O=C(Nc1ccc(C(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001001041 II Annotated Anodyne CC(C)(C)c1cc(NC(=O)NN2CCOCC2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000001047231 II Annotated Anodyne CSc1ccc(/C=C2\N=C(c3ccccc3)N(/N=C3\C(=O)Nc4ccccc43)C2=O)cc1 ZINC000001089770 II Annotated Mild CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(OC)c(OC)c1 ZINC000001163315 II Annotated Anodyne CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1 ZINC000001214332 II Annotated Reactive COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3n2)cc1OC ZINC000001216666 II Annotated Anodyne O=C(Cn1ccc(=NCc2ccccc2)cc1)c1ccc(I)cc1 ZINC000001225203 II Annotated Anodyne CN(c1ccccc1)N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000001237823 II Annotated Clean Cc1cc(C(=O)NCc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)no1 ZINC000001483393 II Annotated Anodyne COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1OC ZINC000001489417 II Annotated Reactive N#C/N=C1\N(CCCCCCCOc2ccc(Cl)cc2)C(=O)CN1c1ccncc1 ZINC000100013770 II Annotated Mild N#C/N=C1\N(CCCCCCOc2ccc(Cl)cc2)C(=O)CCN1c1ccncc1 ZINC000100013773 II Annotated Mild O[C@@]1(c2cccc(COc3ccc4c(-c5ccoc5)cncc4c3)n2)C[C@@H]2CO[C@@H](C1)O2 ZINC000100014578 II Annotated Anodyne O[C@]1(c2cccc(COc3ccc4c(-c5ccoc5)cncc4c3)n2)C[C@@H]2CO[C@@H](C1)O2 ZINC000100014581 II Annotated Anodyne OCCN1CCN(CC/C=C2/c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1 ZINC000100037132 II Annotated Anodyne world OCCN1CCN(CC/C=C2/c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1 ZINC000100037135 II Annotated Anodyne world COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000100057074 II Annotated Mild COC(=O)[C@@H]1[C@@H](c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)[C@H]2C=C[C@H]1CC2 ZINC000100057075 II Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCc3ccccn3)cc2/C1=[N+](/C)[O-] ZINC000100072968 II Annotated Mild COC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2cccc(OC)c2)[C@@H]1c1ccccn1 ZINC000100073465 II Annotated Anodyne CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@@H](CCC(=O)OC)OC(C)=O ZINC000100074646 II Annotated Mild in-vitro CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2Cc1ccc(F)cc1 ZINC000100085571 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100086619 II Annotated Anodyne CC(C)NC(=O)N1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]1C2c1ccc(Br)cc1 ZINC000100088324 II Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100088328 II Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100088330 II Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]1C2c1ccc(Br)cc1 ZINC000100088331 II Annotated Anodyne N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@@H]3N4)cc2)cc1 ZINC000100088474 II Annotated Mild CC(C)NC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2Cc1ccc(F)cc1 ZINC000100088602 II Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@@H]3N4)cc2)c1 ZINC000100088721 II Annotated Mild O=S(=O)(Cc1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100088728 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100092571 II Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100092857 II Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)c1 ZINC000100093294 II Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)c1 ZINC000100093372 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100093766 II Annotated Anodyne COc1ccccc1NC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2OC)cc1 ZINC000100093860 II Annotated Anodyne COc1ccccc1NC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2OC)cc1 ZINC000100094450 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000100095839 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000100096103 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000100096230 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096320 II Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096344 II Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096669 II Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100101456 II Annotated Anodyne COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccc(OC)cc3)cc2)cc1 ZINC000100101479 II Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000100101581 II Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(OC)cc(OC)c3)cc2)cc1 ZINC000100101635 II Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cc(OC)cc(OC)c3)cc2)cc1 ZINC000100101637 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101716 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101721 II Annotated Anodyne COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccc(OC)cc3)cc2)cc1 ZINC000100101792 II Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CBr)[C@@H]1c1ccccc1 ZINC000100102352 II Annotated Unstable Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000100106534 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000100106656 II Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cc(OC)cc(OC)c5)C[C@@H]3N4)cc2)cc1 ZINC000100106738 II Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cc(OC)cc(OC)c5)C[C@@H]3N4)cc2)cc1 ZINC000100106739 II Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cccc(OC)c3)cc2)cc(OC)c1 ZINC000100106864 II Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccc(OC)c3)cc2)cc(OC)c1 ZINC000100106867 II Annotated Anodyne COc1cc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1 ZINC000100107050 II Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100107180 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100107816 II Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1 ZINC000100108016 II Annotated Mild COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1 ZINC000100108019 II Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100109025 II Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100109029 II Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100109217 II Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100109220 II Annotated Anodyne COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(OC)cc3)cc2)cc1 ZINC000100109400 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100113806 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100114317 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000100124168 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3ccncc3)CCCCN21 ZINC000100124485 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000100128863 II Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000100131660 II Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000100131667 II Annotated Anodyne COc1cccc(CN2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5cccnc5)cc4)[C@H]3C2)c1 ZINC000100133765 II Annotated Anodyne COc1cccc(CN2CCCCN3[C@H](C2)[C@H](c2ccc(-c4cccnc4)cc2)[C@@H]3CO)c1 ZINC000100133785 II Annotated Anodyne Cc1cccc(C(=O)N[C@@H]2C[C@H](n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1 ZINC000100253784 II Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(F)cc3)oc12 ZINC000100270101 II Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(F)cc3)oc12 ZINC000100270105 II Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(F)cc3)oc12 ZINC000100270110 II Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(F)cc3)oc12 ZINC000100270115 II Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccc(Oc3ccccc3)c2)[C@@H]1C(=O)c1ccco1 ZINC000100276015 II Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2cccc(Oc3ccccc3)c2)[C@@H]1C(=O)c1ccco1 ZINC000100276019 II Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccc(Oc3ccccc3)c2)[C@H]1C(=O)c1ccco1 ZINC000100276022 II Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2cccc(Oc3ccccc3)c2)[C@H]1C(=O)c1ccco1 ZINC000100276023 II Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000100286600 II Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000100286604 II Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000100286607 II Annotated Anodyne NC(=O)O[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100420039 II Annotated Anodyne CCN1CCN(c2cc3[nH]c(C(=O)[C@@]4(CC)CC[C@](C)(O)CC4)nc3cc2Cl)CC1 ZINC000100423323 II Annotated Anodyne Cc1ccc(-n2c(O)cc(=O)nc2SCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 ZINC000100491945 II Annotated Anodyne Cc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2ccc3c4c(cccc24)CC3)nc1=O ZINC000100507488 II Annotated Anodyne CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(CNc3ccc4c(c3)OCCO4)cc1-2 ZINC000100518235 II Annotated Anodyne CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000100524385 II Annotated Anodyne O=C1c2ccccc2N/C(=C\N2CCOCC2)N1Cc1nc(-c2ccccc2F)cs1 ZINC000100534261 II Annotated Anodyne O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1c1ccc(F)cc1)NCc1ccco1 ZINC000100549714 II Annotated Anodyne O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1C(F)(F)F ZINC000100556959 II Annotated Anodyne O=C(CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1C(F)(F)F ZINC000100556965 II Annotated Anodyne COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000100563296 II Annotated Anodyne CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(CNC(=O)N3c4ccccc4CCc4ccccc43)nn1)C2 ZINC000100597553 II Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc2c(c1)CC=N2 ZINC000100623475 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5ccncc5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632979 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5ccncc5)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632982 II Annotated Anodyne COCCN1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 ZINC000100633047 II Annotated Anodyne COCCN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 ZINC000100633049 II Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1C ZINC000100633376 II Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1C ZINC000100633379 II Annotated Anodyne [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3cc(OC)c4c(c3)c3c(n4C)C[C@@H]4CC[C@@H]3N4)c2c1 ZINC000100633464 II Annotated Anodyne [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3cc(OC)c4c(c3)c3c(n4C)C[C@H]4CC[C@H]3N4)c2c1 ZINC000100633469 II Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)CC(F)(F)F ZINC000100636863 II Annotated Anodyne O=C(CC1CCC1)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636887 II Annotated Anodyne COCCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1 ZINC000100636957 II Annotated Anodyne COCCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1 ZINC000100636980 II Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1 ZINC000100637002 II Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](N)C[C@H](N)C3)n2)c1F ZINC000100637696 II Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c([C@@H]3CC[C@H](O)CC3)n2)C1 ZINC000100637754 II Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c([C@@H]3CC[C@@H](O)CC3)n2)C1 ZINC000100637755 II Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000100640009 II Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000100640010 II Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000100640013 II Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000100640014 II Annotated Anodyne O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc4c(cc31)OCO4)c1ccccc1CO2 ZINC000100641908 II Annotated Anodyne O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C(=O)N2c3ccccc3Sc3cccc1c32 ZINC000100658479 II Annotated Anodyne O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C(=O)N2c3ccccc3Sc3cccc1c32 ZINC000100658483 II Annotated Anodyne CS(=O)(=O)Nc1cccc([C@]23CCC[C@@H](C2)N(CCCC2(O)CCCCC2)CC3)c1 ZINC000100658895 II Annotated Anodyne CS(=O)(=O)Nc1cccc([C@@]23CCC[C@H](C2)N(CCCC2(O)CCCCC2)CC3)c1 ZINC000100658897 II Annotated Anodyne COc1cc(CNc2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)ccc1OC(C)C ZINC000100695441 II Annotated Anodyne Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2)no1 ZINC000100705343 II Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705366 II Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000100705462 II Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)NCc1ccco1 ZINC000100705521 II Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705532 II Annotated Anodyne Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)no1 ZINC000100705804 II Annotated Anodyne C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@H](OC(=O)/C(C)=C/C)CC[C@H]1C)[C@H]2OC(=O)/C(C)=C/C ZINC000100777973 II Annotated Mild in-man endogenous C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]2OC(=O)/C(C)=C/C ZINC000100777976 II Annotated Mild in-man endogenous C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000100777978 II Annotated Mild in-man endogenous CC(C)=CC[C@]12C[C@H](C(C)(C)O)OC1=C(C[C@@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000100783201 II Annotated Mild in-man endogenous CC(C)=CC[C@@]12C[C@H](C(C)(C)O)OC1=C(C[C@@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000100783202 II Annotated Mild in-man endogenous CC(C)=CC[C@]12C[C@@H](C(C)(C)O)OC1=C(C[C@@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000100783204 II Annotated Mild in-man endogenous CC(C)=CC[C@@]12C[C@@H](C(C)(C)O)OC1=C(C[C@@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000100783206 II Annotated Mild in-man endogenous CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829576 II Annotated Mild in-man CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829577 II Annotated Mild in-man CC(C)(O)[C@@H]1O[C@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829580 II Annotated Mild in-man CC(C)(O)[C@H]1O[C@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829581 II Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000100829599 II Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000100829600 II Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000100829603 II Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000100829604 II Annotated Mild in-man C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)[C@H](C)CC ZINC000100829849 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)[C@@H](C)CC ZINC000100829850 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)[C@H](C)CC ZINC000100829851 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)[C@@H](C)CC ZINC000100829852 II Annotated Anodyne in-man COc1ccc(CO[C@]2(C)CC[C@H]3C[C@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 ZINC000100834519 II Annotated Reactive COc1ccc(CO[C@@]2(C)CC[C@H]3C[C@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 ZINC000100834521 II Annotated Reactive CO[C@]12C=C[C@@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000100860460 II Annotated Anodyne CO[C@@]12C=C[C@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000100860462 II Annotated Anodyne CO[C@@]12C=C[C@@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000100860465 II Annotated Anodyne CC1=C(NCCCC/N=C2/C(=O)c3ccccc3C(O)=C2C)C(=O)c2ccccc2C1=O ZINC000100872224 II Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100883910 II Annotated Mild CCCCCCOC[C@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100883916 II Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100883919 II Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000100899843 II Annotated Mild in-vitro CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000100899845 II Annotated Mild in-vitro CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@@H]([C@@H](O)c2ccc(O)cc2)C1=O ZINC000100899848 II Annotated Mild in-vitro CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@H]([C@@H](O)c2ccc(O)cc2)C1=O ZINC000100899849 II Annotated Mild in-vitro O=C(Nc1ccc(Br)cc1)[C@H]1C(=O)N[C@]23CCCC[C@H]2[C@@H]1c1ccccc1O3 ZINC000100901376 II Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000100901380 II Annotated Anodyne CC(=O)CCC(=O)OCC[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 ZINC000100935387 II Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100936373 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100936379 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100936383 II Annotated Mild O=C(SCCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1 ZINC000100971834 II Annotated Anodyne O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@H](C2)N1S(=O)(=O)Cc1ccccc1 ZINC000100971836 II Annotated Anodyne O=C1C[C@H](SCCO)/C(=C/C#Cc2ccccc2)[C@H]1[C@H](SCCO)c1ccccc1 ZINC000100976148 II Annotated Anodyne O=C1C[C@H](SCCO)/C(=C/C#Cc2ccccc2)[C@@H]1[C@H](SCCO)c1ccccc1 ZINC000100976158 II Annotated Anodyne O=C1C[C@H](SCCO)/C(=C\C#Cc2ccccc2)[C@@H]1[C@H](SCCO)c1ccccc1 ZINC000100980243 II Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)NC2CCCCC2)[C@@]13C(=O)O ZINC000100984816 II Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)NC2CCCCC2)[C@@]13C(=O)O ZINC000100984817 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)NC2CCCCC2)[C@@]13C(=O)O ZINC000100984821 II Annotated Mild COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1cccc(C(F)(F)F)c1)C3)CO2 ZINC000100984918 II Annotated Anodyne O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c(O)[nH]c3ccc4ncsc4c23)cc1 ZINC000100992764 II Annotated Mild in-vivo CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000100992896 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000100992904 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OC[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000100992906 II Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cncnc2)cc1 ZINC000101020443 II Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cncnc2)cc1 ZINC000101020446 II Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cnccn2)cc1 ZINC000101022593 II Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cnccn2)cc1 ZINC000101022600 II Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000101028427 II Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000101028433 II Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)[C@@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)CC1 ZINC000101035172 II Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)CC1 ZINC000101035175 II Annotated Anodyne CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@@H]1C1CCCCC1 ZINC000101038234 II Annotated Anodyne CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(C)c(C)c4)cc3)C(=O)[C@H]2C1 ZINC000101039378 II Annotated Anodyne CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(C)c(C)c4)cc3)C(=O)[C@H]2C1 ZINC000101039381 II Annotated Anodyne CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(C)c(C)c4)cc3)C(=O)[C@@H]2C1 ZINC000101039384 II Annotated Anodyne CN1CCN(C(=O)NCc2cccc(-c3cccc(-c4cc5c[nH]ccc-5n4)c3O)c2)CC1 ZINC000101046878 II Annotated Anodyne CCCC(=O)C1=C(O)C(CC2=C(O)C(C(=O)CC)=C(O)C(C)(C)C2=O)=C(O)C(C)(C)C1=O ZINC000101094421 II Annotated Mild COC/C=C(\C)CC[C@]1(C)C2=C(CC[C@H]1C)[C@]1(C)CC[C@@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1 ZINC000101096226 II Annotated Anodyne COC/C=C(\C)CC[C@]1(C)C2=C(CC[C@H]1C)[C@@]1(C)CC[C@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1 ZINC000101096230 II Annotated Anodyne CC1=NOC(=O)[C@@H]1[C@H](c1cccc(Br)c1)c1c(C)nn(-c2ccccc2)c1O ZINC000101100063 II Annotated Mild CC1=NOC(=O)[C@@H]1[C@@H](c1cccc(Br)c1)c1c(C)nn(-c2ccccc2)c1O ZINC000101100065 II Annotated Mild CC1=NOC(=O)[C@H]1[C@H](c1cccc(Br)c1)c1c(C)nn(-c2ccccc2)c1O ZINC000101100066 II Annotated Mild CC1=NOC(=O)[C@H]1[C@@H](c1cccc(Br)c1)c1c(C)nn(-c2ccccc2)c1O ZINC000101100068 II Annotated Mild COc1ccc(N2CC(c3ccc([N+](=O)[O-])cc3)=[N+]([O-])[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000101116345 II Annotated Clean COC(=O)C(=C[C@]1(C)C[C@H]2C=C[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000101135379 II Annotated Anodyne COC(=O)C(=C[C@]1(C)C[C@H]2C=C[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000101135381 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101142820 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101142824 II Annotated Anodyne C[C@@H]1CC/C(=N\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000101177252 II Annotated Mild C[C@H]1CC/C(=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000101177258 II Annotated Mild CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N(C)[C@H]2[C@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000101256471 II Annotated Anodyne in-vivo COC[C@H](CCOC(=O)c1ccccc1)C[C@@H](O)[C@@]12CCC[C@H]3C[C@@](OC)(CC[C@]31C)O2 ZINC000101266374 II Annotated Anodyne COC[C@H](CCOC(=O)c1ccccc1)C[C@@H](O)[C@@]12CCC[C@H]3C[C@@](OC)(CC[C@@]31C)O2 ZINC000101266381 II Annotated Anodyne COC[C@H](CCOC(=O)c1ccccc1)C[C@@H](O)[C@@]12CCC[C@@H]3C[C@@](OC)(CC[C@]31C)O2 ZINC000101266384 II Annotated Anodyne Cc1cc(C)n(-c2[nH]nc(N3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4nc2-3)n1 ZINC000101273112 II Annotated Anodyne O=C(Nc1ccc(Nc2ccc(Cl)cc2)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1 ZINC000101331134 II Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@H](CC(Cl)(C5)C3)C4)CC2)nc1 ZINC000101369409 II Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)CC2)nc1 ZINC000101369415 II Annotated Anodyne Cc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCc3ccccn3)c2)C(=O)N1 ZINC000101380482 II Annotated Anodyne Cc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cccc(C(=O)NCc3ccccn3)c2)C(=O)N1 ZINC000101380491 II Annotated Anodyne O=C(NC[C@@H]1CC[C@@H](C(=O)O)CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)sn1 ZINC000101387085 II Annotated Anodyne COC(=O)c1ccc(CN2C(=O)/C(=C/C(=O)c3cccnc3)c3c(Cl)cccc32)cc1 ZINC000101412737 II Annotated Mild COc1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@H](S(=O)(=O)c4ccccc4)[C@@H]2O3)cc1 ZINC000101414052 II Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@@H](S(=O)(=O)c4ccccc4)[C@@H]2O3)cc1 ZINC000101414058 II Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@@H]4[C@@H](C[C@H]21)[C@]4(C)[C@H]3I ZINC000101423929 II Annotated Reactive CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@H]4[C@@H](C[C@H]21)[C@]4(C)[C@H]3I ZINC000101423931 II Annotated Reactive Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000101451964 II Annotated Mild Cc1cc(NS(C)(=O)=O)ccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] ZINC000101454119 II Annotated Anodyne C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H](C)O1 ZINC000101467368 II Annotated Bother C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@H](C)O1 ZINC000101467369 II Annotated Bother C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H](C)O1 ZINC000101467371 II Annotated Bother Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)(F)F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000101471582 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)(F)F)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000101471589 II Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3C4=C(CCCC4=O)N=C4ONC(C)=C43)cc2)cc1 ZINC000101481694 II Annotated Mild COC(=O)c1ccc(COc2ccc([C@H]3C4=C(CCCC4=O)N=C4ONC(C)=C43)cc2)cc1 ZINC000101481698 II Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/O[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000101484496 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/O[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000101484501 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/O[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000101484505 II Annotated Mild O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc(Cl)c3)C2=O)cc1 ZINC000101520988 II Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000101521170 II Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000101521186 II Annotated Anodyne C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1n[nH]c2c3cc(F)ccc3nc-2n1 ZINC000101523611 II Annotated Anodyne C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1n[nH]c2c3cc(F)ccc3nc-2n1 ZINC000101523618 II Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O ZINC000101598198 II Annotated Bother CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O ZINC000101598204 II Annotated Bother C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000101623721 II Annotated Reactive CCOC(=O)c1cc2c(oc1=O)-c1c(c(C(=O)OCC)n(Cc3ccc(C)cc3)c1C)CC2 ZINC000101629442 II Annotated Anodyne C/C(=C/c1sc2ccccc2[n+]1CCO)C/C=C1/Sc2ccccc2N1CCO ZINC000101629703 II Annotated Anodyne CC(C)(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632096 II Annotated Mild CC(C)(C)[C@H](NC(=O)Cc1ccc(Cl)cc1)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632098 II Annotated Mild Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(OC(F)(F)F)ccc21 ZINC000101635493 II Annotated Reactive COc1ccc(/C=N/n2cnc3c4ccccc4nc-3c2O)cc1COc1ccccn1 ZINC000101660579 II Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(Cc3ccccc3)=C(O)C[C@H]1C)C2=O ZINC000101663110 II Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCC[S@@](C)=O)C1=O ZINC000101671423 II Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCC[S@](C)=O)C1=O