095661565 IH Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cnnn2CC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095661625 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(CC2CC2)C1 ZINC000095661923 IH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cnnn2CC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095662340 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(CC2CC2)C1 ZINC000095662626 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C)CC1 ZINC000095662932 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(CC2CC2)C1 ZINC000095662938 IH Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095663523 IH Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)OC(C)(C)C)[C@@H](C)CN(C)C2=O ZINC000095663577 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(C(C)=O)CC1 ZINC000095663764 IH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NC(C)C)C23CN(Cc2ccc(OC)cc2)C3)cc1 ZINC000095663847 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C)CC1 ZINC000095663940 IH Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(F)cc1)[C@@H](CO)N2 ZINC000095663960 IH Annotated Mild O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095664123 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccncc2)[C@@H](CO)N3)cc1 ZINC000095664284 IH Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@H](CO)N3)cc1 ZINC000095664412 IH Annotated Mild Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095664520 IH Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1cccc(F)c1 ZINC000095664536 IH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095664566 IH Annotated Anodyne COc1cccc(CN2CC3(C2)[C@H](c2ccccc2)[C@@H](CO)N3Cc2cccc(OC)c2)c1 ZINC000095664584 IH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095664670 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO ZINC000095664743 IH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095664911 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095664917 IH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095664922 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095664932 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095664948 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095664952 IH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095664963 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095664968 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095664970 IH Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095664974 IH Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095664992 IH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095664994 IH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095665030 IH Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095665044 IH Annotated Anodyne O=C(c1cc2c(c(-c3cccc(Br)c3)n1)[C@@H](CCO)NC2)N1CCCCC1 ZINC000095665281 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCC1)CC31CCN(C(C)=O)CC1 ZINC000095666252 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCC1)CC31CCN(C(C)=O)CC1 ZINC000095666301 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095666879 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@@H]2CO)cc1 ZINC000095666884 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@@H]2CO)cc1 ZINC000095666889 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)cc1 ZINC000095666893 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)cc1 ZINC000095666897 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095666906 IH Annotated Mild O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667073 IH Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667078 IH Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccccc1F)[C@@H](CO)N2 ZINC000095667362 IH Annotated Mild O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667403 IH Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667407 IH Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2Cc2ccncc2)[C@H](CO)N3)cc1 ZINC000095667539 IH Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2Cc2ccncc2)[C@@H](CO)N3)cc1 ZINC000095668193 IH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2/C=C/c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668237 IH Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@@H](CO)N3)cc1 ZINC000095668239 IH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2/C=C/c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668240 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)c1 ZINC000095668329 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)c1 ZINC000095668409 IH Annotated Mild OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1Cc1cc(F)ccc1F ZINC000095668592 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095668662 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095668670 IH Annotated Mild CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679410 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679412 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679413 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679414 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679415 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679416 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679417 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679418 IH Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095687610 IH Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095687611 IH Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095687612 IH Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095687613 IH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095687614 IH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095687615 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC)[C@@H](C)CO2 ZINC000095688375 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC)[C@H](C)CO2 ZINC000095688376 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC)[C@H](C)CO2 ZINC000095688377 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC)[C@H](C)CO2 ZINC000095688378 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC)[C@@H](C)CO2 ZINC000095688379 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC)[C@@H](C)CO2 ZINC000095688380 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC)[C@H](C)CO2 ZINC000095688381 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688643 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688644 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688645 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688646 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688647 IH Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688648 IH Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688649 IH Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095690742 IH Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095690743 IH Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095690745 IH Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095690747 IH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095690749 IH Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095690752 IH Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095690753 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690829 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690985 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691005 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691088 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691131 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691275 IH Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691303 IH Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCCC2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000095783959 IH Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](C(C)(C)C)[C@H]1CCCO ZINC000095784295 IH Annotated Anodyne N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095793619 IH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CCN(C)CC1 ZINC000095793673 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C)CC1 ZINC000095793776 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C)CC1 ZINC000095793777 IH Annotated Anodyne COc1ccccc1C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095793917 IH Annotated Mild O=C(Cc1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(F)c1 ZINC000095793959 IH Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 ZINC000095793963 