ZINC000101671427 II Annotated Mild O=C1CC(=O)N(C2CCCC2)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101678055 II Annotated Anodyne C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)NC5CCCCC5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000101687252 II Annotated Mild O=C(NC1(c2ccccc2)CC1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000101694785 II Annotated Anodyne C[C@@H](NC(=O)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1)c1ccccc1 ZINC000101694799 II Annotated Anodyne C=CCSc1nnc(-c2ccccc2/N=C/c2c(C)nn(-c3ccccc3)c2O)c(O)n1 ZINC000101695101 II Annotated Mild COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C=N/Cc2ccncc2)cc1 ZINC000101705188 II Annotated Mild C=CCN(C/C(=N\O)c1sc(C(=O)OCC)nc1C)c1cccc(Br)c1 ZINC000101716691 II Annotated Mild COc1ccc(/C=N/OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1 ZINC000101762880 II Annotated Mild Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nc2nnc(C)c-2c1N ZINC000101779524 II Annotated Anodyne Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2F)no1 ZINC000101802271 II Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000101834140 II Annotated Clean O=C1C=Cc2ccccc2/C1=C/NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000101844437 II Annotated Mild CCO/C(O)=C1/C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000101853998 II Annotated Anodyne CCO/C(O)=C1/C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1ccccc1OC ZINC000101856488 II Annotated Anodyne CC1(C)CC(OC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC(C)(C)N1O ZINC000101870469 II Annotated Anodyne C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c3ccccc3nc-2c1O ZINC000101880632 II Annotated Mild CCSc1nnc(-c2ccccc2/N=C/c2c(C)nn(-c3ccccc3)c2O)c(O)n1 ZINC000101882551 II Annotated Mild COc1cc(-c2nc3n(n2)[C@H](c2ccncc2)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000101891104 II Annotated Anodyne COc1cc(-c2nc3n(n2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000101891109 II Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccc(OC)cc1 ZINC000101907779 II Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccc(OC)cc1 ZINC000101907784 II Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N(CC)CC ZINC000101908664 II Annotated Anodyne aggregator CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N(CC)CC ZINC000101908668 II Annotated Anodyne aggregator C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@@H]1O)C2(C)C ZINC000101913878 II Annotated Mild O=C1C([C@H]2NCCc3ccccc32)=C(O)C[C@H](c2c(F)cccc2Cl)[C@@H]1n1cncn1 ZINC000101923682 II Annotated Mild O=C1C([C@@H]2NCCc3ccccc32)=C(O)C[C@H](c2c(F)cccc2Cl)[C@@H]1n1cncn1 ZINC000101923685 II Annotated Mild O=C1C([C@H]2NCCc3ccccc32)=C(O)C[C@@H](c2c(F)cccc2Cl)[C@@H]1n1cncn1 ZINC000101923690 II Annotated Mild O=C1C([C@@H]2NCCc3ccccc32)=C(O)C[C@@H](c2c(F)cccc2Cl)[C@@H]1n1cncn1 ZINC000101923694 II Annotated Mild CCCCCCCCCCCCCCC1=C(OC)C(=O)C2=C(NCCS2(=O)=O)C1=O ZINC000101951410 II Annotated Mild O=C1[C@@H]2[C@H](C(=O)N1c1ccccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101975887 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101975893 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccncc1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101977866 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccncc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101977872 II Annotated Anodyne CCc1cc(=O)c2ccc(OC(C)C)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101993641 II Annotated Anodyne CCc1cc(=O)c2ccc(OC(C)C)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101993646 II Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H](CCOCc4ccccc4)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000102023819 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1cccnc1)C2 ZINC000102073395 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1cccnc1)C2 ZINC000102073399 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1)C2 ZINC000102082436 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccccc1)C2 ZINC000102082442 II Annotated Anodyne C/C(NNC(=O)c1ccc(C(=O)O)s1)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 ZINC000102139717 II Annotated Reactive O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1c(F)cccc1F ZINC000102153410 II Annotated Anodyne C=C(C)CN1CC[C@@]23[C@H]4C5=C(OC)C=C[C@@H]4C[C@H]1[C@]2(O)Cc1c(oc2ccccc12)[C@@H]3O5 ZINC000102184945 II Annotated Mild CC/C=C\C/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@@H](CCC(=O)OC)OC(C)=O ZINC000102185824 II Annotated Mild CCCCCC(=O)NCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000102213610 II Annotated Anodyne CCN(CC)CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@@H]23)cc1 ZINC000102218143 II Annotated Anodyne CCCCCCCCCCCCCCC1=C(OC)C(=O)C2=C(C1=O)S(=O)(=O)CCN2 ZINC000102221965 II Annotated Mild CCN(CCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)c1ccccc1 ZINC000102333772 II Annotated Anodyne COc1cccc(CNc2ncnc3sc(C(=O)N4C[C@H]5CC[C@H]4C5)c(C)c23)c1OC ZINC000102343618 II 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)CCCCC ZINC000102349081 II Annotated Mild CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccc(OC)cc1 ZINC000102371877 II Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccc(OC)cc1 ZINC000102371883 II Annotated Anodyne CCN/C=C1/C=C(/C=C/C(=O)c2ccc(O)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102419841 II Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)cc1 ZINC000102493305 II Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)cc1 ZINC000102493311 II Annotated Mild CCC/N=c1\c(NS(=O)(=O)c2ccc(Br)cc2)c(O)oc2ccccc12 ZINC000102610495 II Annotated Anodyne COc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1 ZINC000102635711 II Annotated Mild COc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1 ZINC000102635713 II Annotated Mild Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000102642013 II Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000102642015 II Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000102643421 II Annotated Anodyne Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000102643423 II Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102706734 II Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102706739 II Annotated Mild CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(N(CCCl)CCCl)cc1Cl ZINC000102800594 II Annotated Reactive CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(N(CCCl)CCCl)cc1Cl ZINC000102800596 II Annotated Reactive CC(C)CCNC(=O)[C@H](CCc1ccccc1)N/C=C1/C(=O)Nc2c(Cl)cccc21 ZINC000102814188 II Annotated Anodyne CC(C)Cn1c(O)cc(=O)nc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000102884819 II Annotated Anodyne CCc1cccc(CC)c1-n1c(O)cc(=O)nc1SCC(=O)N1CCCc2ccccc21 ZINC000102909014 II Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102909444 II Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102909448 II Annotated Mild COc1ccccc1[C@@H]1/C(=C(/O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102912358 II Annotated Mild COc1ccccc1[C@H]1/C(=C(/O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102912363 II Annotated Mild O=S(=O)(Nc1ccc2c(c1)/C(=N/O)c1ccccc1-2)c1cccc(Br)c1 ZINC000102947564 II Annotated Mild CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)cc2nc3ccccc3n2c1O ZINC000102951698 II Annotated Clean Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)cc2Cl)C1(C)C ZINC000102966632 II Annotated Mild O=C(c1ccccc1)N1[C@H]2[C@H]1[C@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@H]2O1 ZINC000102979626 II Annotated Anodyne O=C(c1ccccc1)N1[C@@H]2[C@@H]3O[C@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000102979631 II Annotated Anodyne CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1 ZINC000102985258 II Annotated Bother CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@H]3C2=O)c1 ZINC000102985263 II Annotated Bother CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1 ZINC000102985266 II Annotated Bother COc1ccc(OC)c([C@H]2N[C@H](c3cc(OC)ccc3OC)[C@H]3CC(C)C[C@H]2C3=O)c1 ZINC000103000300 II Annotated Anodyne COc1ccc([C@H]2N[C@H](c3ccc(OC)c(OC)c3)[C@H]3CC(C)C[C@H]2C3=O)cc1OC ZINC000103000305 II Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]31 ZINC000103021673 II Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]31 ZINC000103021676 II Annotated Mild COc1ccccc1Cn1c(=S)[nH]c2cc(C(=O)NCc3ccc(F)cc3)ccc2c1=O ZINC000103028216 II Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NC3CCCCC3)nc(Br)c3cccnc23)CC1 ZINC000103072505 II Annotated Anodyne C[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000103084613 II Annotated Mild CCc1[nH]c2nc(Sc3ccc4cccnc4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103087238 II Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000103095741 II Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000103095748 II Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Cl)=C(Nc1ccc(Br)cc1)C2=O ZINC000103119985 II Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Br)=C(Nc1ccc(Cl)cc1)C2=O ZINC000103123209 II Annotated Mild CCCCNC(=O)[C@@H]1C(c2ccc(OC)cc2)=Nc2ccccc2N1C(=O)c1ccncc1 ZINC000103124073 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(OC)cc2)=Nc2ccccc2N1C(=O)c1ccncc1 ZINC000103124077 II Annotated Anodyne COC(=O)c1ccc2nc3n(C)c4ccc(Br)cc4c(NCCCN)c-3c2c1 ZINC000103146978 II Annotated Bother COC(=O)c1ccc2c(c1)c(NCCCN)c1c3cc(Br)ccc3nc-1n2C ZINC000103146982 II Annotated Bother CCOC(=O)/C(=C/C(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1 ZINC000103147474 II Annotated Mild CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000103151890 II Annotated Clean CCOC(=O)/N=c1/c2c(ncn1NC(=O)OCC)NC1=C(CCCC1)[C@H]2c1ccccc1 ZINC000103157178 II Annotated Anodyne CCOC(=O)/N=c1/c2c(ncn1NC(=O)OCC)NC1=C(CCCC1)[C@@H]2c1ccccc1 ZINC000103157181 II Annotated Anodyne COc1ccc(-c2csc(/N=C3\NC(=O)/C(=C/[C@H]4C(=O)Nc5ccccc54)S3)n2)cc1 ZINC000103162842 II Annotated Mild Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4ccc(Cl)cc4)c[nH]c3c12 ZINC000103168334 II Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4ccccc4Cl)c[nH]c3c12 ZINC000103168336 II Annotated Reactive COc1ccc(-c2nnc(NC(=S)NC(=O)COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000103168458 II Annotated Anodyne CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2cccc(Br)c2)n1 ZINC000103168773 II Annotated Bother CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)C(C)C)n(C)n1 ZINC000103169583 II Annotated Mild COc1cc2c(ccc3c(CC[N+](C)(C)C)c(Br)c(O)c(OC)c32)cc1O ZINC000103169960 II Annotated Bother COc1cc2cc(C(=O)NCCCCCCO)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103171486 II Annotated Bother COc1ccccc1-c1nnc2c3c(sc4c(Br)cccc43)c(NN)nn12 ZINC000103172087 II Annotated Bother CCCCNc1nc(Nc2ccc(C#N)cc2)nc(Oc2cc(=O)n(C)c3ccccc23)n1 ZINC000103174499 II Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)C2CC2)n(C)n1 ZINC000103175103 II Annotated Mild COc1cc2cc(CN3CCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103175467 II Annotated Bother COc1cc2cc(CN3CCCC[C@@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103175476 II Annotated Bother COc1cc2cc(CN3CCCC[C@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103175481 II Annotated Bother COc1ccc([C@H]2C3=C(CCCC3)Nc3[nH]c(=S)nc(NC(N)=S)c32)cc1OC ZINC000103175685 II Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3[nH]c(=S)nc(NC(N)=S)c32)cc1OC ZINC000103175687 II Annotated Anodyne O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)N1CCCCC1 ZINC000103182099 II Annotated Anodyne Cc1cc(C)n2s/c(=N\C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)nc2n1 ZINC000103182928 II Annotated Anodyne C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2cc(C)ccc21 ZINC000103184008 II Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2cc(C)ccc21 ZINC000103184011 II Annotated Mild CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc([S@@](C)=O)cc3)cc2)c1Cl ZINC000103184380 II Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc([S@](C)=O)cc3)cc2)c1Cl ZINC000103184383 II Annotated Anodyne C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1nnc(SCC(=O)O)o1 ZINC000103184838 II Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2cccc(Cl)c2)c1 ZINC000103185132 II Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2cccc(Cl)c2)c1 ZINC000103185135 II Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2Cl)c1 ZINC000103185143 II Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Cl)c1 ZINC000103185145 II Annotated Anodyne CCCCOc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103185337 II Annotated Mild COc1ccc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000103187077 II Annotated Mild COc1cc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccccc2)ccc1O ZINC000103187154 II Annotated Mild COc1ccc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccccc2)cc1O ZINC000103187157 II Annotated Mild O=C(c1ccncc1)n1nc(-c2ccccc2[N+](=O)[O-])cc1-c1cc2ccccc2oc1=O ZINC000103187680 II Annotated Bother CN(C)c1ccc(-c2cc(-c3cc4ccccc4oc3=O)n(C(=O)c3ccncc3)n2)cc1 ZINC000103187738 II Annotated Anodyne O=C(c1ccncc1)n1nc(-c2cccc([N+](=O)[O-])c2)cc1-c1cc2ccccc2oc1=O ZINC000103187742 II Annotated Bother C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccncc1 ZINC000103187914 II Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccncc1 ZINC000103187917 II Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccncc1 ZINC000103187919 II Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccncc1 ZINC000103187921 II Annotated Anodyne CCOC(=O)c1csc(NC(=O)CSc2nc(C)c(C)n2Nc2ccc(C)cc2)n1 ZINC000103189140 II Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1cccnc1 ZINC000103191565 II Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1cccnc1 ZINC000103191567 II Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1cccnc1 ZINC000103191569 II Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1cccnc1 ZINC000103191571 II Annotated Anodyne COc1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103191810 II Annotated Reactive COc1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103191813 II Annotated Reactive CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c1C ZINC000103192291 II Annotated Anodyne CNC(=O)[C@H](OC)c1ccccc1CO/N=C(/SC)c1ccc(C(F)(F)F)cc1 ZINC000103197935 II Annotated Mild CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(/SC)c1ccc(C(F)(F)F)cc1 ZINC000103197937 II Annotated Mild C=CCOC(=O)[C@@H](Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12)C(C)C ZINC000103197970 II Annotated Mild Brc1cccc(-c2nnc(CN3CCC(n4nc5ccccc5n4)CC3)o2)c1 ZINC000103199995 II Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(Br)cc2)nn1 ZINC000103201253 II Annotated Anodyne COc1ccc(-c2cc(-c3cccs3)n(S(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000103201824 II Annotated Mild CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1F)P(=O)(OCC)OCC)SC ZINC000103202271 II Annotated Reactive CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1F)P(=O)(OCC)OCC)SC ZINC000103202272 II Annotated Reactive O=C1N(c2ccccc2)c2ncnc(N3CCCC3)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103202520 II Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCCC3)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103202523 II Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCCC3)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103202526 II Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCCC3)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103202530 II Annotated Anodyne COc1cc2cc(CN3CCCC[C@@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103203812 II Annotated Bother COc1cc2cc(CN3CCCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103203816 II Annotated Bother Cc1ccc(C(=O)CNN2C(=O)/C(=C/c3ccc(F)cc3F)N=C2c2ccc(F)cc2)cc1 ZINC000103204565 II Annotated Anodyne O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1 ZINC000103204978 II Annotated Bother O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1 ZINC000103204980 II Annotated Bother O=C(CNN1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1)c1ccccc1 ZINC000103207161 II Annotated Anodyne Cc1cc(Cl)cc(C(=O)NNCc2ccccc2F)c1NC(=O)C(C)(C)CCl ZINC000103208896 II Annotated Reactive CCOP(=O)(OCC)O/C(COc1ccccc1)=N\N=C1/C(=O)Nc2ccccc21 ZINC000103209167 II Annotated Mild CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@@H](C)c2ccc(C)cc2)CN1C ZINC000103209567 II Annotated Anodyne Cc1cc(Cl)cc(C(=O)NNCc2ccc(F)cc2)c1NC(=O)C(C)(C)CCl ZINC000103211718 II Annotated Reactive Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1F ZINC000103212324 II Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1F ZINC000103212327 II Annotated Anodyne Cc1cc(Cl)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)C(C)(C)CCl ZINC000103213385 II Annotated Reactive Cc1cc(C)c(C2=C(OC(=O)C(=O)N(C)c3ccccc3)C3(CCCC3)OC2=O)c(C)c1 ZINC000103214953 II Annotated Anodyne O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000103215614 II Annotated Bother O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000103215616 II Annotated Bother CC(C)(C)n1ncc(OCc2nnc(-c3ccc(C(F)(F)F)cc3)o2)c(Cl)c1=O ZINC000103215897 II Annotated Anodyne O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1 ZINC000103216750 II Annotated Bother O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1 ZINC000103216752 II Annotated Bother Cc1cc(C)c(C2=C(OC(=O)C(=O)N(C(C)C)C(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103217617 II Annotated Anodyne Cc1ccc(C)c(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)c1 ZINC000103219384 II Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000103219712 II Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000103219714 II Annotated Bother COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000103219719 II Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000103219721 II Annotated Bother COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103219723 II Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103219724 II Annotated Bother Cc1nn(CC(F)(F)F)c(CSC2=NOC(C)(C)C2)c1I ZINC000103220291 II Annotated Anodyne NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000103220621 II Annotated Reactive Cc1ccc(C)c(C2=C(OC(=O)Cc3ccccc3Cl)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103220652 II Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3cccc(Cl)c3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103220718 II Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(Cl)cc3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103220721 II Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(C(C)(C)C)cc2)no1)SC ZINC000103220926 II Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103221877 II Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103221881 II Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H]3C[C@H]12 ZINC000103221884 II Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H]3C[C@H]12 ZINC000103221890 II Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(F)c2)cc1F ZINC000103222031 II Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(F)c2)cc1F ZINC000103222035 II Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2)cc1F ZINC000103222386 II Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1F ZINC000103222388 II Annotated Anodyne Nn1c(Nc2ccccc2)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O ZINC000103222776 II Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2F)cc1F ZINC000103223955 II Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2F)cc1F ZINC000103223956 II Annotated Anodyne COc1ccc(C(=O)Cn2c(-c3ccccc3)c(/C=N/NC(N)=O)c3ccccc32)cc1 ZINC000103224033 II Annotated Reactive O=C(Cn1cc(CCCO)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226775 II Annotated Anodyne CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226859 II Annotated Anodyne CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226862 II Annotated Anodyne COc1ccc(CCC(=O)[C@@H](C(C)C)[C@H](O)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000103227433 II Annotated Anodyne COc1ccc(CCC(=O)[C@H](C(C)C)[C@H](O)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000103227438 II Annotated Anodyne COc1ccc(CCC(=O)[C@@H](C(C)C)[C@@H](O)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000103227442 II Annotated Anodyne COc1ccc(CCC(=O)[C@H](C(C)C)[C@@H](O)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000103227445 II Annotated Anodyne Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OC[C@@H](O)CO ZINC000103227948 II Annotated Anodyne Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OC[C@H](O)CO ZINC000103227956 II Annotated Anodyne Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1 ZINC000103228724 II Annotated Anodyne COc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 ZINC000103229550 II Annotated Reactive CCCCCCC[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231544 II Annotated Mild CCCCCCC[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231546 II Annotated Mild CS(=O)(=O)c1ccc(N2CCC(N(c3ccc(C#N)cc3)c3cccnc3)CC2)cc1 ZINC000103231643 II Annotated Mild COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(-n5ccnc5)cn4c32)cc1 ZINC000103232339 II Annotated Bother COc1ccc(CCC(=O)c2c(O)c3c(c4c2O[C@@H](C(C)(C)O)C4)OC(C)(C)C=C3)cc1 ZINC000103233414 II Annotated Anodyne COc1ccc(CCC(=O)c2c(O)c3c(c4c2O[C@H](C(C)(C)O)C4)OC(C)(C)C=C3)cc1 ZINC000103233416 II Annotated Anodyne COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)oc2-c2cncs2)cc1 ZINC000103233819 II Annotated Anodyne COc1cc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1-n1cnc(Cl)c1 ZINC000103235421 II Annotated Anodyne COc1cc(NS(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1-n1cnc(Cl)c1 ZINC000103235428 II Annotated Anodyne COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(Cl)c1 ZINC000103235433 II Annotated Anodyne Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)s1 ZINC000103238647 II Annotated Reactive Cc1ccc(-c2cs/c(=N/NC(=O)CSc3ncccn3)n2-c2ccccc2)cc1 ZINC000103238670 II Annotated Reactive C=C1CCCC(C)(C)[C@@H]1CC[C@@]1(C)c2c(O)cc3c(c2O[C@@H]1CO)C(=O)C=C(OC)C3=O ZINC000103240369 II Annotated Mild C=C1CCCC(C)(C)[C@H]1CC[C@@]1(C)c2c(O)cc3c(c2O[C@@H]1CO)C(=O)C=C(OC)C3=O ZINC000103240371 II Annotated Mild C=C1CCCC(C)(C)[C@@H]1CC[C@]1(C)c2c(O)cc3c(c2O[C@@H]1CO)C(=O)C=C(OC)C3=O ZINC000103240373 II Annotated Mild C=C1CCCC(C)(C)[C@H]1CC[C@]1(C)c2c(O)cc3c(c2O[C@@H]1CO)C(=O)C=C(OC)C3=O ZINC000103240376 II Annotated Mild Nc1c(C(=O)N2CCOCC2)sc2nc3c(c(C(F)(F)F)c12)CCc1ccccc1-3 ZINC000103241933 II Annotated Anodyne Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000103242861 II Annotated Anodyne Nc1c(C(=O)N2CCOCC2)sc2nc(-c3cccc(F)c3)cc(C(F)(F)F)c12 ZINC000103242863 II Annotated Anodyne Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3F)cc(C(F)(F)F)c12 ZINC000103242865 II Annotated Anodyne NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 ZINC000103243110 II Annotated Anodyne CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@H]1C ZINC000103245130 II Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@H]1C ZINC000103245133 II Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@@H]1C ZINC000103245135 II Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@@H]1C ZINC000103245137 II Annotated Mild Cc1nc2cc(F)ccc2c(=O)n1C(=S)NC(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000103246301 II Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1 ZINC000103247983 II Annotated Anodyne COc1ccc(-c2nc3cc(-c4csc(C(=O)NCC(C)(C)CO)c4)cnc3[nH]2)cc1 ZINC000103248083 II Annotated Anodyne C=C(C(=O)OCc1cn(Cc2ccccc2F)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248163 II Annotated Mild C=C(C(=O)OCc1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248164 II Annotated Mild C=C(C(=O)OCc1cn(Cc2ccc(F)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248167 II Annotated Mild C=C(C(=O)NCc1cn(Cc2ccccc2C)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248181 II Annotated Mild C=C(C(=O)NCc1cn(Cc2cccc(C)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248183 II Annotated Mild C=C(C(=O)NCc1cn(Cc2ccc(C)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248186 II Annotated Mild C=C(C(=O)OCc1cn(Cc2cccc(OC)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248220 II Annotated Mild C=C(C(=O)OCc1cn(Cc2ccc(OC)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248222 II Annotated Mild Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(F)cnc3Cl)c2cc1F ZINC000103249814 II Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5[nH]4)nc3)[nH]c2cc1C1=NCCN1 ZINC000103251402 II Annotated Anodyne c1cc2cc(CCCc3cc4ccc(C5=NCCCN5)cc4[nH]3)[nH]c2cc1C1=NCCCN1 ZINC000103251412 II Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5[nH]4)o3)[nH]c2cc1C1=NCCN1 ZINC000103251463 II Annotated Anodyne Cc1cc(C)nc(NC(=C(C#N)C#N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103254397 II Annotated Reactive