IH Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 ZINC000095793965 IH Annotated Anodyne O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095794098 IH Annotated Anodyne O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095794099 IH Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095794188 IH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCCCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095794417 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095794420 IH Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095794523 IH Annotated Mild CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794525 IH Annotated Mild CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794528 IH Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@@H]2CO)cc1 ZINC000095794569 IH Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095795108 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095795110 IH Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)cc1 ZINC000095795328 IH Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095795329 IH Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](C2)[C@@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1 ZINC000095795330 IH Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095795367 IH Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](C2)[C@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1 ZINC000095795369 IH Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095795371 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795400 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095795401 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795402 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095795403 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095795404 IH Annotated Anodyne Cc1noc(C)c1NC(=O)NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(-c3ccccn3)c2)O1 ZINC000095795517 IH Annotated Anodyne Cc1noc(C)c1NC(=O)NC[C@H]1CC[C@H]2[C@H](CN2Cc2cccc(-c3ccccn3)c2)O1 ZINC000095795538 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3)c1 ZINC000095795575 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(Cc5ccc(C)cc5)C[C@H]34)cc2)cc1 ZINC000095795735 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(Cc5ccc(C)cc5)C[C@@H]34)cc2)cc1 ZINC000095795736 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(Cc5ccc(C)cc5)C[C@@H]34)cc2)cc1 ZINC000095795737 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CCN(C)CC1 ZINC000095795916 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(C)CC1 ZINC000095796165 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(CC2CC2)C1 ZINC000095796324 IH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(C(=O)c2ccc4c(c2)OCO4)C3)cc1 ZINC000095796397 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(C(=O)c2ccc4c(c2)OCO4)C3)cc1 ZINC000095796398 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3ccccn3)C23CN(CCC(F)(F)F)C3)cc1 ZINC000095796468 IH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3ccccn3)C23CN(CCC(F)(F)F)C3)cc1 ZINC000095796469 IH Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095796524 IH Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095796525 IH Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCCCC2)C3)c1 ZINC000095796555 IH Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCCCC2)C3)c1 ZINC000095796556 IH Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCCCC2)C3)c1 ZINC000095796557 IH Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCCCC2)C3)c1 ZINC000095796558 IH Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095796562 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095796645 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095796646 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095796648 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095796787 IH Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CCCCC1 ZINC000095796868 IH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095796969 IH Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095796981 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095796982 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095796983 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095796984 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095796985 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095796986 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095796998 IH Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095796999 IH Annotated Anodyne CC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095797166 IH Annotated Anodyne CC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095797191 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095797397 IH Annotated Mild O=C(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2ccc(Oc3ccccc3)cc2)O1)C1CCOCC1 ZINC000095797431 IH Annotated Anodyne COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@@H]2CO)cc1 ZINC000095797437 IH Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797483 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797484 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797485 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797486 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095797518 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797519 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797520 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095797521 IH Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2Cc2ccc(Oc3ccccc3)cc2)O1)C1CCOCC1 ZINC000095797751 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(Cc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095798127 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(Cc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095798128 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(Cc5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095798129 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccc(F)cc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095798130 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(Cc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095798131 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccc(F)cc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095798132 IH Annotated Anodyne N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095798367 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3)c1 ZINC000095798377 IH Annotated Anodyne N#C[C@H]1[C@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095798407 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095798451 IH Annotated Mild N#C[C@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095798521 IH Annotated Mild COc1ccc(NC(=O)[C@@H]2C=C3C=CC(=O)C=C3O/C2=N\c2ccc(C(=O)O)cc2)cc1 ZINC000095801881 IH Annotated Mild COc1ccc(NC(=O)[C@H]2C=C3C=CC(=O)C=C3O/C2=N\c2ccc(C(=O)O)cc2)cc1 ZINC000095801883 IH Annotated Mild O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1coc2ccccc2c1=O ZINC000095809759 IH Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O ZINC000095809776 IH Annotated Reactive CC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095864493 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H]1CO ZINC000095864509 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095864539 IH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CCN(C)CC1 ZINC000095864696 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(C)CC1 ZINC000095864698 IH Annotated Anodyne COc1cccc(CN2CC3(CCN(C)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095865413 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(CC2CC2)C1 ZINC000095865427 IH Annotated Anodyne COc1cccc(CN2CC3(CCN(C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095865438 IH Annotated Anodyne COc1cccc(CN2CC3(CCN(C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095865439 IH Annotated Anodyne COc1cccc(CN2CC3(CCN(C)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095865444 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(CC2CC2)C1 ZINC000095865521 IH Annotated Anodyne COc1cccc(CN2CC3(CN(CC4CC4)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095865645 IH Annotated Anodyne COc1cccc(CN2CC3(CN(CC4CC4)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095865647 IH Annotated Anodyne CC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095865896 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866009 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866010 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866011 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866012 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866035 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866036 IH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866061 IH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866062 IH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866080 IH Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866081 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866275 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866276 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866277 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866278 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866355 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866358 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866359 IH Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866360 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866398 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866399 IH Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 ZINC000095866577 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H](CO)N3)c1 ZINC000095866826 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3)c1 ZINC000095866907 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2cc(F)ccc2F)CC1 ZINC000095867484 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2cc(F)ccc2F)CC1 ZINC000095867485 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095867495 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095867496 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(Cc2ccc(F)cc2)C1 ZINC000095867627 IH Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(Cc2ccc(F)cc2)C1 ZINC000095867628 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C)CC1 ZINC000095867812 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(CC2CC2)C1 ZINC000095867902 IH Annotated Anodyne O=C(c1cc2c(c(-c3cccc(Br)c3)n1)[C@H](CCO)NC2)N1CCCCC1 ZINC000095867926 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)c1 ZINC000095867945 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)c1 ZINC000095867947 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)c1 ZINC000095867949 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)c1 ZINC000095867950 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@@H]2CO)c1 ZINC000095867952 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@@H]2CO)c1 ZINC000095867954 IH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095867955 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CN(CC2CC2)C1 ZINC000095868528 IH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CN(CC2CC2)C1 ZINC000095868529 IH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095868840 IH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095868841 IH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095868842 IH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095868843 IH Annotated Anodyne CCC(=O)N1CC2(C1)CN(CC1CCCCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868876 IH Annotated Anodyne CCC(=O)N1CC2(C1)CN(CC1CCCCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868877 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095869179 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3)c1 ZINC000095869230 IH Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2ccc(Oc3ccccc3)cc2)O1)C1CCOCC1 ZINC000095869249 IH Annotated Anodyne O=C(NC[C@H]1CC[C@H]2[C@H](CN2Cc2ccc(Oc3ccccc3)cc2)O1)C1CCOCC1 ZINC000095869254 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3)c1 ZINC000095869327 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3)c1 ZINC000095869347 IH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1C#N ZINC000095869495 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H](CO)N3)c1 ZINC000095869501 IH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095871390 IH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095871391 IH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095871392 IH Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccc(F)cc1)[C@H](CO)N2 ZINC000095871781 IH Annotated Mild CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095871867 IH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871885 IH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871887 IH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871889 IH Annotated Mild CCC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)[C@@H](CO)N1CCC(F)(F)F ZINC000095871913 IH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871925 IH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871927 IH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871929 IH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095871930 IH Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1 ZINC000095871950 IH Annotated Mild Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095872144 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873704 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095873705 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095873706 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873707 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873708 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873709 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873710 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095873750 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873751 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095873752 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095873753 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873754 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873755 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095873756 IH Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095873757 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@H]34)cc2)c1 ZINC000095873946 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095873947 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095873948 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095873949 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)NC(C)C)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873950 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@H]34)cc2)c1 ZINC000095873951 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095873952 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)NC(C)C)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873953 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095874010 IH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874011 IH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874012 IH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874013 IH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095874014 IH Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095874015 IH Annotated Mild Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@H]34)cc2)cc1 ZINC000095874103 IH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)cc1 ZINC000095874104 IH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)cc1 ZINC000095874105 IH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)cc1 ZINC000095874106 IH Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874151 IH Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095874152 IH Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095874153 IH Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874154 IH Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874155 IH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21 ZINC000095874416 IH Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095874417 IH Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095874418 IH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095874419 IH Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095874420 IH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095874421 IH Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21 ZINC000095874422 IH Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095874423 IH Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874545 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874546 