CCN1CCN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O ZINC000103254480 II Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCN(C3CC3)C2=O)CC1 ZINC000103254484 II Annotated Anodyne O=C1C2=Cc3cc(Br)ccc3OCC2=NN1c1ccc(Br)cc1 ZINC000103257009 II Annotated Clean O=c1[nH]c2ccc(C#Cc3cccnc3)cc2c(OCC2CCNCC2)c1-c1cccs1 ZINC000103257183 II Annotated Mild Cn1c(-c2cn(-c3cccc(C(=O)O)c3)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000103258495 II Annotated Anodyne Nc1nn(Cc2cn(-c3ccccc3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261099 II Annotated Anodyne CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(CC(C)(C)C)cc12 ZINC000103263569 II Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](C2CCCCC2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265384 II Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265414 II Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2cccc(F)c2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265416 II Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ccccc2F)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265419 II Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2cccs2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265423 II Annotated Anodyne O=C(Sc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1[N+](=O)[O-] ZINC000103265427 II Annotated Clean CC(C)C[C@H]1C(=O)N[C@@H](c2ccsc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103266300 II Annotated Anodyne COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccncc34)cc2)c1O ZINC000103266514 II Annotated Clean CCOC(=O)/C=C/c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1 ZINC000103266702 II Annotated Anodyne C[C@](Br)(CBr)Cn1cc(Br)c(=O)c2ccccc21 ZINC000103266907 II Annotated Reactive C[C@@](Br)(CBr)Cn1cc(Br)c(=O)c2ccccc21 ZINC000103266909 II Annotated Reactive O=c1c([C@H](Nc2ccccc2[N+](=O)[O-])c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103267732 II Annotated Bother O=c1c([C@@H](Nc2ccccc2[N+](=O)[O-])c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103267733 II Annotated Bother CCCOc1cnc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cn1 ZINC000103268796 II Annotated Anodyne C#CCCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCCCCC#C)[C@@H]23)OCO5 ZINC000103269024 II Annotated Mild CCc1ccc(OCc2cn(-c3cc(=O)oc4ccc(Br)cc34)nn2)cc1 ZINC000103271622 II Annotated Anodyne O=[N+]([O-])c1cnc2ccc(Br)cc2c1-n1cc(COc2ccccc2)nn1 ZINC000103271670 II Annotated Bother Cc1ccc(-c2c3cc(N)ccc3c3ccc(Nc4cc(C)[n+](C)c(N)n4)cc3[n+]2C)cc1 ZINC000103271744 II Annotated Bother CCOC(=O)/N=c1/sc(I)cn1-c1cccc(C(F)(F)F)c1 ZINC000103272198 II Annotated Anodyne O=C(Cc1nc2ccccc2[nH]c1=O)Nn1c(-c2ccc(Cl)cc2)csc1=S ZINC000103272701 II Annotated Anodyne Cc1nn(C)cc1-c1nc2c(Oc3ccc(C(=O)N4CCCC4)cc3)c(Cl)cnc2[nH]1 ZINC000103275413 II Annotated Anodyne Cc1nn(C)cc1-c1nc2c(Oc3ccc(C(=O)NC4CCC4)cc3)c(Cl)cnc2[nH]1 ZINC000103275415 II Annotated Anodyne COc1cc(N2C(=O)C[C@H](C3c4ccccc4-c4ccccc43)C2=O)cc(OC)c1OC ZINC000103278093 II Annotated Anodyne COc1cc(N2C(=O)C[C@@H](C3c4ccccc4-c4ccccc43)C2=O)cc(OC)c1OC ZINC000103278095 II Annotated Anodyne CCOC(=O)CCN(CCc1ccc(Br)cc1)Cc1ccc(OC)c(O)c1 ZINC000103278913 II Annotated Anodyne CC(C)(C)C(Br)(Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278954 II Annotated Anodyne CC(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]13)[C@@H]6C=C(C)C ZINC000103279288 II Annotated Anodyne O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)Nc1ccon1 ZINC000103280424 II Annotated Clean CC(=O)N(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)c1cc(OC(C)C)nn1C ZINC000103280434 II Annotated Mild CC(=O)N(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)c1cc(CC(C)C)nn1C ZINC000103280547 II Annotated Mild NC(=O)c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 ZINC000103282319 II Annotated Bother O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl ZINC000103284642 II Annotated Reactive O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl ZINC000103284645 II Annotated Reactive O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@H](Cl)[C@H]1Cl ZINC000103284648 II Annotated Reactive O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl ZINC000103284650 II Annotated Reactive O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl ZINC000103284653 II Annotated Reactive O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl ZINC000103284656 II Annotated Reactive O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@H](Cl)[C@H]1Cl ZINC000103284660 II Annotated Reactive O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl ZINC000103284662 II Annotated Reactive O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@H](Cl)[C@@H]1Cl ZINC000103284665 II Annotated Reactive O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl ZINC000103284667 II Annotated Reactive O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@H](Cl)[C@H]1Cl ZINC000103284669 II Annotated Reactive O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@@H](Cl)[C@H]1Cl ZINC000103284670 II Annotated Reactive CCOC(=O)c1sc(-c2ccncc2)nc1N1CCC(NCc2ccc(F)cc2)CC1 ZINC000103285849 II Annotated Anodyne CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC(NCc2ccc(F)cc2)CC1 ZINC000103285866 II Annotated Anodyne C/C(=N\NC(=O)/C(C#N)=N/Nc1ccc(C)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291526 II Annotated Reactive Cc1ccnc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4Cl)ccc32)c1 ZINC000103292374 II Annotated Anodyne O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000103293228 II Annotated Anodyne O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000103293231 II Annotated Anodyne CCOCCc1ccc(OCCN(C(=O)CC)C(=O)c2cc(C(C)(C)C)nn2C)c(C)c1 ZINC000103294521 II Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000103295078 II Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000103295081 II Annotated Anodyne O=C1[C@@H]([C@H](O)c2ccc3c(c2)OCCO3)Cc2ccccc2N1C/C=C/c1ccccc1 ZINC000103295579 II Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)Cc2ccccc2N1C/C=C/c1ccccc1 ZINC000103295584 II Annotated Anodyne O=C1[C@@H]([C@@H](O)c2ccc3c(c2)OCCO3)Cc2ccccc2N1C/C=C/c1ccccc1 ZINC000103295587 II Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccc3c(c2)OCCO3)Cc2ccccc2N1C/C=C/c1ccccc1 ZINC000103295593 II Annotated Anodyne C=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(Br)cc4F)c23)C1 ZINC000103297804 II Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1-c1cnco1 ZINC000103298598 II Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1-c1cnco1 ZINC000103298602 II Annotated Anodyne O=[N+]([O-])c1cccc([S@](=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1 ZINC000103299143 II Annotated Bother O=[N+]([O-])c1cccc([S@@](=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1 ZINC000103299146 II Annotated Bother N#Cc1ccc(F)c([S@](=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1 ZINC000103299154 II Annotated Mild N#Cc1ccc(F)c([S@@](=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1 ZINC000103299156 II Annotated Mild O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1CCC[C@H]1c1ccccc1 ZINC000103303047 II Annotated Anodyne O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1CCC[C@@H]1c1ccccc1 ZINC000103303050 II Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303054 II Annotated Anodyne N#Cc1ccc(-c2nnc3cncc(OC[C@H](OC(F)F)c4ccc(F)c(F)c4)n23)cc1 ZINC000103303141 II Annotated Mild N#Cc1ccc(-c2nnc3cncc(OC[C@@H](OC(F)F)c4ccc(F)c(F)c4)n23)cc1 ZINC000103303143 II Annotated Mild CN[C@@H](COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303332 II Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303340 II Annotated Anodyne O=C(Nc1ccc(F)cc1Cl)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303387 II Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCCS1(=O)=O)N2 ZINC000103303517 II Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCCS1(=O)=O)N2 ZINC000103303520 II Annotated Mild CNC[C@H]1C=CN(C(=N)NC2CCCCC2)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23CCC(C(=O)O)=C3C1 ZINC000103524957 II Annotated Anodyne in-vitro biogenic CCN1CCN(Cc2ccc(C3=Nc4ncnc(N[C@H](C)c5ccccc5)c4C3)cc2)CC1 ZINC000103526201 II Annotated Anodyne Cc1ccc(-n2[nH]c(C(C)(C)C)c/c2=N/C(=O)Nc2cc(COc3cccnc3)n[nH]2)cc1 ZINC000103527137 II Annotated Anodyne Cc1ccc(-n2[nH]c(C(C)(C)C)c/c2=N\C(=O)Nc2cc(COc3cccnc3)n[nH]2)cc1 ZINC000103527145 II Annotated Anodyne Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 ZINC000103529120 II Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 ZINC000103529124 II Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C(C)(C)C)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103529387 II Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C(C)(C)C)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103529392 II Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CN2CCOCC2)cs1 ZINC000103530715 II Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CN2CCOCC2)cs1 ZINC000103530718 II Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc(OC)c1OC ZINC000103530954 II Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc(OC)c1OC ZINC000103530962 II Annotated Anodyne COc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c(OC)c1OC ZINC000103531162 II Annotated Anodyne COc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c(OC)c1OC ZINC000103531167 II Annotated Anodyne COc1cc(Br)ccc1[C@@H]1/C(=C(\O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000103531571 II Annotated Anodyne COc1cc(Br)ccc1[C@H]1/C(=C(\O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000103531576 II Annotated Anodyne COc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1Br ZINC000103531631 II Annotated Anodyne COc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1Br ZINC000103531638 II Annotated Anodyne CCOc1cc(C/N=c2/c(-c3ccc(Cl)cc3)c(O)c2=O)cc(OCC)c1OCC ZINC000103536472 II Annotated Anodyne Cc1ccc(CN2c3ccsc3C(O)=C(/C=N/Cc3cccnc3)S2(=O)=O)cc1 ZINC000103537309 II Annotated Mild O=S1(=O)C(/C=N/Cc2cccnc2)=C(O)c2sccc2N1Cc1ccc(F)cc1 ZINC000103537320 II Annotated Mild COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nc3nncc-3c2O)cc1 ZINC000103538161 II Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c(OC)c1OC ZINC000103538996 II Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c(OC)c1OC ZINC000103539003 II Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)cc1OC ZINC000103539640 II Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)cc1OC ZINC000103539644 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(Br)ccc2F)C2=C(O)CCCC2=N1 ZINC000103539856 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc(Br)ccc2F)C2=C(O)CCCC2=N1 ZINC000103539858 II Annotated Anodyne O=C1CCCN1CCC/N=C/c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O ZINC000103540423 II Annotated Mild C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccco1 ZINC000103540775 II Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccco1 ZINC000103540780 II Annotated Reactive COc1ccc(-c2nn(-c3nc4ccccc4s3)c(O)c2/C=N/C[C@@H]2CCCO2)cc1 ZINC000103541660 II Annotated Mild COc1ccc(-c2nn(-c3nc4ccccc4s3)c(O)c2/C=N/C[C@H]2CCCO2)cc1 ZINC000103541667 II Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4ccc(O)cc4)nn32)cc(OC)c1OC ZINC000103541758 II Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccc(O)cc4)nn32)cc(OC)c1OC ZINC000103541763 II Annotated Anodyne CCCC(=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 ZINC000103547062 II Annotated Mild in-vitro biogenic CO/C1=C(\C(C)C)CC/C=C(/C)[C@H]2O[C@@](C)(O)[C@H]3C(=O)O/C(=C(\C)CC[C@H](C)OC1=O)[C@@H]23 ZINC000103548175 II Annotated Anodyne in-vitro biogenic COC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 ZINC000103558084 II Annotated Anodyne CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\C(=O)O)CC[C@@H]2O[C@]21C ZINC000103571664 II Annotated Anodyne in-vitro biogenic C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 ZINC000103584390 II Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 ZINC000103584393 II Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 ZINC000103584396 II Annotated Anodyne O=C(c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](CNC[C@H]1COc3ccc(Cl)cc3O1)C2 ZINC000103590297 II Annotated Anodyne investigational CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1)C(=O)N(CC)CC ZINC000103618061 II Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1)C(=O)N(CC)CC ZINC000103618063 II Annotated Anodyne Cc1cc(-n2c(SCC(=O)NC3CCCCC3)nc3nnc(C)c-3c2N)ccc1Cl ZINC000103618120 II Annotated Anodyne CCN(Cc1ccccc1)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1 ZINC000103622984 II Annotated Anodyne CCCN(CCC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(C)c1 ZINC000103623135 II Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 ZINC000103633617 II Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 ZINC000103633620 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)c(Br)c2)C2=C(O)CCCC2=N1 ZINC000103646318 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)c(Br)c2)C2=C(O)CCCC2=N1 ZINC000103646323 II Annotated Anodyne CCC/N=c1\c(/N=C(\O)NC2(CC(=O)OCC)CCCCC2)c(O)oc2ccccc12 ZINC000103654944 II Annotated Mild CCC/N=c1\c(N/C(O)=N/CC2CCC(C(=O)OCC)CC2)c(O)oc2ccccc12 ZINC000103655173 II Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)ccc1OCC#N ZINC000103707982 II Annotated Mild CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)ccc1OCC#N ZINC000103707987 II Annotated Mild COc1cc2nc(=S)n3[nH]c(COc4ccccc4Br)nc3c2cc1OC ZINC000103763032 II Annotated Anodyne COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCc2ccc(F)cc2)cc1 ZINC000103764757 II Annotated Clean COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCc2ccccc2)cc1 ZINC000103764764 II Annotated Clean Cc1cc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2c2ccc(F)cc2)no1 ZINC000103814286 II Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000103866178 II Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000103866182 II Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103866557 II Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103866561 II Annotated Mild Cc1ccc(C(=O)CN2/C(=C(\O)c3ccccc3)C(=O)c3ccccc3S2(=O)=O)c(C)c1 ZINC000103868455 II Annotated Mild CC1(C)CC2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)[C@@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000103881228 II Annotated Anodyne CC1(C)CC2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)[C@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000103881235 II Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(-c3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103881860 II Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103881865 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(OC(F)(F)F)cc2)C2=C(O)CCCC2=N1 ZINC000103887238 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(OC(F)(F)F)cc2)C2=C(O)CCCC2=N1 ZINC000103887242 II Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)ccc1OC(C)=O ZINC000103896934 II Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)ccc1OC(C)=O ZINC000103896937 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000103897433 II Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000103897437 II Annotated Anodyne O/C(CSc1nc2nncc-2c(O)n1-c1ccccc1)=N\Cc1cccc(Cl)c1 ZINC000103903548 II Annotated Anodyne CN(C)c1ccc([C@@H]2C/C(=C3/C(=O)Oc4ccccc4C3=O)NN2c2ccccc2)cc1 ZINC000103915851 II Annotated Mild CN(C)c1ccc([C@H]2C/C(=C3/C(=O)Oc4ccccc4C3=O)NN2c2ccccc2)cc1 ZINC000103915857 II Annotated Mild O=C1C=C/C(=N/Nc2ccc([N+](=O)[O-])cc2Cl)C=C1C(=O)Nc1cccc(Cl)c1 ZINC000103916575 II Annotated Mild O=C(c1ccc2c(=O)n(CCc3c[nH]c4ccccc34)c(S)nc2c1)N1CCCCC1 ZINC000103936236 II Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)NCc1cccs1 ZINC000103976128 II Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)Nc1ccccc1F ZINC000103976283 II Annotated Anodyne CN(N/C=C1\C=Nc2ccccc21)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl ZINC000103979963 II Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992874 II Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992878 II Annotated Mild C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103993862 II Annotated Mild C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103993866 II Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000103993900 II Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000103993906 II Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103994194 II Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103994202 II Annotated Mild CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000103995581 II Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000103995586 II Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)ccc1O ZINC000103995590 II Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)ccc1O ZINC000103995594 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000103996819 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000103996824 II Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000103997603 II Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000103997608 II Annotated Mild COc1ccc([C@@H]2C/C(=C3/C(=O)Oc4ccccc4C3=O)NN2c2ccccc2)cc1OC ZINC000104004500 II Annotated Mild COc1ccc([C@H]2C/C(=C3/C(=O)Oc4ccccc4C3=O)NN2c2ccccc2)cc1OC ZINC000104004503 II Annotated Mild CC1=C2C(=NC(=O)N(c3ccccc3)[C@]23C(=O)N(C)c2ccccc23)N(c2ccccc2)N1 ZINC000104012604 II Annotated Anodyne CC1=C2C(=NC(=O)N(c3ccccc3)[C@@]23C(=O)N(C)c2ccccc23)N(c2ccccc2)N1 ZINC000104012610 II Annotated Anodyne COc1ccc(C(C)=O)cc1CSC1=NN/C(=C2/C=CC=CC2=O)N1c1ccccc1 ZINC000104023288 II Annotated Mild COc1cc2c(cc1OC)[C@@]1(N=C3C2=C(C)NN3c2ccccc2)C(=O)Nc2ccccc21 ZINC000104034301 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N=C3C2=C(C)NN3c2ccccc2)C(=O)Nc2ccccc21 ZINC000104034308 II Annotated Anodyne CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)[C@H]2c2ccncc2)cc1C ZINC000104036051 II Annotated Mild CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)[C@@H]2c2ccncc2)cc1C ZINC000104036054 II Annotated Mild CC1(C)CC2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)[C@@H](c3ccccc3)C2=C(O)C1 ZINC000104037061 II Annotated Anodyne CC1(C)CC2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)[C@H](c3ccccc3)C2=C(O)C1 ZINC000104037067 II Annotated Anodyne CC1=C2C(=NC(=O)CS[C@H]2c2ccc(OC(C)C)cc2)N([C@@H]2CCOC(C)(C)C2)N1 ZINC000104045579 II Annotated Anodyne CC1=C2C(=NC(=O)CS[C@@H]2c2ccc(OC(C)C)cc2)N([C@@H]2CCOC(C)(C)C2)N1 ZINC000104045583 II Annotated Anodyne CC1=C2C(=NC(=O)CS[C@H]2c2ccc(OC(C)C)cc2)N([C@H]2CCOC(C)(C)C2)N1 ZINC000104045587 II Annotated Anodyne CC1=C2C(=NC(=O)CS[C@@H]2c2ccc(OC(C)C)cc2)N([C@H]2CCOC(C)(C)C2)N1 ZINC000104045590 II Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 ZINC000104046019 II Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 ZINC000104046024 II Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 ZINC000104046030 II Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 ZINC000104046036 II Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000104060267 II Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000104060272 II Annotated Anodyne COc1cc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)cc(OC)c1OC ZINC000104060405 II Annotated Anodyne COc1cc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)cc(OC)c1OC ZINC000104060410 II Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC ZINC000104061069 II Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC ZINC000104061075 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104071287 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104071291 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000104072063 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000104072065 II Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072885 II Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072889 II Annotated Mild CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)Cc1ccc(Br)cc1 ZINC000104099383 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000104111069 II Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000104111076 II Annotated Mild CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000104113885 II Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000104113891 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000104231859 II Annotated Anodyne C[S@](=O)(=N/C=C(/C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000104306556 II Annotated Reactive CC(C)N1CCC(N2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2CCO)CC1 ZINC000104322123 II Annotated Anodyne COc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)c(C)c1C ZINC000104361205 II Annotated Anodyne CC(C)=CC[C@@]12C[C@H](C(C)(C)O)OC1=C(C[C@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000104378429 II Annotated Mild in-man CC(C)=CC[C@]12C[C@H](C(C)(C)O)OC1=C(C[C@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000104378432 II Annotated Mild in-man endogenous CC(C)=CC[C@@]12C[C@@H](C(C)(C)O)OC1=C(C[C@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000104378434 II Annotated Mild in-man CC(C)=CC[C@]12C[C@@H](C(C)(C)O)OC1=C(C[C@H]1OC1(C)C)C(=O)C(C(=O)C(C)C)=C2O ZINC000104378439 II Annotated Mild in-man endogenous C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104495398 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104495404 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104495410 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104495414 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104581527 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104581530 II Annotated Anodyne N#Cc1c(N)oc2nnc(-c3cccnc3)c-2c1-c1c(O)[nH]c2ccc(Br)cc12 ZINC000104692017 II Annotated Mild CC1(C)CC2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)[C@@H](c3cccs3)C2=C(O)C1 ZINC000104694766 II Annotated Anodyne CC1(C)CC2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)[C@H](c3cccs3)C2=C(O)C1 ZINC000104694769 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(/N=C/c2c(C)nn(-c3ccc(C)cc3C)c2O)cc1 ZINC000104701702 II Annotated Mild Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCOCC2)c1 ZINC000105173301 II Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCOCC2)c1 ZINC000105173305 II Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175944 II Annotated Bother CCN(C)c1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175949 II Annotated Bother COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105178149 II Annotated Anodyne COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105178155 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105179617 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105179625 II Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105184821 II Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105184827 II Annotated Mild CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@@H](Br)[C@](C)(Cl)C[C@@H]3O2 ZINC000105365692 II Annotated Reactive O=C(c1ccccc1)N1[C@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000105494642 II Annotated Anodyne CCN(CC)C1CCC([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)CC1 ZINC000105518681 II Annotated Anodyne COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000105518690 II Annotated Anodyne COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000105518695 II Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1)S(C)(=O)=O ZINC000011181267 II Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000110765113 II Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000110765117 II Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000110765122 II Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000110765125 II Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000110785270 II Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000110785275 II Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000110785278 II Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000110785282 II Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C ZINC000110857416 II Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1C ZINC000110857420 II Annotated Anodyne NC(=O)c1cc(-c2cccc(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12 ZINC000113202606 II Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCC(c4ccccc4)CC3)n2)cc1 ZINC000113410692 II Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCC(c4ccccc4)CC3)n2)cc1 ZINC000113410695 II Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)N(C)Cc3nc(C)oc3C)cc2)cc1 ZINC000113413720 II Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)N(C)Cc3nc(C)oc3C)cc2)cc1 ZINC000113413723 II Annotated Mild NC(=O)c1cc(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000113655655 II Annotated Anodyne CS(=O)(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113655918 II Annotated Anodyne COCCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113656412 II Annotated Anodyne