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874547 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874548 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874549 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874550 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874551 IH Annotated Anodyne O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874552 IH Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874656 IH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874657 IH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095874658 IH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874659 IH Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874660 IH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874661 IH Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874662 IH Annotated Mild OC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874681 IH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874682 IH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874683 IH Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874684 IH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874685 IH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874686 IH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095874687 IH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095874688 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@H]34)cc2)c1 ZINC000095874834 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cncnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874835 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095874836 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cncnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874837 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095874838 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095874839 IH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095874840 IH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@H]34)cc2)c1 ZINC000095874841 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@H]34)cc2)cc1 ZINC000095875022 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@H]34)cc2)cc1 ZINC000095875023 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)cc1 ZINC000095875024 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)cc1 ZINC000095875025 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)cc1 ZINC000095875026 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875151 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875152 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875153 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875154 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875155 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875156 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875157 IH Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875158 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095875239 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095875240 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095875241 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@H]34)cc2)cc1 ZINC000095875242 IH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)NC(C)C)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875243 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095875244 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)NC(C)C)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875245 IH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@H]34)cc2)cc1 ZINC000095875246 IH Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095875289 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095875290 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095875291 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095875292 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095875293 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095875294 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095875295 IH Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095875296 IH Annotated Mild Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095875320 IH Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@H]34)cc2)c1 ZINC000095875321 IH Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@H]34)cc2)c1 ZINC000095875322 IH Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095875323 IH Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cncnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875324 IH Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cncnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875325 IH Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)c1 ZINC000095875326 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cccc(C)c4)CCCCN3[C@H]2CO)cc1 ZINC000095875422 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccc(C)c4)C[C@@H]23)cc1 ZINC000095875423 IH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccc(C)c4)C[C@@H]23)cc1 ZINC000095875424 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccc(C)c4)C[C@H]23)cc1 ZINC000095875425 IH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cccc(C)c4)C[C@@H]23)cc1 ZINC000095875426 IH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cccc(C)c4)C[C@@H]23)cc1 ZINC000095875427 IH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccc(C)c4)C[C@H]23)cc1 ZINC000095875428 IH Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[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]1[C@@H]2C ZINC000095876458 IH Annotated Mild OC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877070 IH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877071 IH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877072 IH Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877073 IH Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877074 IH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095877075 IH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095877076 IH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095877077 IH Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095877542 IH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095877543 IH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095877544 IH Annotated Mild CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095877583 IH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095877584 IH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095877585 IH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095877586 IH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccncc2)[C@H](CO)N3)c1 ZINC000095877684 IH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccncc2)[C@@H](CO)N3)c1 ZINC000095877685 IH Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@H](CO)N2C ZINC000095877739 IH Annotated Mild CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)N2C ZINC000095877740 IH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@@H](CO)N3)c1 ZINC000095877744 IH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@H](CO)N3)c1 ZINC000095877745 IH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H](CO)N3)c1 ZINC000095877746 IH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H](CO)N3)c1 ZINC000095877747 IH Annotated Mild CCCC#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(F)cc1)[C@H](CO)N2C ZINC000095877921 IH Annotated Mild CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccc(F)cc1)[C@@H](CO)N2C ZINC000095877922 IH Annotated Mild CCCC#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@H](CO)N2C ZINC000095878005 IH Annotated Mild CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@@H](CO)N2C ZINC000095878007 IH Annotated Mild CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095878120 IH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095878121 IH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095878122 IH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095878123 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095878125 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095878126 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095878127 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095878128 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@@H](CO)N3C)cc1 ZINC000095878149 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H](CO)N3C)cc1 ZINC000095878150 