NC(=O)c1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000113657170 II Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@H](CCCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113817611 II Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@@H](CCCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113817617 II Annotated Anodyne C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O ZINC000113817640 II Annotated Anodyne in-vitro C[C@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O ZINC000113817643 II Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@](C)(CCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113819771 II Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@@](C)(CCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113821726 II Annotated Anodyne CCCNC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C ZINC000113901509 II Annotated Anodyne N[C@H]1CCN(C(=O)CN(C(=O)/C=C/c2ccccc2)c2ccc(Oc3ccccc3)cc2)C1 ZINC000114000496 II Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114097144 II Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114097146 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccncc1 ZINC000114097297 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccncc1 ZINC000114097300 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccnc1 ZINC000114099130 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccnc1 ZINC000114099132 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccn1 ZINC000114099236 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccn1 ZINC000114099238 II Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114099788 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccn1C ZINC000114100265 II Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccn1C ZINC000114100267 II Annotated Anodyne CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3ccc(C#N)cc3C(F)(F)F)ccc2F)N=C1N ZINC000114110074 II Annotated Mild CN1C(=O)C(C)(C)[C@](C)(c2cc(Nc3ccc(C#N)cc3C(F)(F)F)ccc2F)N=C1N ZINC000114110076 II Annotated Mild CC(C)c1cc(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n[nH]1 ZINC000114344301 II Annotated Anodyne C[C@@H](CC(F)(F)F)C(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1 ZINC000114344743 II Annotated Anodyne C[C@H](CC(F)(F)F)C(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1 ZINC000114344744 II Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2(C(F)(F)F)CC2)c1 ZINC000114345127 II Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2(C(F)(F)F)CC2)c1 ZINC000114345129 II Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1 ZINC000114345722 II Annotated Anodyne CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1 ZINC000114345724 II Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c[nH]c5ccccc45)c3)ncnc12 ZINC000114346767 II Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000114347266 II Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12 ZINC000114348573 II Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5cc[nH]c5c4)c3)ncnc12 ZINC000114348827 II Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccc(F)c2F)c1 ZINC000114348952 II Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5[nH]ccc45)c3)ncnc12 ZINC000114349764 II Annotated Anodyne Cc1nc(C)c(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1 ZINC000114399173 II Annotated Anodyne N#CCN(CCN1CCNC1=O)Cc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114591459 II Annotated Anodyne COCc1c(-c2nc(-c3cccc(COCCC(=O)O)c3)no2)cnn1C1CCCCC1 ZINC000114611548 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4C(=O)CCC4=O)CC3)cc12 ZINC000114710230 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCN(C)CC4)CC3)cc12 ZINC000114710494 II Annotated Anodyne N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000114710526 II Annotated Anodyne CNC(=O)COc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 ZINC000114710605 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CN4CCOCC4)nc3)cc12 ZINC000114712087 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCC(O)CC4)CC3)cc12 ZINC000114712665 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCOC4=O)CC3)cc12 ZINC000114712693 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCC(N)CC4)CC3)cc12 ZINC000114712808 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCN(C4CCOCC4)CC3)cc12 ZINC000114712943 II Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCCNCC4)CC3)cc12 ZINC000114724051 II Annotated Anodyne CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000114752050 II Annotated Bother CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000114752052 II Annotated Bother CC[C@@H](C#Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 ZINC000114764950 II Annotated Mild CC[C@H](C#Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 ZINC000114764953 II Annotated Mild FC1(F)C[C@@H]1Cn1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21 ZINC000114771476 II Annotated Anodyne FC1(F)C[C@H]1Cn1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21 ZINC000114771478 II Annotated Anodyne CC(=O)Nc1ccccc1-c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1 ZINC000114773169 II Annotated Anodyne Cc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1 ZINC000114805789 II Annotated Anodyne COc1nc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114914547 II Annotated Anodyne CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000011661508 II Annotated Anodyne Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)c1c(F)cccc1Cl)C2 ZINC000011786422 II Annotated Anodyne OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(Cc2ccsc2)CCO3)CC1 ZINC000011790387 II Annotated Anodyne Cc1ccc(CN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)cc1 ZINC000011791198 II Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)no1 ZINC000011838350 II Annotated Anodyne Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O ZINC000011933931 II Annotated Anodyne Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCN1Cc2ccccc2C1=O ZINC000011933932 II Annotated Anodyne CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000011935342 II Annotated Anodyne CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000011935343 II Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)C[C@@H](O)c4ccccc4)c3C)n2)c(C)s1 ZINC000011971040 II Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)C[C@H](O)c4ccccc4)c3C)n2)c(C)s1 ZINC000011971049 II Annotated Anodyne Cc1ccc2[nH]c(SCC(=O)NC[C@@H]3Cc4cc(-c5ncccc5C)ccc4O3)nc2c1 ZINC000011971703 II Annotated Anodyne Cc1ccc2[nH]c(SCC(=O)NC[C@H]3Cc4cc(-c5ncccc5C)ccc4O3)nc2c1 ZINC000011971715 II Annotated Anodyne COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)CCn1ccc(C)n1)C2 ZINC000011978036 II Annotated Anodyne COc1ccccc1CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccco1)[C@@H]2OC ZINC000011996470 II Annotated Anodyne Cc1ccc(C[C@@]2(CCC(=O)N[C@@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000011998273 II Annotated Anodyne Cc1ccc(C[C@]2(CCC(=O)N[C@@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000011998275 II Annotated Anodyne Cc1ccc(C[C@@]2(CCC(=O)N[C@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000011998277 II Annotated Anodyne Cc1ccc(C[C@]2(CCC(=O)N[C@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000011998278 II Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)nc4=O)cc31)CCNCC2 ZINC000115009500 II Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CNCCC2 ZINC000115012783 II Annotated Anodyne Oc1cc(CC2CCN(CCc3ccc4c(c3)[C@H](O)CCO4)CC2)ccc1Br ZINC000115368511 II Annotated Anodyne Oc1cc(CC2CCN(CCc3ccc4c(c3)[C@@H](O)CCO4)CC2)ccc1Br ZINC000115368513 II Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(F)cn2)CC1 ZINC000115456087 II Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3F)c(Cl)cn2)CC1 ZINC000115456420 II Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(F)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457261 II Annotated Anodyne Cc1ncc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000115457320 II Annotated Anodyne Cc1ncc(NCC2CCOCC2)nc1-c1cc(N[C@@H]2CC[C@@H](N)CC2)ncc1Cl ZINC000115457576 II Annotated Anodyne C[C@H](Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1C(=O)N(C)CN2)c1ccccc1 ZINC000115626619 II Annotated Anodyne Cc1[nH]c(C(=O)NCc2ccncc2)nc1-c1ccc2[nH]c(-c3nc(C(C)C)no3)cc2c1 ZINC000115833164 II Annotated Anodyne Cc1[nH]c(C(=O)NCc2ccncc2)nc1-c1ccc2[nH]c(-c3nc(C4CC4)no3)cc2c1 ZINC000115833602 II Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(C#N)cc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833700 II Annotated Mild CC(=O)N1CCC(CS(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)CC1 ZINC000115892309 II Annotated Anodyne COc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000116146266 II Annotated Anodyne O=C1OC[C@H](c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185302 II Annotated Anodyne C[C@]1(c2ccccc2)COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116187641 II Annotated Anodyne O=C1OC[C@H](C2CCCCC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116187961 II Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OCCO)c[nH]3)c2)c1 ZINC000116236045 II Annotated Anodyne CCCS(=O)(=O)Nc1cc(F)cc(-c2nc(C3CC3)[nH]c2-c2ccncn2)c1Cl ZINC000116344443 II Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2ncc(C(=O)O)s2)cn1 ZINC000116504255 II Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116825307 II Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116825310 II Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116825312 II Annotated Anodyne N[C@H]1CCCN(c2ncncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904253 II Annotated Anodyne N[C@H]1C[C@@H](O)CN(c2ccncc2Nc2cccc3ccc(-c4c(F)cccc4F)nc23)C1 ZINC000116904413 II Annotated Anodyne CC(C)(C)Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000116910984 II Annotated Anodyne CC(C)(C)Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000116910986 II Annotated Anodyne Cn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000116944259 II Annotated Anodyne Cn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000116944261 II Annotated Anodyne Cc1c(Cc2ccc(=O)n(Cc3c(F)cccc3F)c2)c2cc(F)ccc2n1CC(=O)O ZINC000117015478 II Annotated Anodyne Cc1c(Cc2ccc(=O)n(Cc3cc(F)ccc3F)c2)c2cc(F)ccc2n1CC(=O)O ZINC000117016385 II Annotated Anodyne NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(C#Cc3ccc(C(F)(F)F)cc3)nc2c1 ZINC000117139987 II Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117334114 II Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117334118 II Annotated Anodyne O=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 ZINC000117448110 II Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000117510839 II Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccc4F)nn(C)c3n2)cc1 ZINC000117512005 II Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000117512019 II Annotated Anodyne COc1ccccc1-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccc(C)cc3)ccc12 ZINC000117512480 II Annotated Anodyne Cc1cc(OCC(=O)N[C@@H](C)CCc2ccccc2)nc2c1c(-c1ccccc1)nn2C ZINC000117512550 II Annotated Anodyne Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)nc2c1c(-c1ccccc1)nn2C ZINC000117512553 II Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncc(C)s4)nn(C)c3n2)cc1 ZINC000117512651 II Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000117512798 II Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cc(C)oc4C)nn(C)c3n2)cc1 ZINC000117513312 II Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4nc(C)cs4)nn(C)c3n2)cc1 ZINC000117513513 II Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ccc(C)cn4)nn(C)c3n2)cc1 ZINC000117513570 II Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cccc(C)n4)nn(C)c3n2)cc1 ZINC000117514303 II Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ccoc4C)nn(C)c3n2)cc1 ZINC000117514999 II Annotated Anodyne CC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000117599101 II Annotated Anodyne O=C(O)C[C@H]1CCN(c2ccc(C(=O)NC3CCCCC3)c(SC3CCCC3)n2)C1 ZINC000117662909 II Annotated Anodyne CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)N1CCC(F)(F)CC1 ZINC000117677775 II Annotated Anodyne Clc1nccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c12 ZINC000117686763 II Annotated Anodyne CCCN(C)c1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)N(C)C1CCCCC1 ZINC000117755762 II Annotated Anodyne CC(C)CCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000117764105 II Annotated Anodyne CCc1nn(Cc2cnn(CC3CC3)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117878747 II Annotated Anodyne CCc1nn(Cc2ccc(C)nc2OC)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117879980 II Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(O)ccn45)cccc32)n1 ZINC000117884016 II Annotated Anodyne CCOc1cccc(Cn2nc(CC)c3c(NC(=O)c4cnc5ccccn45)cccc32)n1 ZINC000117888628 II Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4ccc(C#N)cn34)c12 ZINC000117895076 II Annotated Mild O=C1CNCC2=C1[C@H](c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)c1c[nH]nc1N2 ZINC000118042670 II Annotated Mild O=C1CNCC2=C1[C@@H](c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)c1c[nH]nc1N2 ZINC000118042674 II Annotated Mild O=C1CNCC2=C1[C@H](c1cccc(Oc3ccc(Cl)c(Cl)c3)c1)c1c[nH]nc1N2 ZINC000118046228 II Annotated Mild O=C1CNCC2=C1[C@@H](c1cccc(Oc3ccc(Cl)c(Cl)c3)c1)c1c[nH]nc1N2 ZINC000118046231 II Annotated Mild Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21 ZINC000118095235 II Annotated Clean CN(C)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 ZINC000118528015 II Annotated Mild Cc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1 ZINC000118537755 II Annotated Mild COc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 ZINC000118540644 II Annotated Mild O=C1Cc2cc(-c3csc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1 ZINC000118599931 II Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(-c3ccnc(F)c3)cc12 ZINC000118745238 II Annotated Anodyne in-vitro Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(CC3CCOCC3)n2n1 ZINC000118824135 II Annotated Anodyne Cc1nc2c(C)cccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 ZINC000118910243 II Annotated Anodyne C[C@]12CC[C@@H](S(=O)(=O)O)C[C@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118915227 II Annotated Anodyne in-man C[C@]12CC[C@@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118915228 II Annotated Anodyne in-man C[C@]12CC[C@H](S(=O)(=O)O)C[C@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118915229 II Annotated Anodyne in-man C[C@]12CC[C@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118915230 II Annotated Anodyne in-man C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000118916784 II Annotated Mild C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000118916785 II Annotated Mild C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000118916786 II Annotated Mild C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000118916787 II Annotated Mild CCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118922487 II Annotated Mild CCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118922489 II Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118930306 II Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118930307 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2C=C[C@@]3(C)[C@@H]([C@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118933022 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2C=C[C@@]3(C)[C@@H]([C@@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118933025 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2C=C[C@@]3(C)[C@@H]([C@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118933026 II Annotated Mild COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2nc1N1CCC(O)CC1)C1CC1 ZINC000012020784 II Annotated Anodyne COc1cc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCCN(C)C4)n3)s2)ccc1F ZINC000012028247 II Annotated Anodyne COc1cc(CNc2nc(C)c(-c3ccn(C[C@H]4CCCN(C)C4)n3)s2)ccc1F ZINC000012028251 II Annotated Anodyne COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2c(C)noc2C)O3)c1 ZINC000012029034 II Annotated Anodyne COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2c(C)noc2C)O3)c1 ZINC000012029040 II Annotated Anodyne Cc1ccc(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)o1 ZINC000012030244 II Annotated Anodyne COc1ccc2cc(CNCc3ccccc3Cl)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000012047728 II Annotated Anodyne COc1ccc2cc(CNCc3ccccc3Cl)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000012047731 II Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c2C2CC2)n1 ZINC000012047934 II Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)[C@H](C)c3ccon3)c2C2CC2)n1 ZINC000012047935 II Annotated Anodyne C[C@H](c1ccon1)N(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000012048777 II Annotated Anodyne C[C@@H](c1ccon1)N(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000012048779 II Annotated Anodyne Cc1cc(CNC(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C2CC2)on1 ZINC000012049232 II Annotated Anodyne C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)c3sc(NC(=O)c4c(F)cccc4Cl)nc3C2)C1 ZINC000012056914 II Annotated Anodyne C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)c3sc(NC(=O)c4c(F)cccc4Cl)nc3C2)C1 ZINC000012056915 II Annotated Anodyne C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)c3sc(NC(=O)c4c(F)cccc4Cl)nc3C2)C1 ZINC000012056916 II Annotated Anodyne C[C@H]1CCCN(C(=O)[C@H]2CC(=O)c3sc(NC(=O)c4c(F)cccc4Cl)nc3C2)C1 ZINC000012056917 II Annotated Anodyne COc1cc(C(=O)N(Cc2cc3ccc(C)cc3nc2N(C)C)C2CC2)cc(OC)c1OC ZINC000012077843 II Annotated Anodyne COCc1c(C(=O)N2CCC[C@@H](C)C2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012077932 II Annotated Anodyne COCc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012077934 II Annotated Anodyne COc1cccc(-n2c(SC)nnc2C2CCN(Cc3cccc(OC)c3O)CC2)c1 ZINC000012079392 II Annotated Clean CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)c1 ZINC000012130790 II Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H](C)n2nc(C)cc2C)C3)c1 ZINC000012130801 II Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)c1 ZINC000012130808 II Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H](C)n2nc(C)cc2C)C3)c1 ZINC000012130814 II Annotated Anodyne CSc1nnc(CCNC(=O)c2c(-c3ccccc3)noc2C)n1-c1ccc(F)cc1 ZINC000012152299 II Annotated Anodyne Cc1c[nH]c(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)n1 ZINC000012302621 II Annotated Anodyne Cc1cc(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)n[nH]1 ZINC000012305685 II Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)no1 ZINC000012307859 II Annotated Anodyne Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cn[nH]c3-c3ccc(F)cc3)N3CCC[C@@]23C1=O ZINC000012314183 II Annotated Anodyne COc1ccc(-c2[nH]ncc2[C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCCN24)cc1 ZINC000012317037 II Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3c[nH]cn3)[nH]c(=O)c12 ZINC000012355066 II Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCF)C1=O ZINC000012358430 II Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCF)C1=O ZINC000012358431 II Annotated Anodyne CCCSCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358434 II Annotated Anodyne CCCSCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358435 II Annotated Anodyne C[S@@](=O)(=N/C=C(/C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000012367257 II Annotated Reactive COC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)OC)c(O)c3)cc2)cc1O ZINC000012403166 II Annotated Mild COC(=O)c1cc(/N=C/c2ccc(/C=N/c3ccc(O)c(C(=O)OC)c3)cc2)ccc1O ZINC000012403168 II Annotated Mild O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000012434897 II Annotated Anodyne O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@H](OCc2cccnc2)C1 ZINC000012434898 II Annotated Anodyne COc1cccc2c1OCC(CN1CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC1)=C2 ZINC000012458655 II Annotated Anodyne Cc1cc(=O)c(C(=O)N2CCCC[C@H]2C)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000012470333 II Annotated Anodyne Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2C)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000012470339 II Annotated Anodyne COC(=O)c1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)cc([N+](=O)[O-])c1 ZINC000012474378 II Annotated Bother CCCCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCCCC ZINC000012477616 II Annotated Anodyne C=C1CCN([C@@H](CC(C)C)C(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 ZINC000012479195 II Annotated Mild COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000012479682 II Annotated Anodyne Cc1csc(N2CCC[C@@H]2c2nc3cc(C(F)(F)F)ccc3n2CCOCCO)n1 ZINC000012489959 II Annotated Anodyne Cc1csc(N2CCC[C@H]2c2nc3cc(C(F)(F)F)ccc3n2CCOCCO)n1 ZINC000012489964 II Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1c(F)cccc1F ZINC000012571077 II Annotated Anodyne COc1cccc(C[C@@]2(CO)CCCN(Cc3sc(N4CCCC4)nc3Cl)C2)c1 ZINC000012589323 II Annotated Anodyne COc1cccc(C[C@]2(CO)CCCN(Cc3sc(N4CCCC4)nc3Cl)C2)c1 ZINC000012589329 II Annotated Anodyne CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@H]2C ZINC000012670987 II Annotated Mild CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@H]2C ZINC000012670994 II Annotated Mild CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000012671000 II Annotated Mild CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@@H](C)CN[C@H]1[C@H]2C ZINC000012671006 II Annotated Mild O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1 ZINC000012716070 II Annotated Anodyne C=CCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725711 II Annotated Mild O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccnc2)=NO1 ZINC000012725782 II Annotated Anodyne O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccnc2)=NO1 ZINC000012725785 II Annotated Anodyne CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)CC)c2cccnc2)cc1 ZINC000012869666 II Annotated Anodyne CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)CC)c2cccnc2)cc1 ZINC000012869673 II Annotated Anodyne COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1 ZINC000013050913 II Annotated Mild COc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1 ZINC000013050918 II Annotated Mild O=C(OC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12)c1ccccc1 ZINC000013102321 II Annotated Anodyne O=C(OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12)c1ccccc1 ZINC000013102322 II Annotated Anodyne O=C(OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12)c1ccccc1 ZINC000013102324 II Annotated Anodyne O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cc(O)ccc1Br ZINC000013108336 II Annotated Anodyne aggregator CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc3c(c(O)c1C2=O)C=CC(C)(C)O3 ZINC000013108868 II Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc3c(c(O)c1C2=O)C=CC(C)(C)O3 ZINC000013108870 II Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@]1(O)Oc1cc3c(c(O)c1C2=O)C=CC(C)(C)O3 ZINC000013108871 II Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@]1(O)Oc1cc3c(c(O)c1C2=O)C=CC(C)(C)O3 ZINC000013108873 II Annotated Anodyne O=C1C=C/C(=C/NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)C=C1O ZINC000013110665 II Annotated Reactive O=C(NCc1ccccc1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118579 II Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118586 II Annotated Anodyne CN(N/C=C1/C=Nc2ccccc21)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl ZINC000013119041 II Annotated Anodyne O=C(CSc1nnc(SCc2ccccc2)s1)NN/C=C1\C=Nc2ccccc21 ZINC000013119325 II Annotated Reactive CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000013119345 II Annotated Reactive Cc1ccccc1OCc1nc2ccccc2c(=O)n1N/C=C1\C=NN=C1c1ccccc1 ZINC000013119347 II Annotated Anodyne CC(NNc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])=C1C=CC(=O)C=C1 ZINC000013122011 II Annotated Mild O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000013124135 II Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000013124136 II Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000013124137 II Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000013124138 II Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C)c3ccccc31)N(c1ccccc1)C(=O)N2 ZINC000013124450 II Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(C)c3ccccc31)N(c1ccccc1)C(=O)N2 ZINC000013124451 II Annotated Anodyne O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)CC(=O)Nc1ccccc1 ZINC000013125696 II Annotated Anodyne CCOc1ccccc1-c1cc(C(=O)NN/C=C2/C=CC(=O)C(OC)=C2)c2ccccc2n1 ZINC000013126171 II Annotated Reactive COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 ZINC000013132614 II Annotated Mild COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000013132635 II Annotated Mild COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000013132636 II Annotated Mild CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21 ZINC000013136153 II Annotated Reactive O=C(N/N=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1Cl ZINC000013136393 II Annotated Reactive Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000013136551 II Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000013136552 II Annotated Anodyne Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000013139623 II Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000013139624 II Annotated Anodyne O=C(C[C@@H]1SC(N/N=C\c2cccs2)=NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013142338 II Annotated Mild O=C(C[C@H]1SC(N/N=C\c2cccs2)=NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013142339 II Annotated Mild COC(=O)c1c(/N=C\N(C)C)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000013142692 II Annotated Mild O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 ZINC000013151928 II Annotated Reactive O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 ZINC000013151930 II Annotated Reactive C/C(=N/N=C(\N)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccs1 ZINC000013154809 II Annotated Mild COc1ccc(C=NNc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000013155011 II Annotated Anodyne aggregator S=C(N/N=C(/c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000013222851 II Annotated Mild Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3cc(C)c(C)o3)CC2)n1 ZINC000013238503 II Annotated Anodyne CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H](C)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000013294318 II Annotated Anodyne CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H](C)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000013294319 II Annotated Anodyne CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H](C)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000013294320 II Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c1O ZINC000013299282 II Annotated Anodyne in-vitro biogenic C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)/C(C)=C/C)[C@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000013299778 II Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000013299780 II Annotated Mild in-man C=C1COC(=O)[C@]12C[C@@]1(C)[C@H]([C@@H]2OC(=O)/C(C)=C/C)[C@H](OC(=O)/C(C)=C/C)CC[C@H]1C ZINC000013299782 II Annotated Mild in-man endogenous C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)/C(C)=C/C)CC[C@H]1C)[C@@H]2OC(=O)/C(C)=C/C ZINC000013299784 II Annotated Mild in-man endogenous CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O ZINC000013308549 II Annotated Anodyne CCCC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H](C(=O)OC)[C@H]3C(=O)OC[C@]132 ZINC000013328617 II Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)CNC4=O)C1(C)C ZINC000013367848 II Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)CNC4=O)C1(C)C ZINC000013367854 II Annotated Anodyne CC1(C)C=Cc2c(c(C[C@@H]3OC3(C)C)c3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1 ZINC000013374418 II Annotated Anodyne CC(C)(O)[C@H]1Cc2c(O)c(C(=O)c3ccccc3)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000013376308 II Annotated Anodyne CC(C)(O)[C@H]1Cc2c(c(C(=O)c3ccccc3)c(O)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000013376316 II Annotated Anodyne COc1c2c(cc3occc13)OC(=O)[C@H]1[C@@H]2[C@H]2c3c(cc4occc4c3OC)OC(=O)[C@@H]12 ZINC000013376511 II Annotated Anodyne COC(=O)c1c(OC)cc(O)c(Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)OC)c1C ZINC000013383381 II Annotated Anodyne CC(C)(O)CCc1c(-c2ccc(O)cc2O)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000013411960 II Annotated Anodyne COc1cc2oc(=O)cc(OC)c2c(C)c1-c1c(OC)cc(C)c2c(OC)cc(=O)oc12 ZINC000013437035 II Annotated Anodyne Cc1cc(C(=O)NCc2ccccc2-n2c(=O)c3c(C)onc3c3c(Cl)cccc32)no1 ZINC000013439811 II Annotated Anodyne Cc1cc(C(=O)NCc2ccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)cc2)no1 ZINC000013439813 II Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)[C@@H](C)Cl)c2C(=O)c2ccccc2Cl)C1 ZINC000013442668 II Annotated Reactive CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)Cl)c2C(=O)c2ccccc2Cl)C1 ZINC000013442670 II Annotated Reactive CC(=O)N1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442702 II Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)c3ccncc3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442704 II Annotated Anodyne CCN(CC)C(=O)N(C)c1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2 ZINC000013442712 II Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)c2cccc(Cl)c2)C1 ZINC000013442750 II Annotated Anodyne C/C(=C(\F)C(=O)Nc1ccc(-c2ccnc(C(N)=O)c2)cc1)c1ccc2ccnc(N)c2c1 ZINC000013444931 II Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2ccccn12 ZINC000013447907 II Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)nc2n1CCCCC2 ZINC000013447913 II Annotated Anodyne O=[S@](Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000013448712 II Annotated Anodyne O=[S@@](Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000013448715 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(=O)C=C(C)C ZINC000013459320 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@H]1OC(=O)C=C(C)C ZINC000013459322 II Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013459360 II Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013459364 II Annotated Anodyne COc1c(OC)c2c(c(OC)c1-c1c[nH]c3ccccc13)O[C@H]1Nc3ccccc3[C@@]21O ZINC000013462684 II Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(/C(S)=N/c3cccc(Cl)c3)CC2)=C(O)C1 ZINC000013471422 II Annotated Mild O=C(N/N=C(/Cc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000013472290 II Annotated Reactive CCOc1ccccc1-n1c(S)c(C(=O)Nc2ccc(OC)cc2)[n+]2cc(C)ccc12 ZINC000013479133 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1C ZINC000013486233 II Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1C ZINC000013486234 II Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2C[C@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1C ZINC000013486235 II Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1CC[C@H]2C[C@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1C ZINC000013486236 II Annotated Anodyne in-man COc1cc2nc(-c3ccc4c(c3)[C@@H](N(C)C)[C@H](OC)C4)cc(O)c2cc1-c1cnco1 ZINC000013487627 II Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnn(Cc3cccs3)c(=O)c2-c2ccc(F)cc2)cc1 ZINC000013487667 II Annotated Anodyne O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@@H](CN1CC[C@@H](O)C1)c1ccccc1 ZINC000013488473 II Annotated Anodyne O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@H](CN1CC[C@@H](O)C1)c1ccccc1 ZINC000013488474 II Annotated Anodyne Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cc(F)cc2F)c2ncn(C)c2n1 ZINC000013488573 II Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000013493212 II Annotated Anodyne O=C(O)Cc1ccccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23 ZINC000013493295 II Annotated Anodyne COc1ccc(/C=N/OCC(=O)/N=N\c2c(O)[nH]c3ccc(Br)cc23)cc1 ZINC000013496536 II Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@H](CCOCc4ccccc4)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000013522285 II Annotated Anodyne COC(=O)c1onc(-c2ccccc2OCc2ccc(Br)cc2)c1C(=O)OC ZINC000013536231 II Annotated Anodyne O=C(O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000013537307 II Annotated Clean COc1c(O)cc(O)c(C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)c1CC=C(C)C ZINC000013539013 II Annotated Anodyne CCCCNC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013553852 II Annotated Anodyne CCCCNC(=O)C1=Cc2ccc(OC)cc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013553853 II Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)NC(C)(C)C)=C2 ZINC000013553854 II Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)NC(C)(C)C)=C2 ZINC000013553855 II Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)N1CCCCC1)=C2 ZINC000013553858 II Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)N1CCCCC1)=C2 ZINC000013553859 II Annotated Anodyne O=C(SCCCc1ccccc1)[C@@H]1[C@H]2CC[C@H](C2)N1S(=O)(=O)Cc1ccccc1 ZINC000013554306 II Annotated Anodyne CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCc1ccc(OC)c(OC)c1 ZINC000013555122 II Annotated Mild O=C1c2cccc(Sc3ncccn3)c2C(=O)c2cccc(Sc3ncccn3)c21 ZINC000013558873 II Annotated Clean Cc1nccn1-c1ccc(COc2cc(F)cc(C3(C(=O)N(C)C)CCOCC3)c2)cc1 ZINC000013559346 II Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000013573835 II Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000013573839 II Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000013573846 II Annotated Anodyne O=C1CSCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2 ZINC000013580055 II Annotated Mild CCOCCN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2 ZINC000013580089 II Annotated Anodyne Cc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1 ZINC000013580809 II Annotated Anodyne Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1 ZINC000013580813 II Annotated Anodyne CC(C)COc1nc(N2CCCCC2)c2nc(OCC(C)C)nc(N3CCCCC3)c2n1 ZINC000013583336 II Annotated Anodyne CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O ZINC000013583410 II Annotated Anodyne CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000013583839 II Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCCO)[nH]c(=O)c12 ZINC000013585146 II Annotated Anodyne COC(=O)N1CC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 ZINC000013586637 II Annotated Anodyne CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(C#N)c3)C(=O)CCC2)cc1F ZINC000013587318 II Annotated Mild O=C1CCC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587485 II Annotated Bother O=C1CCC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587486 II Annotated Bother O=C1OCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587494 II Annotated Bother O=C1OCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587495 II Annotated Bother COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c([N+](=O)[O-])c1 ZINC000013587570 II Annotated Bother CCCCC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588838 II Annotated Mild CCCCC(C)(C)[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588839 II Annotated Mild Cc1cccc(N2CCC(NCc3c(C(=O)N4CCCCC4)nc4c(C)cccn34)CC2)c1 ZINC000013595093 II Annotated Anodyne O=C1C([C@H]2NCCc3ccccc32)=C(O)C[C@H](c2c(F)cccc2Cl)[C@H]1n1cncn1 ZINC000013598830 II Annotated Mild O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013601045 II Annotated Mild N#Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013601051 II Annotated Mild Cc1c(C(=O)NCCCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000013602510 II Annotated Anodyne O=C1c2ccccc2S(=O)(=O)N1COP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000013602808 II Annotated Anodyne COc1cc(C/N=C(\S)NCCc2ccc(Cl)cc2)ccc1OCC[N+](C)(C)C ZINC000013605009 II Annotated Mild CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2S1(=O)=O ZINC000013605521 II Annotated Anodyne CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@H]1CN(CC3CC3)CC[C@]1(c1cccc(O)c1)C2 ZINC000013606307 II Annotated Anodyne CC1(C)C[C@@H](NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000013608402 II Annotated Anodyne CC1(C)C[C@H](NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000013608406 II Annotated Anodyne COC(=O)c1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 ZINC000013610254 II Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)Nc3ccccc3)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000013634896 II Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634941 II Annotated Mild CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO ZINC000013634993 II Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)Nc3ccccc3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000013634996 II Annotated Anodyne CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013635002 II Annotated Anodyne Cc1n[nH]c(C)c1CNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 ZINC000013636535 II Annotated Anodyne O=C(c1nc2ccccn2c1CN1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCCC1 ZINC000013636934 II Annotated Anodyne O=C(c1nc2ccccn2c1CN1CCC[C@H](c2nc3ccccc3o2)C1)N1CCCC1 ZINC000013636937 II Annotated Anodyne C/C(=N\NC(=O)CC(C)C)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O ZINC000013638577 II Annotated Reactive COc1ccc2nc3c(O)n(/N=C/c4ccc(OC)c(CN5CCCC5)c4)c(C)nc-3c2c1 ZINC000013638915 II Annotated Mild COc1ccc2c3ncn(/N=C/c4ccc(OC)c(CN5CCCCC5)c4)c(O)c-3nc2c1 ZINC000013639076 II Annotated Mild COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc(OC)c1 ZINC000013648559 II Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccccc3)c(F)c2)C(=O)O1 ZINC000013648805 II Annotated Anodyne CCCCCCN(CCCCCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000013648900 II Annotated Bother CN(C(=O)/C=C/c1ccc(O)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650007 II Annotated Anodyne CN(C(=O)/C=C/c1ccc(O)c(F)c1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650008 II Annotated Anodyne CN(C(=O)/C=C/c1ccc(C#N)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650010 II Annotated Mild C#CCNC(=O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656514 II Annotated Mild CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](C2CCCCC2)[C@H]1CCCO ZINC000013656991 II Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO ZINC000013657032 II Annotated Anodyne CC(C)(C)[C@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@@H](OCc2ccc(CO)cc2)C1 ZINC000013657347 II Annotated Anodyne CC(C)[C@H](CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O)N(CCc1ccccc1)N=O ZINC000013659541 II Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@@H](CCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000013659962 II Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@H](CCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000013659964 II Annotated Anodyne C=C1CCN([C@H](C(=O)NCc2ccc(Cl)cc2)C(C)C)S(=O)(=O)c2ccccc21 ZINC000013660005 II Annotated Mild CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660490 II Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660492 II Annotated Anodyne CN1[C@@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660731 II Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660733 II Annotated Anodyne CN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661678 II Annotated Anodyne O=C1CCN(CCc2ccccc2)CCN1CCSc1ccc(Br)cc1 ZINC000013661700 II Annotated Anodyne NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662113 II Annotated Anodyne NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662141 II Annotated Anodyne CCc1cc(C(=O)O)ccc1OCCc1cnc2c(c1)C(=O)N(C)c1cccnc1N2CC ZINC000013671794 II Annotated Anodyne CCN1c2ncc(CCOc3ccc(C(=O)O)cc3C)cc2C(=O)N(C)c2ccc(C)nc21 ZINC000013671807 II Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)c4ccccc4)[C@@H]2O3)cc1 ZINC000013675741 II Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)c4ccccc4)[C@@H]2O3)cc1 ZINC000013675743 II Annotated Anodyne CC(=O)c1ccc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)cn1 ZINC000013679728 II Annotated Mild COc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)cn1 ZINC000013679743 II Annotated Anodyne COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1Sc1cc(OC)c(OC)c(OC)c1 ZINC000013680339 II Annotated Anodyne Cc1sc2nc(CSCC(=O)Nc3ccc(OC(F)F)cc3)[nH]c(=O)c2c1C ZINC000013683164 II Annotated Anodyne NC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(N)=O)[nH]c2ccccc12 ZINC000013734665 II Annotated Reactive COc1ccc(-c2nc(C(=O)N3CCCN(C)CC3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735857 II Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 ZINC000013737771 II Annotated Clean N/C(=N\CC(F)(F)F)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)O)CC3)cc2)cc1 ZINC000013739729 II Annotated Mild N/C(=N\CC(F)(F)F)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)O)CC3)cc2)cc1 ZINC000013739730 II Annotated Mild CNC(=O)c1c(SSc2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12 ZINC000013740083 II Annotated Reactive Cc1c(CCN2CCN(c3ccc(Br)cn3)CC2)c2cccc3c2n1CCC3 ZINC000013740400 II Annotated Anodyne CC(C)=CC[C@@H](OC(=O)C(Cl)(Cl)Cl)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013740802 II Annotated Mild CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000013741980 II Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccccc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000013741981 II Annotated Anodyne CN(CCOCCNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000013742420 II Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ncccc1OCc1ccccc1 ZINC000013746093 II Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ncccc1OCc1ccccc1 ZINC000013746095 II Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)CSc1ccccc1C(=O)NC(C)(C)C ZINC000013756934 II Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@H](O)CSc1ccccc1C(=O)NC(C)(C)C ZINC000013756936 II Annotated Anodyne C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@@H](C)N1C ZINC000013758943 II Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@@H](C)N1C ZINC000013758946 II Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@H](C)N1C ZINC000013758948 II Annotated Anodyne C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)C[C@@H](C)N1 ZINC000013758950 II Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)C[C@@H](C)N1 ZINC000013758954 II Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)C[C@H](C)N1 ZINC000013758956 II Annotated Anodyne COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@H](C)N(C)[C@@H](C)C2)c2ccccc2-3)cc1 ZINC000013758974 II Annotated Anodyne COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@@H](C)N(C)[C@H](C)C2)c2ccccc2-3)cc1 ZINC000013758976 II Annotated Anodyne COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)c2ccccc2-3)cc1 ZINC000013758978 II Annotated Anodyne O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1cccc([N+](=O)[O-])c1O ZINC000013761290 II Annotated Bother O=C(Cc1cccnc1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000013778915 II Annotated Anodyne O=C(Cc1cccnc1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000013778916 II Annotated Anodyne Cc1cc(OCCN(C)c2ccncc2)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000013779736 II Annotated Anodyne CCN1c2ncc(COc3cccc(C(=O)O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780565 II Annotated Anodyne CCN1c2ncc(COc3cccc([N+](=O)[O-])c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780567 II Annotated Bother CCN1c2ncc(C[S@@](=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780574 II Annotated Anodyne CCN1c2ncc(C[S@](=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780575 II Annotated Anodyne CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O ZINC000013780625 II Annotated Anodyne CC[C@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O ZINC000013780626 II Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1)C(=O)O ZINC000013781614 II Annotated Anodyne CSCC[C@@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1)C(=O)O ZINC000013781634 II Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CNCc2cccc(-n3cccn3)n2)C1 ZINC000013782318 II Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CNCc2cccc(-n3cccn3)n2)C1 ZINC000013782319 II Annotated Anodyne O=C(c1cccc(Cl)c1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013782333 II Annotated Anodyne CCN(CC)C(=O)/C=C(\C)c1ccc(OCc2c(F)cccc2F)c(OCC(=O)O)c1 ZINC000013782705 II Annotated Anodyne CCCCC#C[C@H]1C=C[C@H](Oc2cc(OC)c(OC)c(OC)c2)[C@@H](COC(=O)OCC)O1 ZINC000013782956 II Annotated Mild CCCCC#C[C@@H]1C=C[C@H](Oc2cc(OC)c(OC)c(OC)c2)[C@@H](COC(=O)OCC)O1 ZINC000013782957 II Annotated Mild CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC ZINC000013783001 II Annotated Bother CCO[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC ZINC000013783002 II Annotated Bother CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC ZINC000013783003 II Annotated Bother CCO[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC ZINC000013783004 II Annotated Bother CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@@H]1OC(=O)OCC ZINC000013783126 II Annotated Mild CCOC(=O)OC[C@H]1O[C@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@@H]1OC(=O)OCC ZINC000013783127 II Annotated Mild C[C@@H](c1ccccc1)N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1 ZINC000013794115 II Annotated Anodyne CC[C@@H](COC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794882 II Annotated Anodyne CC[C@H](COC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794885 II Annotated Anodyne COCCN(CCOC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC ZINC000013795071 II Annotated Anodyne CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO[C@@H]2CCCO2)CC1 ZINC000013797104 II Annotated Anodyne CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO[C@H]2CCCO2)CC1 ZINC000013797107 II Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CC=C(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013797284 II Annotated Anodyne CCNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C ZINC000013797300 II Annotated Anodyne O=C(CCc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013800388 II Annotated Anodyne CC(=O)Nc1ccc2c(c1)N(Cc1c[nH]cn1)CCN(C(=O)c1cccc3ccccc13)C2 ZINC000013803067 II Annotated Anodyne c1ccc(-c2ccc3c(c2)CN(c2nnnn2-c2ccccc2)CCN3Cc2c[nH]cn2)cc1 ZINC000013803092 II Annotated Anodyne CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 ZINC000013813364 II Annotated Anodyne CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813367 II Annotated Anodyne Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000013813431 II Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013813466 II Annotated Anodyne COc1ccccc1[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813716 II Annotated Anodyne aggregator CC[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813889 II Annotated Anodyne aggregator Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccccc2)c1 ZINC000013813898 II Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccccc1 ZINC000013814114 II Annotated Anodyne aggregator O=C1CCN2C(=C1C(=O)Nc1ccccc1F)N(CCc1ccccn1)c1cc(F)ccc12 ZINC000013817144 II Annotated Mild CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2cc3ccccc3cc21 ZINC000013817204 II Annotated Mild Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)c4c(c3C2)CO[C@@H](C)C4)cc1 ZINC000013817432 II Annotated Anodyne C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)Cc1cccs1)CC3 ZINC000013817458 II Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1 ZINC000013817638 II Annotated Anodyne O=C(O)C[C@@H]1CC(CNC(=O)CCCc2ccc3c(n2)NCCC3)=CCc2ccccc21 ZINC000013819514 II Annotated Anodyne O=C(O)C[C@H]1CC(CNC(=O)CCCc2ccc3c(n2)NCCC3)=CCc2ccccc21 ZINC000013819517 II Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OCCCl)c1C ZINC000013820798 II Annotated Reactive CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OCCCl)c1C ZINC000013820800 II Annotated Reactive COc1ccc2c(C(=S)N(C)CC(=O)O)cc(Br)cc2c1Br ZINC000013823544 II Annotated Anodyne COc1ccc2c(C(=O)N(C)CC(=O)O)cc(Cc3ccccc3)cc2c1Br ZINC000013823595 II Annotated Anodyne COc1ccc2c(C(=O)N(C)CC(=O)O)ccc(Cc3ccccc3)c2c1Br ZINC000013823599 II Annotated Anodyne CC(C)=CC(=O)Oc1ccc(C(=O)N(C)c2ccccc2I)cc1 ZINC000013828757 II Annotated Anodyne C/C=C1\CO[C@@](C(=O)NCc2cccc(OC)c2OC)(C(F)(F)F)C=C1C=C(C)C ZINC000013828936 II Annotated Anodyne C/C=C1\CO[C@](C(=O)NCc2cccc(OC)c2OC)(C(F)(F)F)C=C1C=C(C)C ZINC000013828938 II Annotated Anodyne CCCC[C@@H]1CCCO[C@@](C(=O)NCc2ccc(S(C)(=O)=O)cc2)(C(F)(F)F)C1 ZINC000013829020 II Annotated Anodyne C=C1CCN([C@H](CC(C)C)C(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 ZINC000013829959 II Annotated Mild CN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013830498 II Annotated Anodyne COC(=O)Cc1c(Sc2c(CC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 ZINC000013832595 II Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@H](/C=N/OCc3ccc(C)cc3)C2=O)cc1 ZINC000013858366 II Annotated Mild COc1ccc(CN2C(=O)c3ccccc3[C@@H](/C=N/OCc3ccc(C)cc3)C2=O)cc1 ZINC000013858367 II Annotated Mild Cc1nn(Cc2ccccc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864593 II Annotated Clean COCC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/c1c[nH]c2ccccc12 ZINC000013865429 II Annotated Mild Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000013878852 II Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000013878853 II Annotated Bother CCCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000013878876 II Annotated Bother CCCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000013878877 II Annotated Bother CCN(CC)[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1cccc2ccccc12 ZINC000013883581 II Annotated Anodyne COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)N(C)c1ccccc1)C2 ZINC000013904223 II Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000013904778 II Annotated Mild N#CN[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc(C(F)(F)C(F)(F)F)cc21 ZINC000013905393 II Annotated Mild CO/N=C1\[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C ZINC000013910187 II Annotated Mild N/C(=N\Cc1ccco1)c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)O)CC3)cc1 ZINC000013910586 II Annotated Mild CS(=O)(=O)Nc1cccc([C@]23CCC[C@H](C2)N(CCCC2(O)CCCCC2)CC3)c1 ZINC000013977988 II Annotated Anodyne CC[C@@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000013982685 II Annotated Anodyne CC[C@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000013982689 II Annotated Anodyne COc1ccc(N(C(=O)NCc2ccccc2C)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000013986014 II Annotated Anodyne CC[C@@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 ZINC000013986667 II Annotated Anodyne CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 ZINC000013986671 II Annotated Anodyne CCN(CC)C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000013986706 II Annotated Anodyne C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@](S)([C@@H](C)C(=O)O)CC1 ZINC000136016604 II Annotated Anodyne C[C@@H]1[C@@H]2NC[C@H](C)C[C@]2(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000136034237 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000136082418 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000136082456 II Annotated Anodyne C=C(C)[C@H](O)CC/C(C)=C/Cc1c(OC)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12 ZINC000136156630 II Annotated Mild O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl ZINC000136238908 II Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C/C[C@@H]1C[C@H](O)[C@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000136370412 II Annotated Anodyne COC(=O)c1c2ccn(CCCNC(=O)N(C)N=O)cc2c(C)c2c1nc1ccccc12 ZINC000136551131 II Annotated Reactive CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N(CC)CC ZINC000136553485 II Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N(CC)CC ZINC000136553527 II Annotated Anodyne O=C1C=CC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)=C/C1=C1/Nc2ccccc2O1 ZINC000136692426 II Annotated Mild CCCCC/C=C\C[C@@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@H](CCC(=O)OC)OC(C)=O ZINC000136693771 II Annotated Mild C=CCCCCCCCCCCCC[C@]1(O)C=CC2=[N+](CCCCN=C(N)N)CCCN21 ZINC000136770887 II Annotated Mild N[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000136993621 II Annotated Anodyne N[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000136993693 II Annotated Anodyne CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@H]3O2 ZINC000137446155 II Annotated Reactive CC(C)C/C=C/[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO ZINC000137575961 II Annotated Mild CC1(C)[C@@H]2CC(=O)O[C@]2(C)c2nc3c(cc2[C@@H]1O)C1=CC(=O)O[C@@H](c2ccoc2)[C@]1(C)CC3 ZINC000137758065 II Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=CC(=O)/C1=C/C=C/[C@H](CCC(=O)OC)OC(C)=O ZINC000137803825 II Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCCC1 ZINC000137855067 II Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCCC1 ZINC000137855165 II Annotated Anodyne CCCCCCCCCCCCCCCCCCO[C@H]1C(=O)O[C@H]([C@H](O)CO)C1=O ZINC000137865325 II Annotated Mild O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])cc2c(=O)nc(Nc3ccc(F)cc3)[nH]c12 ZINC000137948996 II Annotated Anodyne CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(C/C=C/C(C)(C)OO)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000138038623 II Annotated Reactive CC[C@@H](C)[C@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C=O)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O ZINC000138040654 II Annotated Reactive 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]1Cl ZINC000138070278 II Annotated Reactive O=C(c1cccc(-c2nncc3nc(Nc4ccc(F)cc4F)ccc23)c1)N1CCOCC1 ZINC000138205792 II 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]1Cl ZINC000138208455 II Annotated Reactive C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C\C)[C@@H]1[C@H]2OC(=O)CC(C)C ZINC000138209542 II Annotated Mild CO[C@@H]1C[C@]2(OC)O[C@@H](OC)[C@@H]3[C@H](OC(C)=O)C[C@@H](/C(C)=C\CC=C(C)C)[C@H]3[C@@H]2[C@@H]1C ZINC000138233344 II Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000138234910 II Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/O[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000138250720 II Annotated Mild Cc1cc(S(C)(=O)=O)ccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 ZINC000138254897 II Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCCC1 ZINC000138390386 II Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCCC1 ZINC000138390522 II Annotated Anodyne CO[C@@]12C[C@H]3CC[C@@H]([C@H](C)c4ccc5c(c41)C[C@H]1[C@H]5C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]41C)N2C3 ZINC000138506076 II Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@H](C[C@H](O)c2ccccc2)S1(=O)=O ZINC000138536013 II Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](C[C@H](O)c2ccccc2)S1(=O)=O ZINC000138536122 II Annotated Anodyne O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000138714559 II Annotated Reactive COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000138722167 II Annotated Anodyne CC1(C)[C@@H](Br)C[C@@H](O)[C@@]1(C)[C@@]1(O)CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000138909500 II Annotated Reactive CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000139043683 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000139043814 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000139050502 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000139050617 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)nc1)C1CC1 ZINC000139055665 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)nc1)C1CC1 ZINC000139055780 II Annotated Anodyne COc1ccc(CO[C@]2(C)CC[C@@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 ZINC000139348074 II Annotated Reactive COc1ccc(CO[C@]2(C)CC[C@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 ZINC000139348206 II Annotated Reactive Cc1ccc(Nc2ccc(Oc3ncccc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1 ZINC000139398852 II Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C#Cc4cccnc4)ccn23)c1 ZINC000139500245 II Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CO)cn4)ccn23)c1 ZINC000139548991 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cnccn1)c1ccc(C(C)(C)C)cc1 ZINC000139565724 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnccn1)c1ccc(C(C)(C)C)cc1 ZINC000139565854 II Annotated Anodyne CNc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000139583880 II Annotated Anodyne Cc1cnnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1 ZINC000139584347 II Annotated Anodyne COc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000139584502 II Annotated Anodyne COc1cncnc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139596366 II Annotated Anodyne N#Cc1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000139659784 II Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)CC(C)C)[C@@H]1[C@H]2OC(=O)CC(C)C ZINC000139671849 II Annotated Mild C[C@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000139684530 II Annotated Anodyne C[C@@H](Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000139684662 II Annotated Anodyne C[C@H](Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000139684786 II Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000139811598 II Annotated Anodyne C=C1C[C@@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@@H](C(C)C)[C@H]2[C@H]1C[C@H](OC(=O)/C(C)=C\C)[C@@H]2C(C)=O ZINC000139870785 II Annotated Mild Cc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000139919903 II Annotated Anodyne C=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C(C)=C/[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C ZINC000139980639 II Annotated Reactive C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@H](C)/C=C/[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000139981709 II Annotated Mild C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCCOCC)nc23)c1 ZINC000139998618 II Annotated Mild C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000014407608 II Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)[C@H](C)CC)[C@@H]1[C@H]2OC(=O)CC(C)C ZINC000140019932 II Annotated Mild COc1ccc(CO[C@@]2(C)CC[C@@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 ZINC000140064074 II Annotated Reactive N#Cc1cc(Cl)cc(Oc2c(CCOc3cccnc3)c[nH]c(=O)c2Br)c1 ZINC000140168291 II Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(CCOc3ccncc3)c[nH]c(=O)c2Br)c1 ZINC000140168765 II Annotated Anodyne CC1=C[C@H]([C@@H]2c3c(ccc4c3OCO4)-c3ccc4cc5c(cc4c3N2C)OCO5)OC1=O ZINC000140173254 II Annotated Anodyne CC1=C[C@H]([C@H]2c3c(ccc4c3OCO4)-c3ccc4cc5c(cc4c3N2C)OCO5)OC1=O ZINC000140173400 II Annotated Anodyne O=C(c1nc2ccccc2n1CC(F)(F)F)N1CC(c2nccnc2-c2ccccc2)C1 ZINC000140225954 II Annotated Anodyne CCN(CC)CCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 ZINC000140243373 II Annotated Anodyne C[C@@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O ZINC000140293201 II Annotated Clean CC(=O)O/C=C(/C=C/OC(C)=O)[C@H]1C[C@@H]2O[C@]2(CC/C=C(\C)CCC=C(C)C)C(=O)O1 ZINC000140387880 II Annotated Anodyne CC(=O)O/C=C/C(=C/OC(C)=O)C[C@H]1OC(=O)[C@]2(CC/C=C(\C)CCC=C(C)C)O[C@H]12 ZINC000140428919 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000140435951 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000140436129 II Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2c(F)cccc2C1 ZINC000140457133 II Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2c(F)cccc2C1 ZINC000140457294 II Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCc2c(F)cccc2C1 ZINC000140457443 II Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCc2c(F)cccc2C1 ZINC000140457617 II Annotated Mild C[C@H]1/C=C/C[C@@H]2O[C@@H]2C[C@@H](Cl)[C@H]2C[C@H](O1)[C@@H](/C(Br)=C/Br)O2 ZINC000140462820 II Annotated Reactive CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 ZINC000140602812 II Annotated Anodyne O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C4CC4)n3)cc2)C1 ZINC000140606335 II Annotated Anodyne CC(=O)O/C=C(/CCOC(C)=O)[C@H]1C[C@H]2O[C@@]2(CC/C=C(\C)CCC=C(C)C)C(=O)O1 ZINC000140614733 II Annotated Anodyne CC1=C[C@](C)(O)[C@H](C)O[C@H]1/C(C)=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C ZINC000140619275 II Annotated Anodyne CCCCCCc1cc([S@@](C)(=O)=NC(N)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 ZINC000141017493 II Annotated Bother CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(F)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000141126753 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(F)c2)[C@]12C(=O)Nc1ccccc12 ZINC000141126946 II Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2ccncc2)CCCN(C)C1 ZINC000141150064 II Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccncc2)CCCN(C)C1 ZINC000141150273 II Annotated Anodyne COc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000141168326 II Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNC3CCN(Cc4ccccc4)CC3)[C@@H]2CC1 ZINC000141173926 II Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2cccnc2)CCCN(C)C1 ZINC000141175962 II Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2cccnc2)CCCN(C)C1 ZINC000141176150 II Annotated Anodyne Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C(F)(F)F)c2)CC3)n1 ZINC000141183635 II Annotated Anodyne COc1nc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000141261410 II Annotated Anodyne CC1=C(Cc2c(O)cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2O)O3)CCC(C)(C)C1 ZINC000141301119 II Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCSCC2)cn1 ZINC000141428635 II Annotated Anodyne CNc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000141473704 II Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(C)(C)C)cs2)c(-c2cncc(C(=O)O)c2)cn1 ZINC000141493021 II Annotated Anodyne COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(N(C)C)c3)CC1)c1cccn1-2 ZINC000141776092 II Annotated Anodyne Cc1nc(NC[C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000141825073 II Annotated Anodyne Cc1nc(NC[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000141825253 II Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC(F)(F)F ZINC000141832642 II Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C)c3ccccc3N(C(=O)OC(C)(C)C)[C@H]2N1C(=O)OC(C)(C)C ZINC000141882581 II Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)C)nc2)c1F ZINC000141906477 II Annotated Anodyne COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)n1 ZINC000141937399 II Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@@H](CC(C)C)[C@H]3CNC(=O)C3)n2)cc1OC ZINC000141942007 II Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@H](CC(C)C)[C@H]3CNC(=O)C3)n2)cc1OC ZINC000141942229 II Annotated Anodyne CCCC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141942851 II Annotated Anodyne CCCC[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141943061 II Annotated Anodyne CC[C@@H](Oc1nc(-c2ccc(OC(C)C)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141952212 II Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2cc(F)ccc2C1 ZINC000141978414 II Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2cc(F)ccc2C1 ZINC000141978609 II Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCc2cc(F)ccc2C1 ZINC000141978825 II Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCc2cc(F)ccc2C1 ZINC000141979017 II Annotated Mild O=C(O)CCCOc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000142077312 II Annotated Anodyne O=C(O)CCCOc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000142077505 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)cc2)n1 ZINC000142109619 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC(C)(C)C)cc2)n1 ZINC000142112841 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC3CCOCC3)cc2)n1 ZINC000142127591 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(OC3CCOCC3)cc2)n1 ZINC000142127825 II Annotated Anodyne COc1cc(-c2nc(Nc3cccnc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000142200953 II Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3CCC(C)C)nc1 ZINC000142232022 II Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc3c2cnn3CCC(C)C)nc1 ZINC000142232722 II Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3Cc2ccccc2)nc1 ZINC000142233572 II Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc3c2cnn3Cc2ccccc2)nc1 ZINC000142235573 II Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3-c2ccccc2)nc1 ZINC000142237531 II Annotated Anodyne CCN(C(=O)c1ccc(CNc2ncnc(N3CCCCC3)n2)cc1)c1cccc(C)c1 ZINC000142378931 II Annotated Anodyne CNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142412274 II Annotated Anodyne CNC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142412455 II Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(O[C@@H](C)C(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142496160 II Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(O[C@@H](C)C(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142496385 II Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(O[C@H](C)C(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142496601 II Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(O[C@H](C)C(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142496798 II Annotated Anodyne C/C=C/[C@H](OC(C)=O)[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000142538188 II Annotated Mild CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](NC)CC2 ZINC000142587741 II Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](NC)CC2 ZINC000142587958 II Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](NC)CC2 ZINC000142588200 II Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](NC)CC2 ZINC000142588398 II Annotated Anodyne CCNC(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(Cl)cc2)c1 ZINC000142651433 II Annotated Anodyne CCNC(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(Cl)cc2)c1 ZINC000142651653 II Annotated Anodyne C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cc(N(C)C(=O)N(C)C)c1)c1cnccn1 ZINC000142655835 II Annotated Anodyne C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cc(N(C)C(=O)N(C)C)c1)c1cnccn1 ZINC000142656047 II Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@]2(CCCC3(C2)OCCO3)OC1=O ZINC000142702824 II Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@@]2(CCCC3(C2)OCCO3)OC1=O ZINC000142703026 II Annotated Anodyne CCCCCCCC[C@H]1O[C@H]1C/C=C/C=C\[C@H](O)CC(=O)NC1=C[C@](C)(CC)OC1=O ZINC000142743129 II Annotated Mild CCn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)c(OCC(F)(F)F)c3)[nH]c12 ZINC000142744884 II Annotated Anodyne CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CO)c(CC)c3)no2)cnc1CC(C)C ZINC000142837532 II Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000142864921 II Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000142865119 II Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000142865318 II Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000142865545 II Annotated Anodyne C/C(=C\Cc1c(O)ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c1O)CCCC(C)(C)O ZINC000142979563 II Annotated Anodyne N#Cc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 ZINC000143074943 II Annotated Anodyne O=C(O)CSc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O ZINC000143123156 II Annotated Clean CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(O)cc3)c2)s1 ZINC000143178041 II Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](NC)CC2 ZINC000143329552 II Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](NC)CC2 ZINC000143329758 II Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](NC)CC2 ZINC000143329965 II Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](NC)CC2 ZINC000143330166 II Annotated Anodyne C[C@@H](CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)O ZINC000143340161 II Annotated Anodyne C[C@H](CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)O ZINC000143340369 II Annotated Anodyne C[C@@H](CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)O ZINC000143340577 II Annotated Anodyne C[C@H](CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)O ZINC000143340798 II Annotated Anodyne Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(C(F)(F)F)cc3C2)c1OC1CCC1 ZINC000143349605 II Annotated Anodyne Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(C(F)(F)F)cc3C2)c1OC1CCC1 ZINC000143349805 II Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cccc43)cc2NC1=O ZINC000143368386 II Annotated Anodyne C[C@H](Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12)c1ccccc1 ZINC000143411996 II Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc43)cc2NC1=O ZINC000143414362 II Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc43)cc21 ZINC000143444745 II Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cccc43)cc21 ZINC000143463810 II Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4nc(C(F)(F)F)ccc43)cc21 ZINC000143488297 II Annotated Anodyne O=C(O)CCCOc1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143497942 II Annotated Anodyne O=C(O)CCCOc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143498147 II Annotated Anodyne NC(=O)c1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 ZINC000143526130 II Annotated Anodyne CCN(C(=O)c1ccncc1)c1cc(C(=O)N[C@@H](C)COC)cc(-c2ccc(C)cc2)c1 ZINC000143537579 II Annotated Anodyne CCN(C(=O)c1ccncc1)c1cc(C(=O)N[C@H](C)COC)cc(-c2ccc(C)cc2)c1 ZINC000143537792 II Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OS(N)(=O)=O)c(C)c1Cl ZINC000143538457 II Annotated Anodyne CCOC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1 ZINC000143573448 II Annotated Mild CCOC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1 ZINC000143573624 II Annotated Mild CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(C(=O)OC(C)C)cc1 ZINC000143585222 II Annotated Mild CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(C(=O)OC(C)C)cc1 ZINC000143585453 II Annotated Mild Cc1ccc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)NCC(C)C ZINC000143594195 II Annotated Mild O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cc(F)cc43)cc2N1 ZINC000143594682 II Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(Cl)cc2O1 ZINC000143606423 II Annotated Anodyne CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ncccn1 ZINC000143664566 II Annotated Anodyne N#Cc1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143686903 II Annotated Mild N#Cc1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143687118 II Annotated Mild CO[C@@]12C[C@H]3CC[C@@H]([C@H](C)c4ccc5c(c41)C[C@H]1[C@H]5CC(=O)[C@H]4C[C@@H](O)CC[C@@]41C)N2C3 ZINC000143777108 II Annotated Anodyne O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O ZINC000143790748 II Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O ZINC000143791019 II Annotated Anodyne CC(C)(C)n1c(-c2ccccc2C(=O)NC2CC2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000143897882 II Annotated Anodyne CN(C)C(=O)c1ccc(F)c(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c1 ZINC000143900554 II Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O ZINC000143923428 II Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2C)nc2ccc(C(F)(F)F)cc21 ZINC000144096060 II Annotated Anodyne O=C(c1cccc(F)c1Cl)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144115131 II Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccccc2O1 ZINC000144163392 II Annotated Anodyne Cc1cccc([C@H](CCN(C)C)n2cc(NC(=O)c3n[nH]c4c3CCC(C)(C)C4)cn2)c1 ZINC000144189413 II Annotated Anodyne COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccc(C)o4)cc3)CCOCC2)cc1 ZINC000144218975 II Annotated Anodyne in-vitro CC(C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(Cl)cn2)c1 ZINC000144228607 II Annotated Anodyne CC(C)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(Cl)cn2)c1 ZINC000144228797 II Annotated Anodyne O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1)N1CCCCN1 ZINC000144252990 II Annotated Anodyne N#Cc1ccc2nc(NC3CCC3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000144268229 II Annotated Anodyne CCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c(C)n1 ZINC000144293588 II Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000144318943 II Annotated Anodyne CN(c1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1)S(C)(=O)=O ZINC000144335418 II Annotated Anodyne O=C(c1cc(Cl)ccc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144342302 II Annotated Anodyne Cc1c(NC(=O)C2CCOCC2)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144375518 II Annotated Anodyne O=C(c1cc(F)ccc1Cl)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144386304 II Annotated Anodyne O=C(c1c(F)cccc1Cl)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144392304 II Annotated Anodyne COc1ccc(CC2CCN(c3nc4cnc(C#N)cc4nc3NC(C)C)CC2)c(F)c1 ZINC000144417137 II Annotated Anodyne COCCNc1nc2ccc(C#N)cc2nc1N1CCC(Cc2ccc(F)cc2F)CC1 ZINC000144447354 II Annotated Anodyne O=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000144453668 II Annotated Anodyne CCCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C ZINC000144483415 II Annotated Anodyne Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3ncccn3)CC2)c1 ZINC000144511156 II Annotated Anodyne C[C@@H]1C[C@H]1Nc1nc2cnncc2nc1N1CCC([C@@H](F)c2ccc(F)cc2F)CC1 ZINC000144542082 II Annotated Anodyne Fc1ccc(F)c(CN2CCN(c3nc4cc(F)c(F)cc4nc3NC3CC3)CC2)c1 ZINC000144574591 II Annotated Anodyne CC(C)(C)Nc1nc2cc(C#N)ncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000144580731 II Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)C4CC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144672266 II Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@H](O)C4CC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144672474 II Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3ccccn3)c2s1 ZINC000144682751 II Annotated Anodyne Cc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144685025 II Annotated Anodyne Cc1ccc(NC(=O)N2CC[C@H](O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144685236 II Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)CC)nc3)cc(-c3ccccn3)c2s1 ZINC000144710381 II Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@H](O)CC)nc3)cc(-c3ccccn3)c2s1 ZINC000144710570 II Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCCC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144816653 II Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCCC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144816878 II Annotated Anodyne O=C(c1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 ZINC000144825367 II Annotated Anodyne O=C(c1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 ZINC000144825487 II Annotated Anodyne COc1cccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1OC ZINC000144838463 II Annotated Anodyne