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H](CO)N3C)cc1 ZINC000095878151 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3C)cc1 ZINC000095878218 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H](CO)N3C)cc1 ZINC000095878219 IH Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2nccs2)[C@@H](CO)N3)cc1 ZINC000095878226 IH Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H](CO)N3C)cc1 ZINC000095878328 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H](CO)N3C)cc1 ZINC000095878329 IH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccncc2)[C@H](CO)N3)cc1 ZINC000095878392 IH Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095878455 IH Annotated Mild CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Nc2cccc(F)c2)[C@@H]1CO ZINC000095878462 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2cccc(F)c2)[C@@H]1CO ZINC000095878463 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2cccc(F)c2)[C@H]1CO ZINC000095878464 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Nc2cccc(F)c2)[C@H]1CO ZINC000095878465 IH Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878553 IH Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878554 IH Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3C)c1 ZINC000095878587 IH Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(Br)cc4[C@@H]32)cc1 ZINC000095878606 IH Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2c2cc(Br)ccc2N(C)[C@H]3CO)cc1 ZINC000095878607 IH Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2c2cc(Br)ccc2N(C)[C@@H]3CO)cc1 ZINC000095878608 IH Annotated Anodyne COc1ccc(NC(=O)N2CC[C@H]3[C@@H]2c2cc(Br)ccc2N(C)[C@H]3CO)cc1 ZINC000095878609 IH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095878632 IH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095878633 IH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095878634 IH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095878635 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3C)cc1 ZINC000095878663 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3C)cc1 ZINC000095878664 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H](CO)N3C)cc1 ZINC000095878665 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H](CO)N3C)cc1 ZINC000095878666 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2nccs2)[C@@H](CO)N3)c1 ZINC000095878747 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@@H](CO)N3)c1 ZINC000095878748 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@H](CO)N3)c1 ZINC000095878749 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccccc2F)[C@H]1CO ZINC000095878797 IH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2F)[C@@H]1CO ZINC000095878798 IH Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H]1CO ZINC000095878803 IH Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO ZINC000095878804 IH Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO ZINC000095878805 IH Annotated Mild CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095878818 IH Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095878819 IH Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095878820 IH Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1ccccc1 ZINC000095881194 IH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccc(F)c1 ZINC000095893276 IH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccc(F)c1 ZINC000095893277 IH Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893338 IH Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893339 IH Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893340 IH Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893341 IH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccc(F)c1 ZINC000095893565 IH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccc(F)c1 ZINC000095893566 IH Annotated Anodyne O=C(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095893607 IH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893634 IH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893635 IH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3CC2CCCC2)c1 ZINC000095893718 IH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3CC2CCCC2)c1 ZINC000095893719 IH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3CC2CCCC2)c1 ZINC000095893720 IH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3CC2CCCC2)c1 ZINC000095893721 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccncc1 ZINC000095893776 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccncc1 ZINC000095893777 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccncc1 ZINC000095893778 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccncc1 ZINC000095893779 IH Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893824 IH Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(Cl)cc3)C[C@@H]21 ZINC000095893825 IH Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(Cl)cc3)C[C@@H]21 ZINC000095893826 IH Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC000095893827 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893851 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893852 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893853 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893854 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095893878 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893886 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893893 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893895 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893897 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893898 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893899 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095893951 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893952 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893953 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095893954 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095893966 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095893994 IH Annotated Anodyne O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894000 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095894002 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095894004 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095894027 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894028 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095894029 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894030 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894033 IH Annotated Anodyne O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894035 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894067 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894068 IH Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894069 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894077 IH Annotated Anodyne O=C(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894148 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095894160 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894205 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894206 IH Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894207 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894267 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894268 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894269 IH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894270 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095894308 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894309 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894310 IH Annotated Anodyne O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095894311 IH Annotated Anodyne O=C(Nc1ccccc1Cl)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095894382 IH Annotated Anodyne O=C(Nc1ccccc1Cl)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095894383 IH Annotated Anodyne O=C(Nc1ccccc1Cl)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095894384 IH Annotated Anodyne O=C(Nc1ccccc1Cl)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095894385 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894485 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894486 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894487 IH Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894488 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1 ZINC000095894518 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 ZINC000095894519 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1 ZINC000095894520 IH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 ZINC000095894521 IH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 ZINC000095894789 IH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 ZINC000095894790 IH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 ZINC000095894791 IH Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 ZINC000095894792 IH Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095896087 IH Annotated Mild N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095896088 IH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095896089 IH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095896090 IH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095896091 IH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095896092 IH Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)cc1 ZINC000095896262 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@H]3CO)cc2)c1 ZINC000095896274 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@H]3CO)cc2)c1 ZINC000095896275 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCCCC4)[C@H]3C#N)cc2)c1 ZINC000095897399 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCCCC4)[C@H]3C#N)cc2)c1 ZINC000095897400 IH Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@@H]3CO)cc2)c1 ZINC000095897401 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897402 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897403 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897404 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1C#N ZINC000095897405 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO ZINC000095897406 IH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095897609 IH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897661 IH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897662 IH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897663 IH Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897664 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCCCC4)[C@H]3C#N)cc2)cc1 ZINC000095897671 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@H]3CO)cc2)cc1 ZINC000095897672 IH Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@H]3CO)cc2)cc1 ZINC000095897673 IH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897674 IH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897675 IH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897676 IH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897677 IH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897678 IH Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897679 IH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897680 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO ZINC000095897844 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO ZINC000095897845 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]1CO ZINC000095897846 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1C#N ZINC000095897847 IH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO ZINC000095897848 IH Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCCCC4)[C@H]3C#N)cc2)c1 ZINC000095897855 IH Annotated Mild C/C=C(\C)C(=O)OC[C@@]12[C@@H](O)C[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1 ZINC000095909379 IH Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1/C(C)=C\C[C@@H]2C(C(C)C)=CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)C[C@@]21O ZINC000095909690 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000095909715 IH Annotated Anodyne in-vitro biogenic CCOC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](C(=O)OCC)[C@@H](c1cc(O)cc(OC)c1)O2 ZINC000095910042 IH Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@@H]1[C@@H](CC[C@]34C[C@]13C(=O)O[C@H]4c1ccoc1)O2 ZINC000095910047 IH Annotated Anodyne in-vitro biogenic CC1(C)O[C@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@@H]1[C@@H](CC[C@]34C[C@]13C(=O)O[C@H]4c1ccoc1)O2 ZINC000095910048 IH Annotated Anodyne in-vitro biogenic C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)C4=CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000095910374 IH Annotated Anodyne C[C@H]1CC[C@@H]2[C@H](C)[C@H]3[C@@H](O)C[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000095910379 IH Annotated Anodyne in-vitro biogenic CC(=O)C[C@H]1C(=O)C(CO)=CC[C@](C)(C/C=C/C(C)(C)O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000095911273 IH Annotated Mild in-vitro biogenic C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O ZINC000095912388 IH Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@@H]6C[C@H](O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3C[N+]2([O-])C1 ZINC000095912505 IH Annotated Bother in-vitro biogenic C=C1[C@H](OC(=O)/C(C)=C\C)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000095913635 IH Annotated Mild in-vitro biogenic CC(C)=CC(=O)OCC[C@]1(C)CC[C@]2(O1)[C@@]1(C)O[C@H]1[C@@H](O)[C@@H]1C(C)(C)CCC(=O)[C@]12C ZINC000095914312 IH Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1/C=C(\C)CC[C@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000095914885 IH Annotated Anodyne in-vitro biogenic C=C1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@]5(O)C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000095919273 IH Annotated Mild C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2(O)C1 ZINC000095919355 IH Annotated Bother in-vitro biogenic C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2(O)C1 ZINC000095919356 IH Annotated Bother in-vitro biogenic C[C@@H]1CC[C@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 ZINC000095919488 IH Annotated Anodyne in-vitro biogenic C[C@H](NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C ZINC000095920542 IH Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4c(c3)N(O)C=CC4)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095921198 IH Annotated Anodyne CCN(CC)CCNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000095921236 IH Annotated Bother COC(=O)[C@]12C=C3CC(c4ccc(OC)cc4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 ZINC000096018511 IH Annotated Anodyne COC(=O)[C@@]12C=C3CC(c4ccc(OC)cc4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 ZINC000096018512 IH Annotated Anodyne CC(C)(C)OC(=O)NCCc1ccccc1/C=C/S(=O)(=O)NCc1ccc(F)cc1 ZINC000096019104 IH Annotated Anodyne CC(C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(N3CCCC3)ccc2S1(=O)=O ZINC000096019377 IH Annotated Anodyne CCN(Cc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019391 IH Annotated Anodyne C#CCCCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019945 IH Annotated Anodyne CC(C)(C)OC(=O)NCc1cc(F)ccc1/C=C/S(=O)(=O)NCCc1ccccc1 ZINC000096020287 IH Annotated Anodyne COc1ccc(CNS(=O)(=O)/C=C/c2ccccc2CNC(=O)OC(C)(C)C)cc1 ZINC000096020296 IH Annotated Anodyne O=S(=O)(NCc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1N1CC[C@@H](O)C1 ZINC000096021288 IH Annotated Anodyne CNC(=O)[C@@]1(O)C(=O)n2c(c(OC)c3cc(Cl)ccc32)-c2[nH]c3ccc(Cl)cc3c21 ZINC000096085375 IH Annotated Anodyne C[C@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]([C@](C)(O)CO)[C@@]4(CCC(=O)O4)C[C@H]3CC[C@]12C ZINC000096085623 IH Annotated Anodyne in-vitro COc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000096129899 IH Annotated Mild COc1ccc2c(c1)CC[C@@]2(Cc1ccc(C(F)(F)F)nc1)c1cn(CCCO)c(N)n1 ZINC000096168404 IH Annotated Anodyne COc1ccc2c(c1)CC[C@]2(Cc1ccc(C(F)(F)F)nc1)c1cn(CCCO)c(N)n1 ZINC000096168405 IH Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1 ZINC000096168523 IH Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](S(=O)(=O)c3ccc(F)cc3)CN12 ZINC000096168525 IH Annotated Anodyne OCC1CCN(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1 ZINC000096168728 IH Annotated Anodyne O=C(Cc1ccc(F)cc1)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 ZINC000096169510 IH Annotated Anodyne Cc1ccc(CC(=O)N2C[C@H]3CCN(c4ccc(OCC(F)(F)F)cc4)C(=O)[C@H]3C2)cc1 ZINC000096169514 IH Annotated Anodyne NC(=O)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 ZINC000096170140 IH Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1 ZINC000096170623 IH Annotated Anodyne C[C@H](O)[C@@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000096170628 IH Annotated Anodyne CC(C)(O)CSc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000096170631 IH Annotated Anodyne O=C1C=C(N2CCCCC2)[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1 ZINC000096172358 IH Annotated Clean O=C1C=C(N2CCCCC2)[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1 ZINC000096172359 IH Annotated Clean CSc1nc(C)cc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172420 IH Annotated Anodyne CSc1nc(C)cc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172421 IH Annotated Anodyne CSc1nc(C)cc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172422 IH Annotated Anodyne CSc1nc(C)cc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172423 IH Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1ncnc3ccoc13)=NC2 ZINC000096172482 IH Annotated Anodyne CCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174182 IH Annotated Anodyne CCCCOc1ccc(C(=O)N(C)[C@@H]2Cc3ccc(CNC[C@@H]4CCCO4)cc3C2)nc1 ZINC000096174237 IH Annotated Anodyne Cc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(C)c3)n2)cn1 ZINC000096174454 IH Annotated Anodyne CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(Cl)cc(NS(C)(=O)=O)c2F)[nH]1 ZINC000096174568 IH Annotated Anodyne CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(F)cc(NS(C)(=O)=O)c2Cl)[nH]1 ZINC000096174574 IH Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(CCCC#N)n2)c1F ZINC000096174595 IH Annotated Mild O=C(Cc1ccc2c(c1)CN=C2c1nc2ccc(N3CCOCC3)cc2[nH]1)[C@@H]1CC1(F)F ZINC000096174722 IH Annotated Anodyne O=C(Cc1ccc2c(c1)CN=C2c1nc2ccc(N3CCOCC3)cc2[nH]1)[C@H]1CC1(F)F ZINC000096174723 IH Annotated Anodyne F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12 ZINC000096175045 IH Annotated Anodyne F[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12 ZINC000096175046 IH Annotated Anodyne F[C@@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12 ZINC000096175047 IH Annotated Anodyne F[C@@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12 ZINC000096175048 IH Annotated Anodyne COc1ccc2nnc(-c3ccc4cc(F)cc(OCC5(F)CCNCC5)c4n3)n2c1 ZINC000096175102 IH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1CCO ZINC000096175299 IH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1CCO ZINC000096175300 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175358 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175359 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cncc3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175366 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cncc3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175367 IH Annotated Anodyne COc1cc(S(=O)(=O)n2ccc3ccc(F)cc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175370 IH Annotated Anodyne COc1cc(S(=O)(=O)n2ccc3ccc(F)cc32)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175371 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175378 IH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175379 IH Annotated Anodyne CN(C)C(=O)c1cccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)c1 ZINC000096176075 IH Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cc1 ZINC000096176084 IH Annotated Anodyne COc1ccccc1[C@H]1C(C(=O)C(C)(C)CO)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176428 IH Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccnc2OCCO)cc1 ZINC000096176528 IH Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176548 IH Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO ZINC000096176587 IH Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176836 IH Annotated Mild CSc1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@@H]2c2cccnc2OCCO)cc1 ZINC000096177048 IH Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177052 IH Annotated Anodyne N[C@@H]1C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC[C@@H]1O ZINC000096177729 IH Annotated Anodyne O=C(Nc1cnccn1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258241 IH Annotated Anodyne O=C(C[n+]1cccc(F)c1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 ZINC000096258339 IH Annotated Mild Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c(=O)n(C[C@@H](O)CO)[nH]c23)cc1 ZINC000096269813 IH Annotated Anodyne Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c(=O)n(C[C@H](O)CO)[nH]c23)cc1 ZINC000096269817 IH Annotated Anodyne CN(CCO)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2N2CCCCC2)cn1 ZINC000096270022 IH Annotated Anodyne Cc1nc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)oc1C ZINC000096271192 IH Annotated Anodyne CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272204 IH Annotated Anodyne CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 ZINC000096272689 IH Annotated Mild CN(Cc1ccccc1)C(=O)Cn1nc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000096282657 IH Annotated Anodyne COC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cnn1CCc1ccccc1 ZINC000096283168 IH Annotated Bother COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F ZINC000096283739 IH Annotated Anodyne COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1 ZINC000096283741 IH Annotated Anodyne CCCc1sc(-c2ccc(OC)c(OCCO)c2)nc1CSc1nccc(N)n1 ZINC000096283895 IH Annotated Anodyne Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]cc4-c4ccccc4)C3=O)CC2)n1 ZINC000096285047 IH Annotated Anodyne COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1 ZINC000096285050 IH Annotated Anodyne Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)cc4-c4ccccc4)C3=O)CC2)n1 ZINC000096285058 IH Annotated Anodyne Cc1cccc(-c2nc(CNc3ccc(C(N)=O)cc3)cn2-c2ccc3c(c2)OCO3)n1 ZINC000096285310 IH Annotated Anodyne CC(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@@H]1Cc1ccccc1 ZINC000096314034 IH Annotated Anodyne Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] ZINC000096669642 IH Annotated Reactive C/C(=C\[C@@H](O)[C@H](O)[C@@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)/C(C(=O)O)=C/C[C@H]12)C(=O)O ZINC000096900492 IH Annotated Anodyne COn1cc(-c2ccccc2)c(O)c([C@@H]2O[C@H]([C@H](C)CCOC(C)=O)[C@@H](C)C[C@H]2C)c1=O ZINC000096901251 IH Annotated Anodyne C=CC(C)(C)c1cc([C@]2(O)COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(O)cc1O ZINC000096902675 IH Annotated Mild CC(C)CNc1nccc(NCCN(C)c2cc(-c3cccc(Cl)c3)nc(N)n2)n1 ZINC000096906134 IH Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 ZINC000096906458 IH Annotated Anodyne O=C(O)c1ccc2nc(-c3cc4ccc(I)cc4oc3=O)[nH]c2c1 ZINC000096906695 IH Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cscn5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000096907419 IH Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cscn5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000096907420 IH Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cccnc5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000096907456 IH Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cccnc5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000096907457 IH Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5ccncc5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000096907458 IH Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5ccncc5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000096907459 IH Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)CN)c1ccccc1-2 ZINC000096907743 IH Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN)c1ccccc1-2 ZINC000096907744 IH Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)CN)c1ccccc1-2 ZINC000096907745 IH Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN)c1ccccc1-2 ZINC000096907746 IH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(C)cc32)N1C(=O)c1ccc(Cl)cc1 ZINC000096908987 IH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccc(C)cc32)N1C(=O)c1ccc(Cl)cc1 ZINC000096908991 IH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@]2(N1)C(=O)N(C1CCCCC1)c1ccc(Br)cc12 ZINC000096909004 IH Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(C)cc32)N1C(=O)Cc1ccc(Cl)cc1 ZINC000096909008 IH Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@@H](C)[C@H](C)OC(=O)[C@H]4[C@@H]3C2=CO1 ZINC000096909113 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@@H](C)[C@H](C)OC(=O)[C@H]4[C@H]3C2=CO1 ZINC000096909114 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@@H](C)[C@H](C)OC(=O)[C@@H]4[C@@H]3C2=CO1 ZINC000096909115 IH Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@@H](C)[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000096909116 IH Annotated Mild C=Cc1ccc(C(=O)O[C@H]2C=C3CCN(C)[C@H]3[C@@H]3c4cc5c(cc4C(=O)O[C@H]23)OCO5)cc1 ZINC000096909152 IH Annotated Anodyne CCCCN[C@@H](c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909676 IH Annotated Anodyne CCCCN[C@H](c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909677 IH Annotated Anodyne CCCCN[C@@H](c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909678 IH Annotated Anodyne CCCCN[C@H](c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909679 IH Annotated Anodyne O=c1nc(N2CCC3(CC2)OCCS3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000096910807 IH Annotated Bother C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=CC(=O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000096914651 IH Annotated Mild Cc1ccc(N2CCc3c(NS(=O)(=O)c4cccc(Cl)c4C)n[nH]c3C2=O)cc1 ZINC000096916152 IH Annotated Anodyne Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1 ZINC000096917507 IH Annotated Anodyne O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(I)c1 ZINC000096921512 IH Annotated Anodyne CCCC(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000096922533 IH Annotated Anodyne C/C=C/C(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000096922535 IH Annotated Anodyne COc1cc(-c2nc(NC(=O)NO)c3c4c(sc3n2)CCCC4)cc(OC)c1OC ZINC000096922951 IH Annotated Anodyne CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@]4(C)O)[C@@]3(C)[C@H](O)C[C@@H]12 ZINC000096923584 IH Annotated Anodyne CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@]4(C)O)[C@@]3(C)[C@H](O)C[C@@H]12 ZINC000096923585 IH Annotated Anodyne CCn1c(SC/C(=N/O)c2ccccc2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000096924041 IH Annotated Mild CC(C)c1cc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924059 IH Annotated Mild COc1ccc(-n2nc(CCC(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1 ZINC000096928099 IH Annotated Anodyne COc1cc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000096930131 IH Annotated Anodyne COc1cc(-c2nc(S)nc(N/N=C/c3ccc(F)cc3)c2C#N)cc(OC)c1OC ZINC000096932744 IH Annotated Mild CCCCCNC(=S)N/N=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000096933186 IH Annotated Mild Cc1ccccc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1 ZINC000096933876 IH Annotated Anodyne N=C(NCCCCCCCCN1CCCCCCCCN/C(N)=N/C1=O)NCC1CC1 ZINC000096933928 IH Annotated Anodyne COc1ccc([C@H]2O[C@]34C[C@@H](c5ccc(OC)c(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934065 IH Annotated Reactive COc1ccc([C@H]2O[C@]34C[C@H](c5ccc(OC)c(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934066 IH Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(OC)c(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934067 IH Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@H](c5ccc(OC)c(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934068 IH Annotated Reactive COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccc([N+](=O)[O-])cc2)O4)cc1 ZINC000096934077 IH Annotated Reactive COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccc([N+](=O)[O-])cc2)O4)cc1 ZINC000096934078 IH Annotated Reactive COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1 ZINC000096934079 IH Annotated Reactive COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1 ZINC000096934080 IH Annotated Reactive O=c1cc(Cn2c3ccccc3n3c(=O)cc(C(F)(F)F)nc23)c2cc(F)ccc2o1 ZINC000096934507 IH Annotated Anodyne O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@@H]3n1cc(-c2ccc(F)cc2)nn1 ZINC000096934596 IH Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@H]3n1cc(-c2ccc(F)cc2)nn1 ZINC000096934597 IH Annotated Mild Cc1ccc(-c2cn([C@@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934602 IH Annotated Mild Cc1ccc(-c2cn([C@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934603 IH Annotated Mild NS(=O)(=O)c1ccc(/N=C(/S)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 ZINC000096934987 IH Annotated Mild CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2Cl)CC1 ZINC000096938559 IH Annotated Anodyne CSc1ccc(-n2cc(CNCCN3CCN(C)CC3)c(-c3ccccc3C)n2)cc1 ZINC000096938567 IH Annotated Anodyne N#Cc1ccccc1CN1C(=O)N(Cc2cccc(Cl)c2)S(=O)(=O)n2cccc21 ZINC000096938777 IH Annotated Mild O=C1N(Cc2ccccc2Br)c2cccn2S(=O)(=O)N1Cc1ccccc1 ZINC000096938785 IH Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccc(Cl)cc2)CC1 ZINC000096938976 IH Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2cccc(Cl)c2)CC1 ZINC000096938979 IH Annotated Anodyne Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCCN1CCN(C)CC1 ZINC000096938985 IH Annotated Anodyne CCN(CC)C[C@H](O)CN(Cc1ccc(OC)cc1)Cc1cc2ccccc2nc1OC ZINC000096939077 IH Annotated Anodyne CCN(CC)C[C@@H](O)CN(Cc1ccc(OC)cc1)Cc1cc2ccccc2nc1OC ZINC000096939078 IH Annotated Anodyne O=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccc(Cl)cc1 ZINC000096939352 IH Annotated Anodyne O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(Br)cn12 ZINC000096939366 IH Annotated Bother O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H]1CCCN1[C@H]2c1ccc(Br)cc1 ZINC000096941625 IH Annotated Anodyne CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000096941633 IH Annotated Anodyne C=CC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000096941637 IH Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](CCF)[C@H]3[C@@H]3CCCN32)cc1 ZINC000096941639 IH Annotated Anodyne CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2ccc3nccnc3c2)[nH]1 ZINC000096941675 IH Annotated Anodyne CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cnc3ccccc3n2)[nH]1 ZINC000096941676 IH Annotated Anodyne Cc1c([C@H](O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CN(C(C)C)C(C)C ZINC000096941830 IH Annotated Anodyne COc1ccc(-c2csc(/N=C3\NC(=O)/C(=C/c4ccc([N+](=O)[O-])n4C)S3)n2)cc1 ZINC000098082403 IH Annotated Mild CC/C(NCc1ccc(OCc2cnc(Cl)s2)cc1)=C(\C#N)C(=O)OCCOC ZINC000098082758 IH Annotated Reactive CCOCCOC(=O)/C(C#N)=C(/C)NCc1ccc(OCc2cnc(Cl)s2)cc1 ZINC000098082760 IH Annotated Reactive CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3cc(Br)ccc3nc2Cl)S1 ZINC000098083277 IH Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cc(Br)ccc3nc2Cl)S1 ZINC000098083278 IH Annotated Anodyne CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccc(OC)cc2)c2cc(Cl)ccc21 ZINC000098084672 IH Annotated Mild CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccc(C)cc2)c2cc(Cl)ccc21 ZINC000098084673 IH Annotated Mild C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 ZINC000098085000 IH Annotated Reactive O=c1oc2ccccc2cc1-c1cn2nc(-c3c(O)[o+]nn3-c3ccccc3)sc2n1 ZINC000098085002 IH Annotated Anodyne COc1nc2ccccc2nc1N1CCN(CCc2ccc(-c3csc(N)n3)cc2)CC1 ZINC000098085117 IH Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccccc1F ZINC000098085161 IH Annotated Reactive COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=O)n4C=N[C@@H]32)cc1 ZINC000098085194 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=O)n4C=N[C@H]32)cc1 ZINC000098085195 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=O)n4C=N[C@@H]32)cc1 ZINC000098085196 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=O)n4C=N[C@H]32)cc1 ZINC000098085197 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C4=NNC(=O)CN4C=N[C@@H]32)cc1 ZINC000098085513 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C4=NNC(=O)CN4C=N[C@H]32)cc1 ZINC000098085514 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C4=NNC(=O)CN4C=N[C@@H]32)cc1 ZINC000098085515 IH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C4=NNC(=O)CN4C=N[C@H]32)cc1 ZINC000098085516 IH Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(n4nc5ccccc5n4)CC3)o2)cc1Cl ZINC000098085675 IH Annotated Bother COc1ccc(-[n+]2noc(O)c2Cn2c(-c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 ZINC000098085701 IH Annotated Bother COc1ccc2[nH]c([S@@](=O)Cc3nc(OC)c4c5c(sc4n3)CCCC5)nc2c1 ZINC000098085725 IH Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc(OC)c4c5c(sc4n3)CCCC5)nc2c1 ZINC000098085726 IH Annotated Anodyne Cc1ncc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)NCC(C)C ZINC000098185403 IH Annotated Mild Cc1cc(C)c(CNC(=O)c2cc(NC(C)C)nc(-c3ccc(CN(C)C)cc3)c2)c(=O)[nH]1 ZINC000098185663 IH Annotated Anodyne CC(C)(c1cc(-c2cnc(NC(=O)N3CCC[C@@]3(C)C(N)=O)s2)ccn1)C(F)(F)F ZINC000098196166 IH Annotated Anodyne CCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(c3ccnc(N)c3)C2=O)cc1 ZINC000098208611 IH Annotated Mild