OCCCCCOc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144838473 II Annotated Anodyne OCCCCCOc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144838686 II Annotated Anodyne Cn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144838893 II Annotated Anodyne Cn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144839097 II Annotated Anodyne COc1ccc(OC)c(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1 ZINC000144867184 II Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c(OC)c1 ZINC000144867615 II Annotated Anodyne Cn1cc(-c2cc(OCCCCC(=O)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144887476 II Annotated Anodyne Cn1cc(-c2cc(OCCCCC(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144887672 II Annotated Anodyne COc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144899828 II Annotated Anodyne COc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144900036 II Annotated Anodyne CCOc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144900459 II Annotated Anodyne CCOc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144900637 II Annotated Anodyne CC(=O)c1cc(-c2cnn(CCC(=O)O)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144904003 II Annotated Anodyne CC(=O)c1cc(-c2cnn(CCC(=O)O)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144904203 II Annotated Anodyne COc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144910416 II Annotated Anodyne COc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144910627 II Annotated Anodyne CC(C)Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144919283 II Annotated Anodyne CC(C)Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144919490 II Annotated Anodyne CC(C)=Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144926888 II Annotated Anodyne CC(C)=Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144927088 II Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(OC)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000144991025 II Annotated Mild Cc1ccccc1-c1nc(CCC(C)C)c2n1CCN(C(=O)c1cc3ncccn3n1)C2 ZINC000014540715 II Annotated Anodyne CC(C)(O)CCc1c(O)cc2occ(-c3cc4c(cc3O)OC(C)(C)C=C4)c(=O)c2c1O ZINC000014558335 II Annotated Anodyne in-vitro biogenic CC(C)(O)CCc1c(O)cc2occ(-c3ccc4c(c3O)C=CC(C)(C)O4)c(=O)c2c1O ZINC000014558338 II Annotated Anodyne in-man endogenous C=C(C)[C@H](O)Cc1c(O)cc2occ(-c3cc4c(cc3O)OC(C)(C)C=C4)c(=O)c2c1O ZINC000014558349 II Annotated Mild COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](O)C[C@H]3CCC[C@@H](C[C@@H](O)CC2)N31 ZINC000014584151 II Annotated Anodyne Cc1c(O)c(Cc2c(O)c(C)c(O)c3c2OC(C)(C)CC3=O)c(O)c(C(=O)C(C)C)c1O ZINC000014585764 II Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)CC)c(O)c(C)c2OC)c1O ZINC000014587075 II Annotated Anodyne CCCC(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(C)c(O)c(C(=O)CC)c2O)c1O ZINC000014587076 II Annotated Anodyne CO[C@]1(CC=C(C)C)C(=O)[C@@](O)(C(=O)/C=C/c2ccccc2)C(=O)C(CC=C(C)C)=C1O ZINC000014594077 II Annotated Mild in-vitro biogenic Cc1c2c(c(O)c3c1C(=O)CC(C)(C)O3)OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2 ZINC000014594639 II Annotated Anodyne in-man CC[C@@H](CO)[C@@H](O)C[C@@H](O)[C@@H](C)CC[C@@H](C)CCC[C@@]1(C)[C@@H](CC)C(=O)C=C[C@@]1(C)O ZINC000014594712 II Annotated Mild in-man endogenous CC[C@H](CO)[C@@H](O)C[C@@H](O)[C@@H](C)CC[C@@H](C)CCC[C@@]1(C)[C@@H](CC)C(=O)C=C[C@@]1(C)O ZINC000014594713 II Annotated Mild in-man endogenous CC[C@@H](CO)[C@H](O)C[C@@H](O)[C@@H](C)CC[C@@H](C)CCC[C@@]1(C)[C@@H](CC)C(=O)C=C[C@@]1(C)O ZINC000014594714 II Annotated Mild in-man endogenous CC[C@H](CO)[C@H](O)C[C@@H](O)[C@@H](C)CC[C@@H](C)CCC[C@@]1(C)[C@@H](CC)C(=O)C=C[C@@]1(C)O ZINC000014594715 II Annotated Mild in-man endogenous COc1cc(O)c2c(=O)c3cc4c(c(O)c3oc2c1CCC(C)(C)O)OC(C)(C)C=C4 ZINC000014613746 II Annotated Bother in-vitro biogenic C=C(C)[C@H](O)Cc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2 ZINC000014618659 II Annotated Mild COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)O2 ZINC000014637781 II Annotated Bother CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000014638163 II Annotated Mild in-man CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000014638165 II Annotated Mild in-man CC(C)(O)[C@@H]1O[C@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000014638167 II Annotated Mild in-man CC(C)(O)[C@H]1O[C@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000014638169 II Annotated Mild in-man COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)[C@H](O)[C@H]1CCCN1C3 ZINC000014649170 II Annotated Bother COc1cccc(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NCCC(=O)O)c1NC(C)=O ZINC000014654255 II Annotated Anodyne C=CC[C@]1([C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)C=C(OC)C(OC)=CC1=O ZINC000014658211 II Annotated Mild in-vitro biogenic C=CC[C@@]1([C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)C=C(OC)C(OC)=CC1=O ZINC000014658214 II Annotated Mild COC(=O)c1c(Cl)c(OC)c(C)c2c1Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 ZINC000014682369 II Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(C)=O ZINC000014683533 II Annotated Mild CCCCCc1cc(O)c(OC(=O)c2c(CCC)cc(O)cc2OC)c(O)c1C(=O)O ZINC000014685115 II Annotated Anodyne in-vitro biogenic CCCCCc1cc(OC)c(OC(=O)c2c(O)cc(O)cc2CCC)c(O)c1C(=O)O ZINC000014685116 II Annotated Anodyne C=C1CO[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5O[C@@H](CCCNC(C)=O)OC[C@]45C)[C@@H]3CC[C@@H]12 ZINC000014688629 II Annotated Mild CC(C)=CC[C@@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C=CC(C)(C)O4 ZINC000014690572 II Annotated Anodyne in-vitro biogenic CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C=CC(C)(C)O4 ZINC000014690574 II Annotated Anodyne in-vitro biogenic C=C(C)[C@H](O)Cc1c(OC)cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c1O ZINC000014727644 II Annotated Mild in-man C=C(C)[C@@H](O)Cc1c(OC)cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c1O ZINC000014727645 II Annotated Mild in-man C=C(C)[C@H](O)Cc1c(OC)c(O)cc2oc3cc(OC)c(CC=C(C)C)c(O)c3c(=O)c12 ZINC000014727652 II Annotated Mild in-man C=C(C)[C@@H](O)Cc1c(OC)c(O)cc2oc3cc(OC)c(CC=C(C)C)c(O)c3c(=O)c12 ZINC000014727653 II Annotated Mild in-man CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](O)C(C)(C)O5)c(O)cc2O1 ZINC000014825192 II Annotated Anodyne CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)C=C(C)C ZINC000014827012 II Annotated Anodyne in-man endogenous CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)C=C(C)C ZINC000014827014 II Annotated Anodyne in-man endogenous CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)C=C(C)C ZINC000014827016 II Annotated Anodyne in-man endogenous CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)C=C(C)C ZINC000014827018 II Annotated Anodyne in-man endogenous COc1ccc(CCc2cc3c(cc2O)OC(=O)C[C@@H]3c2ccc(O)c(O)c2)cc1OC ZINC000014883518 II Annotated Clean CCCCC/C=C\CC1=C[C@H]2C(=O)[C@]1(OC(C)=O)C=C[C@H]2[C@@H](CCC(=O)OC)OC(C)=O ZINC000014927613 II Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1CCNC3 ZINC000014945562 II Annotated Bother CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCCCCC[N+](C)(C)C)ccc(c23)C1 ZINC000014947232 II Annotated Bother N#Cc1cnc(NC(=O)Nc2cc(Cl)c(OCc3cccnc3)cc2N2CCCC2)cn1 ZINC000014956172 II Annotated Mild Cc1c(C(=O)N2CCC[C@H]2CO)sc2ncnc(NCc3cc4ccccc4s3)c12 ZINC000014962795 II Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCc2ccncc2)ccc2c1CCCC2 ZINC000014964549 II Annotated Anodyne CCN(CC)C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964834 II Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2/C=C\CN2CCCC2)ccc2c1CCCC2 ZINC000014964882 II Annotated Anodyne CCN(C)C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964907 II Annotated Anodyne CC(C)N(C)C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964915 II Annotated Anodyne CCN(CC)CCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964927 II 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[C@H]1OC(=O)/C(C)=C\C ZINC000014968274 II Annotated Mild COc1ccc(-n2cnc3cc(OC)cc(OS(=O)(=O)C(F)(F)F)c3c2=S)cc1 ZINC000014972385 II Annotated Unstable CC(=O)Nc1nc2c(Oc3cc(N4CCN(CC(C)(C)C)CC4)ncn3)cccc2s1 ZINC000014974165 II Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC[C@H](C)N)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145098150 II Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC[C@H](C)N)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145098328 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cncnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1 ZINC000145279664 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cncnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1 ZINC000145279847 II Annotated Anodyne CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4cccnc4)c3)c2n1 ZINC000145430480 II Annotated Anodyne CCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145477611 II Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)cc(C5CC5)nc34)cn2)cn1 ZINC000145524135 II Annotated Anodyne CCOC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145537745 II Annotated Anodyne CCOC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145537954 II Annotated Anodyne CCNc1cc(-c2cccc3c(-n4cnc(-c5cnn(C)c5)c4)ccnc23)ccc1C(N)=O ZINC000145560975 II Annotated Anodyne CN1CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1=O ZINC000145568489 II Annotated Anodyne CN1CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)CC1=O ZINC000145568689 II Annotated Anodyne CCNc1cc(-c2cccc3c(-n4cnc(-c5cnn(C)c5)c4)nccc23)ccc1C(N)=O ZINC000145572319 II Annotated Anodyne O=C(NC1(C(=O)O)CC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145630978 II Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CC[C@H]2CNC[C@H]21 ZINC000145634940 II Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cncnc4)cccc23)cc1NC1CCC(O)CC1 ZINC000145643962 II Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000145667825 II Annotated Anodyne COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(N)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000145777503 II Annotated Mild O=C(N[C@H](CO)Cc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146079471 II Annotated Anodyne C[C@@H](Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146139730 II Annotated Anodyne C[C@H](Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146139923 II Annotated Anodyne C[C@@H]1O[C@H](C=C=CBr)C[C@@H]2O[C@@]3(CC[C@@H](O3)[C@H]1Cl)C[C@H]2Br ZINC000146202469 II Annotated Reactive N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@H]4C#N)c3)c2)ccc1OC1CCOCC1 ZINC000146431199 II Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@@H]4C#N)c3)c2)ccc1OC1CCOCC1 ZINC000146431399 II Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C[C@@H]4C[C@H]4C#N)c3)c2)ccc1OC1CCOCC1 ZINC000146431595 II Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C[C@@H]4C[C@@H]4C#N)c3)c2)ccc1OC1CCOCC1 ZINC000146431790 II Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\C[C@@H](OC(C)=O)[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000146457931 II Annotated Anodyne CC[C@@H](Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000146476757 II Annotated Anodyne CC[C@H](Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)[C@@H](C)O ZINC000146476937 II Annotated Anodyne CN(C)Cc1ccnc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)c1 ZINC000146494728 II Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C[C@@H]4CCOC4)c3)c2)ccc1OC1CCOCC1 ZINC000146500335 II Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4CCOC4)c3)c2)ccc1OC1CCOCC1 ZINC000146500516 II Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146551433 II Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)[C@@H](C)O)c(C)c1Cl ZINC000146552455 II Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(CC(F)F)c3)c2)ccc1OC1CCOCC1 ZINC000146558073 II Annotated Anodyne Nc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000146937429 II Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncc(F)cn4)ccn23)c1 ZINC000146941576 II Annotated Anodyne Cc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1C ZINC000146954026 II Annotated Anodyne Cc1cncc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000146975590 II Annotated Anodyne COc1cncc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000147164464 II Annotated Anodyne Nc1cccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000147189038 II Annotated Anodyne COCCOc1cc(Cl)c(C(=O)NCc2ccc(-c3cc[nH]c(=O)c3)cc2)c(Cl)c1 ZINC000147217223 II Annotated Anodyne Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000147319065 II Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(Cl)cc2Cl)C1 ZINC000147493578 II Annotated Anodyne O=S(=O)(c1ccc([C@H](O)C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147524379 II Annotated Anodyne O=S(=O)(c1ccc([C@@H](O)C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147524561 II Annotated Anodyne O=S(=O)(c1cccc([C@H](O)C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147525291 II Annotated Anodyne O=S(=O)(c1cccc([C@@H](O)C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147525480 II Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ccccc5)c(Cl)c4s3)o2)CC1 ZINC000147532753 II Annotated Mild CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4cn(C)c5ccccc45)cc3c2C1 ZINC000147586766 II Annotated Anodyne CC(C)[C@@H]1c2cc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 ZINC000147753910 II Annotated Anodyne CCN(Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1)C(C)=O ZINC000147815975 II Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147823127 II Annotated Anodyne C[C@@H](Oc1cc(-c2ccc3nc(C(F)(F)F)cn3c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147823367 II Annotated Anodyne CN1CCc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2CC1 ZINC000147824432 II Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(OCC(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147830864 II Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc3c(c2)COC(=O)N3)cc2ncccc12 ZINC000147853705 II Annotated Anodyne O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1OC(F)(F)F ZINC000147902863 II Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147940902 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148020975 II Annotated Anodyne COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3cc(Cl)c4c(c3)OCO4)c2=O)c1 ZINC000148070200 II Annotated Anodyne CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 ZINC000148083377 II Annotated Anodyne Cc1n[nH]c(C)c1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148178560 II Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(=N)N1 ZINC000148352937 II Annotated Anodyne Cc1nc([C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)[C@H]2CCCCN2)sc1CO ZINC000148512779 II Annotated Anodyne in-vitro Cc1ncnc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148560149 II Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148587460 II Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148810511 II Annotated Mild CCc1ncnc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148865347 II Annotated Mild CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(O)c1 ZINC000148922986 II Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(O)c1 ZINC000148923207 II Annotated Anodyne O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3cccc(-c4cccnc4F)c3CCN12 ZINC000149273815 II Annotated Anodyne CC(=O)N[C@@H](C)CCc1ccc(C2CN(c3ncc4nc(-c5ccccc5)oc4n3)C2)cc1 ZINC000149633385 II Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc(C2CN(c3ncc4nc(-c5ccccc5)oc4n3)C2)cc1 ZINC000149633609 II Annotated Anodyne C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C#N)CC1 ZINC000149635878 II Annotated Mild C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C#N)CC1 ZINC000149636077 II Annotated Mild C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)c1ccon1 ZINC000149645446 II Annotated Clean C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)c1ccon1 ZINC000149645657 II Annotated Clean CCc1ccc([C@H]2C[C@H](OC(=O)Nc3ccccc3)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000149698360 II Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](OC(=O)Nc3ccccc3)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000149698583 II Annotated Anodyne CCc1ccc([C@H]2C[C@@H](OC(=O)Nc3ccccc3)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000149698791 II Annotated Anodyne Cc1ccc2nc(-c3cc4nc(N5CCCC5)cc(NC5CCOCC5)n4n3)c(C)nc2c1 ZINC000149811367 II Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(Cl)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1 ZINC000149875359 II Annotated Anodyne O=C(Nc1ccc([C@@H]2CNCCO2)c(Cl)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1 ZINC000149875579 II Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4F)c3)cnnc21 ZINC000149944170 II Annotated Anodyne N#Cc1c(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)sc2c1CCCC2 ZINC000001507381 II Annotated Mild CCN(CC)[C@@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1cccc2ccccc12 ZINC000001533206 II Annotated Anodyne COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C[C@H]3CSC[C@H]23)cc(OC)c1OC ZINC000001541543 II Annotated Anodyne O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000001543218 II Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/n2ccnc2)cc1-c1ccccc1C)C(=O)O ZINC000001545478 II Annotated Anodyne Cc1cc(NCCCNCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 ZINC000001563932 II Annotated Anodyne Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1 ZINC000001617770 II Annotated Bother CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1 ZINC000001617771 II Annotated Bother CC1(C)C[C@@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@@H]3O1 ZINC000001622852 II Annotated Reactive CC1(C)C[C@@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@H]3O1 ZINC000001622853 II Annotated Reactive CC1(C)C[C@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@@H]3O1 ZINC000001622854 II Annotated Reactive CC1(C)C[C@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@H]3O1 ZINC000001622855 II Annotated Reactive C[C@@H]1SC2=NC3=C(c4ccccc4C3=O)[C@H](c3ccc(Br)cc3)N2C1=O ZINC000001626650 II Annotated Mild C[C@H]1SC2=NC3=C(c4ccccc4C3=O)[C@H](c3ccc(Br)cc3)N2C1=O ZINC000001626651 II Annotated Mild C[C@@H]1SC2=NC3=C(c4ccccc4C3=O)[C@@H](c3ccc(Br)cc3)N2C1=O ZINC000001626652 II Annotated Mild C[C@H]1SC2=NC3=C(c4ccccc4C3=O)[C@@H](c3ccc(Br)cc3)N2C1=O ZINC000001626653 II Annotated Mild Nc1ccccc1C(=O)[C@H](Br)[C@H](Br)c1ccc2c(c1)OCO2 ZINC000001634570 II Annotated Reactive Nc1ccccc1C(=O)[C@@H](Br)[C@H](Br)c1ccc2c(c1)OCO2 ZINC000001634571 II Annotated Reactive Nc1ccccc1C(=O)[C@H](Br)[C@@H](Br)c1ccc2c(c1)OCO2 ZINC000001634572 II Annotated Reactive Nc1ccccc1C(=O)[C@@H](Br)[C@@H](Br)c1ccc2c(c1)OCO2 ZINC000001634573 II Annotated Reactive COC(=O)c1nc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Cl)sc1Cl ZINC000001634791 II Annotated Anodyne COc1cccc(/C=C2/N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1 ZINC000001635962 II Annotated Anodyne CCN(CC)C1CCC([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)CC1 ZINC000001642014 II Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000001644278 II Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nnc3cc(C(F)(F)F)cc(C)n23)c(S)cc1Cl ZINC000001645168 II Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)nn2C)c(S)cc1Cl ZINC000001645187 II Annotated Anodyne O=C(Cn1c(=O)oc2ccc(C(=O)c3ccccc3Cl)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000001645299 II Annotated Bother COC(=O)/C=C/c1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)c(C(=O)OC)c2c1 ZINC000001645372 II Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c(OC)c1OC ZINC000001648080 II Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC ZINC000001648691 II Annotated Reactive CNc1ccc2c(c1)N(C(=O)c1cc3cc(OC)c(OC)c(OC)c3[nH]1)C[C@@H]2CCl ZINC000001648693 II Annotated Reactive CCC1(CC)C(=O)N(C(=O)c2ccc(Cl)cc2)N(C(=O)c2ccccc2Cl)C1=O ZINC000001648838 II Annotated Clean COc1cc(/N=N/N(C)C)c([C@@H](C)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC ZINC000001649537 II Annotated Clean CCOc1ccc(N2C(=O)N[C@@]3(c4ccccc4)N(C)C(=O)N(C)[C@]23c2ccccc2)cc1 ZINC000001650544 II Annotated Anodyne CCOc1ccc(N2C(=O)N[C@@]3(c4ccccc4)N(C)C(=O)N(C)[C@@]23c2ccccc2)cc1 ZINC000001650545 II Annotated Anodyne CCOc1ccc(N2C(=O)N[C@]3(c4ccccc4)N(C)C(=O)N(C)[C@]23c2ccccc2)cc1 ZINC000001650546 II Annotated Anodyne CCOc1ccc(N2C(=O)N[C@]3(c4ccccc4)N(C)C(=O)N(C)[C@@]23c2ccccc2)cc1 ZINC000001650547 II Annotated Anodyne CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3ccc([N+](=O)[O-])cc32)n(C)c1 ZINC000001652653 II Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3ccc([N+](=O)[O-])cc32)n(C)c1 ZINC000001652655 II Annotated Reactive COC(=O)[C@H]1CCC(=O)N1[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12 ZINC000001654619 II Annotated Anodyne COC(=O)[C@H]1CCC(=O)N1[C@H](c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12 ZINC000001654620 II Annotated Anodyne COC(=O)[C@@H]1CCC(=O)N1[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12 ZINC000001654621 II Annotated Anodyne COC(=O)[C@@H]1CCC(=O)N1[C@H](c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12 ZINC000001654622 II Annotated Anodyne CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(C(=O)OC)s1 ZINC000001654706 II Annotated Anodyne O=C(c1ccccc1)N1CCN(C(=S)N(C(=O)c2ccccc2)c2ccccc2)C1=S ZINC000001655805 II Annotated Anodyne CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccc2c(c1)OCCCO2 ZINC000001658804 II Annotated Anodyne CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4c(c3)OCCCO4)c2c1N ZINC000001658808 II Annotated Anodyne O=C(CCC=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001659049 II Annotated Anodyne COc1cc(-c2c3c([nH]c(=O)c2C#N)-c2cc([N+](=O)[O-])ccc2CCC3)cc(OC)c1OC ZINC000001659256 II Annotated Mild COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccc2OC)C(=O)c2ccccc2C1 ZINC000001662843 II Annotated Anodyne COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccc(OC)cc2)C(=O)c2ccccc2C1 ZINC000001662848 II Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1sc(=S)n(-c2ccccc2)c1N ZINC000001662934 II Annotated Reactive c1cc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4s3)s2)ccc1C1=NCCN1 ZINC000001663227 II Annotated Anodyne COc1ccc(-n2c3c(c4c(CN(C)C)c(O)ccc42)C(=O)c2ccccc2C3=O)cc1 ZINC000001663332 II Annotated Clean O=c1c2cc(I)ccc2nc(-c2cccs2)n1-c1ccc(O)cc1 ZINC000001663516 II Annotated Anodyne Cc1ccccc1N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000001750197 II Annotated Clean CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c(cc3c(Cl)cccc32)c1O ZINC000001856333 II Annotated Bother CO[C@@]1([C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C(=O)C(c2ccccc2)=C1N(C)C ZINC000001860365 II Annotated Mild CO[C@@]1([C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C(=O)C(c2ccccc2)=C1N(C)C ZINC000001860366 II Annotated Mild CO[C@]1([C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C(=O)C(c2ccccc2)=C1N(C)C ZINC000001860367 II Annotated Mild CO[C@]1([C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C(=O)C(c2ccccc2)=C1N(C)C ZINC000001860368 II Annotated Mild COc1ccc([C@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001863291 II Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001863293 II Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001863294 II Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001863297 II Annotated Anodyne CC(C)c1nn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1 ZINC000001889734 II Annotated Anodyne O=C(O)C[C@@](O)(C[C@H](O)CCCCC[C@H]1c2ccccc2-c2cc(Cl)ccc21)C(=O)O ZINC000001903715 II Annotated Anodyne O=C(O)C[C@H]1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc21 ZINC000001909819 II Annotated Anodyne O=C1c2c(c(=O)n3ncc(-c4ccccc4)c3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000001915297 II Annotated Anodyne OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(C[C@H]2CC=CCC2)CCO3)CC1 ZINC000015002506 II Annotated Anodyne OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(C[C@@H]2CC=CCC2)CCO3)CC1 ZINC000015002509 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](OC(=O)/C(C)=C\C)[C@@H](C)[C@]12C ZINC000015055034 II Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]1C ZINC000015055036 II Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C(C)=C\C)[C@@H](C)[C@@]21C ZINC000015055039 II Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1CC[C@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]1C ZINC000015055042 II Annotated Anodyne in-man CC(C)CN1CCC(O)(c2ccc3oc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2)CC1 ZINC000015068897 II Annotated Anodyne Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1nc(-c2cccnc2)no1 ZINC000015072885 II Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000015115450 II Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000015115452 II Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000015115454 II Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000015115456 II Annotated Reactive in-man endogenous C=C(CCC=C(C)C)[C@H](O)Cc1c(OC)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12 ZINC000015120677 II Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC000015122029 II Annotated Mild in-vitro C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC000015122030 II Annotated Mild in-vitro C=C1C(=O)O[C@@H](c2cc(OC)c(OC)c(OC)c2-c2cc(OC)c(OC)c(OC)c2)[C@H]1C ZINC000015210887 II Annotated Mild c1ccc(CO[C@@H]2[C@H]3OC[C@H](O3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000015218151 II Annotated Anodyne CC(=O)OC/C(=C\O/C=C(\COC(C)=O)c1ccc(C)cc1O)c1ccc(C)cc1O ZINC000015257781 II Annotated Anodyne COc1cc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000015262188 II Annotated Anodyne COc1cc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000015262190 II Annotated Anodyne CC(=O)O[C@H]1C(=O)C(=O)c2c(cc(C)c(Br)c2O)[C@H]2[C@@H](C(C)C)CC[C@@]12C ZINC000015267060 II Annotated Clean COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000015270571 II Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H]1OC[C@@H](C2)[C@H]1C ZINC000015274119 II Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H]1OC[C@H](C2)[C@H]1C ZINC000015274120 II Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 ZINC000150064758 II Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1 ZINC000150107032 II Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4C#N)c3)cnnc21 ZINC000150126418 II Annotated Anodyne Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1 ZINC000150136037 II Annotated Anodyne in-vitro Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@@H]4CNCCC45CC5)n3)c2c1 ZINC000150166194 II Annotated Anodyne CC(C)CCC[C@@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000153079873 II Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)C ZINC000154103211 II Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c(O)c(C)c1OC ZINC000154387488 II Annotated Mild Cc1ccccc1NC1=C/C(=N\S(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O ZINC000015880067 II Annotated Mild O=C(C[C@H]1S/C(=N\N=C2CCCCCC2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000015894584 II Annotated Mild COc1ccc(-c2cc(CC3(C(=O)O)CCN(C(=O)OC(C)(C)C)CC3)on2)c(OC)c1 ZINC000015924798 II Annotated Anodyne Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c1 ZINC000015936122 II Annotated Anodyne Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)c1 ZINC000015936123 II Annotated Anodyne COc1cc(C(C)=O)ccc1Oc1cc(NN2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015936808 II Annotated Bother O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccnc2Br)cc1NN1CCCCC1 ZINC000015936820 II Annotated Bother NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000015937492 II Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000015937493 II Annotated Bother Cc1ccc(CNC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)cc1 ZINC000015941302 II Annotated Anodyne COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@@]23C(O)=Nc2ccc(F)cc23)cc1 ZINC000015972103 II Annotated Anodyne Cc1ccc(C2=NN=C/C2=C\Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000015974264 II Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccco1 ZINC000015986639 II Annotated Reactive CCOc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccs1 ZINC000015987825 II Annotated Anodyne aggregator CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1 ZINC000015987844 II Annotated Anodyne aggregator CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)C([C@H](O)[C@@H](O)C(C)C)=C1O ZINC000155025691 II Annotated Mild CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)cc(OC)c(C(=O)CCC)c2O)C1=O ZINC000155099945 II Annotated Mild CC[C@H](C)NCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)CN[C@@H](C)CC)c1Cl ZINC000016225868 II Annotated Anodyne CC[C@@H](C)NCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)CN[C@H](C)CC)c1Cl ZINC000016225870 II Annotated Anodyne CC[C@H](C)NCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)CN[C@H](C)CC)c1Cl ZINC000016225872 II Annotated Anodyne COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000016511514 II Annotated Clean COc1cc(OC)c([C@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000016958576 II Annotated Anodyne O=C1OC[C@H](c2ccc(F)cc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165268571 II Annotated Anodyne O=C1OC[C@H](C2CCCCC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165281125 II Annotated Anodyne NCCc1cc(Br)c(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1O ZINC000165282496 II Annotated Anodyne C[C@@H](CCl)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165468153 II Annotated Unstable C[C@H](CCl)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165468279 II Annotated Unstable NCC1CCN(Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2F)CC1 ZINC000166363392 II Annotated Anodyne CCCCCCCC[C@H]1O[C@@H]1C/C=C/C=C\[C@H](O)CC(=O)NC1=C[C@](C)(CC)OC1=O ZINC000166418779 II Annotated Mild O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000166516938 II Annotated Anodyne O=C1Nc2ccc(OC(F)(F)F)cc2[C@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000166517065 II Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)CC[C@@]3(C)[C@H](OS(=O)(=O)O)C[C@H](C(C)C)[C@@H]3[C@H]2[C@@H]2C[C@@]21C ZINC000166754068 II Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)c2O ZINC000166777878 II Annotated Anodyne CCc1ncnc(-c2ccc(Cl)c(C(=O)N(CC)CC)c2)c1C#Cc1ccc(N)nc1 ZINC000167282730 II Annotated Mild C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c([C@@H]3CC[C@@H](O)CC3)n2)C1 ZINC000167803380 II Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(C3CCCCC3)n2)C[C@@H](N)[C@@H]1O ZINC000168241759 II Annotated Anodyne CCc1nn(Cc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)c(CC)c1CC(=O)O ZINC000168941355 II Annotated Anodyne CCc1nn(Cc2ccc(C(=O)NC3CCC(C)(C)CC3)cc2)c(CC)c1CC(=O)O ZINC000168941468 II Annotated Anodyne O=C(c1ccc2c(c1)[nH]c(=O)c1cnn(C3CCOCC3)c12)N1CCc2cc(Cl)ccc21 ZINC000169274999 II Annotated Anodyne CC(C)(C)n1c(-c2cc(Cl)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169285401 II Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@@H](O)[C@@H](C)C/C=C\Cc2cccc(O)c2C(=O)O1 ZINC000169290263 II Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=CC23C[C@H]4CC(C[C@@H](C4)C2)[C@@H]31 ZINC000169291198 II Annotated Mild CC[C@@H](C)CCC[C@@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12 ZINC000169293186 II Annotated Bother CC[C@H](C)CCC[C@@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12 ZINC000169293187 II Annotated Bother CC[C@H](C)CCC[C@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12 ZINC000169293188 II Annotated Bother C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169293276 II Annotated Mild CC(C)c1ccc(OC[C@@H](O)CN(C)[C@@H](C)[C@@H](O)c2ccccc2)c(Br)c1 ZINC000169294230 II Annotated Anodyne CC(C)c1ccc(OC[C@H](O)CN(C)[C@@H](C)[C@@H](O)c2ccccc2)c(Br)c1 ZINC000169294231 II Annotated Anodyne O=C1CS/C(=N\N=C2[C@@H]3CCC[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)N1 ZINC000169297803 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)N1 ZINC000169297804 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)N1 ZINC000169297805 II Annotated Mild O=C1CS/C(=N\N=C2[C@@H]3CCC[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)N1 ZINC000169298319 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)N1 ZINC000169298322 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)N1 ZINC000169298326 II Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](/C=C\C(F)(F)F)C2 ZINC000169300714 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](/C=C\C(F)(F)F)C[C@@H]1Cc1[nH]ncc12 ZINC000169300715 II Annotated Anodyne CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@@H](Cl)C=C1)[C@H]([C@@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 ZINC000169301710 II Annotated Reactive C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3C2=O)OC1(C)C ZINC000169302240 II Annotated Anodyne CCOC(=O)N[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000169302518 II Annotated Mild C=C1C[C@H]2[C@@H]3C=C(OC(C)=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000169302543 II Annotated Mild Cc1ccc(S(=O)(=O)N2[C@@H](Cc3ccccc3)CO[C@H]2CC(=O)c2ccccc2)cc1 ZINC000169302593 II Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000169303081 II Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccncc2)c1C(=O)NCc1ccc(Cl)cc1 ZINC000169303173 II Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C ZINC000169303364 II Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C ZINC000169303365 II Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2CCN(C)C)cc1OCC ZINC000169303393 II Annotated Anodyne O=C(NC1=C(c2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc2C1=O)c1ccco1 ZINC000169304254 II Annotated Mild O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000169304294 II Annotated Reactive O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000169304296 II Annotated Reactive Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000169305375 II Annotated Anodyne S=C1NNC2(N1)[C@H]1CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169306296 II Annotated Anodyne Cc1nn(C)c(C)c1CCc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 ZINC000169307426 II Annotated Anodyne CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCCC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307793 II Annotated Anodyne CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC(C)(C)C)c4)c2C1)CC(C)(C)CC3=O ZINC000169308147 II Annotated Anodyne C/C1=C/[C@@H]2[C@H](C/C=C(/C)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169308197 II Annotated Mild C/C1=C\[C@@H]2[C@H](C/C=C(\C)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169308199 II Annotated Mild C/C1=C/[C@@H]2[C@H](C/C=C(\C)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169308201 II Annotated Mild CN1c2c(C(=O)Nc3ccccc3)nn(-c3cccc(F)c3)c2-c2ccccc2S1(=O)=O ZINC000169308555 II Annotated Anodyne C/C1=C/[C@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169309083 II Annotated Mild C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)nc4)nc32)CC1 ZINC000169309290 II Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2ccccc2)nn1)C(F)(F)F ZINC000169309326 II Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2ccccc2)nn1)C(F)(F)F ZINC000169309327 II Annotated Anodyne CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N(C)Cc3ccc(OC)cc3)cc21 ZINC000169309918 II Annotated Anodyne CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N(C)Cc3ccc(OC)cc3)cc21 ZINC000169309919 II Annotated Anodyne COc1ccc2c(c1)c(C(=O)C1=C(O)C(=O)OC1)cn2Cc1ccc(C(F)(F)F)cc1 ZINC000169312680 II Annotated Mild C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169312761 II Annotated Mild C[C@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169312762 II Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169313324 II Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169313325 II Annotated Mild CN(C)CCCN1C(=O)[C@H](CCCN2CCC(c3ccccc3)CC2)C(=O)c2ccccc21 ZINC000169319128 II Annotated Anodyne CN(C)CCCN1C(=O)[C@@H](CCCN2CCC(c3ccccc3)CC2)C(=O)c2ccccc21 ZINC000169319129 II Annotated Anodyne Cc1ccccc1-n1[nH]c(C)c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1=O ZINC000169319683 II Annotated Clean Cc1ccc(-n2[nH]cc(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C ZINC000169319685 II Annotated Clean Cc1[nH]n(Cc2ccccc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169319692 II Annotated Clean COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2/C=N/Cc2ccccc2)cc1 ZINC000169320269 II Annotated Mild CC(=O)Oc1ccc(-c2nonc2N(C)C(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000169320949 II Annotated Anodyne O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(F)cc4)cc3c(=O)c2c1 ZINC000169321919 II Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(F)cc4)cc3c(=O)c2c1 ZINC000169321921 II Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSC4CCCCC4)cc3c(=O)c2c1 ZINC000169321961 II Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSC4CCCCC4)cc3c(=O)c2c1 ZINC000169321964 II Annotated Bother Cc1sccc1S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1 ZINC000169322446 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324642 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(C)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324647 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324654 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(F)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324658 II Annotated Anodyne CN(C)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C3CC3)N(C)C)cc1C2=O)C1CC1 ZINC000169324869 II Annotated Mild Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O ZINC000169325521 II Annotated Anodyne CCCc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)nn1 ZINC000169325606 II Annotated Anodyne O=S(=O)(O)Oc1cnccc1CCCOc1cccnc1Oc1cccc(Cl)c1 ZINC000169326845 II Annotated Anodyne COC(=O)[C@@]1(C)C[C@@H](c2coc3ccc(Br)cc3c2=O)N(c2ccccc2)O1 ZINC000169327148 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(C)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327865 II Annotated Anodyne O=C1O/C(=C\Cn2cc(C3CC3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169328366 II Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169328744 II Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169328750 II Annotated Anodyne COc1ccc(O)c([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2ccc(C(=O)O)cc2)c1 ZINC000169328935 II Annotated Clean Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169328937 II Annotated Clean C[C@@H]1CCC[C@@H](CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000169329602 II Annotated Anodyne C[C@H]1CCC[C@@H](CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000169329604 II Annotated Anodyne C[C@@H]1CCC[C@H](CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000169329605 II Annotated Anodyne C[C@H]1CCC[C@H](CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)N1 ZINC000169329607 II Annotated Anodyne CC(=O)CCC(=O)OCC[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 ZINC000169329963 II Annotated Mild CC(=O)CCC(=O)OCC[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 ZINC000169329965 II Annotated Mild CC(=O)CCC(=O)OCC[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 ZINC000169329967 II Annotated Mild CC(=O)CCC(=O)OCC[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 ZINC000169329970 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000169330274 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000169330276 II Annotated Mild Cc1cccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)c1 ZINC000169330535 II Annotated Clean Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1 ZINC000169330547 II Annotated Clean CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000169331077 II Annotated Clean O=[N+]([O-])c1cc(CSc2nnnn2-c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000169331572 II Annotated Bother CCN(CC)CCN1N=C(c2cc(OC)c(OC)c(OC)c2)CC2=C1CC(C)(C)CC2=O ZINC000169331922 II Annotated Mild Cc1cc(C)cc(NC2=C(NS(=O)(=O)C3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000169333520 II Annotated Mild COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Br)cc1)[C@@H]23 ZINC000169333594 II Annotated Anodyne O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Br)cc1)[C@@H]23 ZINC000169333617 II Annotated Anodyne O=C(O)CCCNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000169333662 II Annotated Anodyne CC(C)c1ccc2c(c1C(=O)C[C@@H](C(=O)NC1CCCCC1)N1CCOCC1)CCCC2 ZINC000169333884 II Annotated Anodyne CC(C)c1ccc2c(c1C(=O)C[C@H](C(=O)NC1CCCCC1)N1CCOCC1)CCCC2 ZINC000169333886 II Annotated Anodyne Cc1cc(C)cc(NC2=C(NS(=O)(=O)Cc3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000169334559 II Annotated Mild O=c1[nH]c2c(cc1CNCc1cccc(C(F)(F)F)n1)c(C1CC1)nn2-c1ccccc1 ZINC000169336056 II Annotated Anodyne O=C1C[C@@H](SCCO)/C(=C/C#Cc2ccccc2)[C@@H]1[C@@H](SCCO)c1ccccc1 ZINC000169338353 II Annotated Mild O=C1C[C@H](SCCO)/C(=C/C#Cc2ccccc2)[C@@H]1[C@@H](SCCO)c1ccccc1 ZINC000169338355 II Annotated Mild O=C1C[C@H](SCCO)/C(=C/C#Cc2ccccc2)[C@H]1[C@@H](SCCO)c1ccccc1 ZINC000169338357 II Annotated Mild CO[C@]12C=C[C@@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169339111 II Annotated Anodyne CO[C@]12C=C[C@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169339114 II Annotated Anodyne CO[C@@]12C=C[C@@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169339116 II Annotated Anodyne CO[C@@]12C=C[C@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169339119 II Annotated Anodyne O=C1C[C@@H](SCCO)/C(=C\C#Cc2ccccc2)[C@@H]1[C@@H](SCCO)c1ccccc1 ZINC000169339213 II Annotated Mild O=C1C[C@H](SCCO)/C(=C\C#Cc2ccccc2)[C@@H]1[C@@H](SCCO)c1ccccc1 ZINC000169339215 II Annotated Mild O=C1C[C@@H](SCCO)/C(=C\C#Cc2ccccc2)[C@H]1[C@@H](SCCO)c1ccccc1 ZINC000169339218 II Annotated Mild CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(NS(C)(=O)=O)ccc2O1 ZINC000169339979 II Annotated Anodyne CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2cc(NS(C)(=O)=O)ccc2O1 ZINC000169339981 II Annotated Anodyne CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(NS(C)(=O)=O)ccc2O1 ZINC000169339982 II Annotated Anodyne CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(NS(C)(=O)=O)ccc2O1 ZINC000169339983 II Annotated Anodyne C/C(=N\O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)c1 ZINC000169340913 II Annotated Mild CO/N=C(\C)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)c1 ZINC000169340914 II Annotated Mild CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CBr)[C@@H]1c1ccccc1 ZINC000169341704 II Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CBr)[C@@H]1c1ccccc1 ZINC000169341705 II Annotated Reactive CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OC[C@H]2CCCCO2)[C@]13C(=O)O ZINC000169342717 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC[C@H]2CCCCO2)[C@]13C(=O)O ZINC000169342719 II Annotated Mild Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC(C)C)nc4C3)ncc2Cl)c(C)c1 ZINC000169342755 II Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342756 II Annotated Anodyne CC1(C)C=Cc2c(c3c(CN4CCSCC4)cc(=O)oc3c3cc([N+](=O)[O-])oc23)O1 ZINC000169342981 II Annotated Bother CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])c(C(C)C)c12 ZINC000169343010 II Annotated Bother CCO[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C\CC(=O)OC ZINC000169343871 II Annotated Bother CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C\CC(=O)OC ZINC000169343873 II Annotated Bother O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1cccnc1)C2 ZINC000169344736 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@@H](c3cccnc3)C[C@@H]1Cc1[nH]ncc12 ZINC000169344739 II Annotated Anodyne C[C@@H]1CN(CC[C@@H](O)c2csc3ccc(F)cc23)CCN1c1cccc2c1OCO2 ZINC000169345325 II Annotated Anodyne C[C@H]1CN(CC[C@@H](O)c2csc3ccc(F)cc23)CCN1c1cccc2c1OCO2 ZINC000169345327 II Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCCC2(C1)OCCCO2 ZINC000169345991 II Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCCCO2 ZINC000169345993 II Annotated Anodyne CCCCCCOC[C@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169346001 II Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169346003 II Annotated Mild CCOC(=O)CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@H](O)c2ccccc21 ZINC000169346103 II Annotated Anodyne CCOC(=O)CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@@H](O)c2ccccc21 ZINC000169346104 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccccc1)C2 ZINC000169346231 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2C[C@@H](c3ccccc3)C[C@@H]1Cc1[nH]ncc12 ZINC000169346233 II Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)c3ccco3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346703 II Annotated Mild C=C1CCC[C@@H]2Nc3ccc(OC)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346907 II Annotated Mild O=S(=O)(Nc1cc(CCCO)c(O)c2ccccc12)c1ccc(Br)cc1 ZINC000169348357 II Annotated Clean CC1=CC[C@H]2[C@@H]3[C@H](O)[C@@H](/C=C/C=C/C(=O)O)O[C@@H]4[C@H](C)CCO[C@@]4(C)[C@@H]3C(C)=C[C@@H]2C1 ZINC000169348832 II Annotated Anodyne C=C1[C@@H]([C@H](C)CC)O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@H]2[C@@H]3CC=C(C)C[C@H]3C=C(C)[C@@]12O ZINC000169348835 II Annotated Mild NC(=O)c1cccnc1OCc1ccc(-c2ccc(OC[C@@H]3CCCO3)cc2Cl)cn1 ZINC000169348933 II Annotated Anodyne NC(=O)c1cccnc1OCc1ccc(-c2ccc(OC[C@H]3CCCO3)cc2Cl)cn1 ZINC000169348935 II Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2c(Br)cccc12 ZINC000169349258 II Annotated Bother CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000169349992 II Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000169349993 II Annotated Anodyne C[C@H]1COC2(CCN(S(=O)(=O)c3cc(-c4ccccc4)cc(C(F)(F)F)c3)CC2)O1 ZINC000169350170 II Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(Br)cc1 ZINC000169350239 II Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(Br)cc1 ZINC000169350241 II Annotated Anodyne CSc1ccc(/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 ZINC000169350248 II Annotated Anodyne CSc1ccc(/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 ZINC000169350249 II Annotated Anodyne CCOc1ccc(/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 ZINC000169350254 II Annotated Anodyne CCOc1ccc(/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 ZINC000169350255 II 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(Cl)cc1 ZINC000169350263 II 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(Cl)cc1 ZINC000169350264 II Annotated Anodyne COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 ZINC000169352871 II Annotated Anodyne O=C(NC[C@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000169354388 II Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(CC3CCCCC3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354916 II Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(CC3CCCCC3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354917 II Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(CC3CCCCC3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354918 II Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(CC3CCCCC3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169354919 II Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000169357300 II Annotated Anodyne CCN1C(NCc2cccc(Cl)c2)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000169357516 II Annotated Anodyne CCN1C(NCc2cccc(Cl)c2)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000169357517 II Annotated Anodyne C=C(C)CN1CC[C@@]23[C@H]4C5=C(OC)C=C[C@H]4C[C@H]1[C@]2(O)Cc1c(oc2ccccc12)[C@@H]3O5 ZINC000169358799 II Annotated Mild C=C(C)CN1CC[C@@]23[C@H]4C5=C(OC)C=C[C@@H]4C[C@@H]1[C@]2(O)Cc1c(oc2ccccc12)[C@@H]3O5 ZINC000169358800 II Annotated Mild C=C(C)CN1CC[C@@]23[C@H]4C5=C(OC)C=C[C@H]4C[C@@H]1[C@]2(O)Cc1c(oc2ccccc12)[C@@H]3O5 ZINC000169358801 II Annotated Mild COc1ccc(CS[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000169361551 II Annotated Anodyne COC(=O)C(=C[C@@]1(C)C[C@@H]2C=C[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000169362697 II Annotated Anodyne COC(=O)C(=C[C@]1(C)C[C@@H]2C=C[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000169362698 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](/C=C/C(F)(F)F)C2 ZINC000169362814 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](/C=C/C(F)(F)F)C[C@@H]1Cc1[nH]ncc12 ZINC000169362815 II Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000169362994 II Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000169362995 II Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000169362996 II Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/O[C@H]2CCCCO2)[C@]13C(=O)O ZINC000169366032 II Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/O[C@H]2CCCCO2)[C@]13C(=O)O ZINC000169366033 II Annotated Mild CCCCC#C[C@@H]1C=C[C@@H](Oc2cc(OC)c(OC)c(OC)c2)[C@@H](COC(=O)OCC)O1 ZINC000169367340 II Annotated Mild CCCCC#C[C@H]1C=C[C@@H](Oc2cc(OC)c(OC)c(OC)c2)[C@@H](COC(=O)OCC)O1 ZINC000169367341 II Annotated Mild CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@@H](O)[C@@H](C)C/C=C\Cc2cccc(O)c2C(=O)O1 ZINC000169367869 II Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000169368700 II Annotated Mild COC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000169368701 II Annotated Mild COC(=O)[C@H]1[C@@H](c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)[C@H]2C=C[C@H]1CC2 ZINC000169368702 II Annotated Mild CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N(C)[C@H]2[C@@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000169371156 II Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H]1OC[C@@H](C2)[C@@H]1C ZINC000169412373 II Annotated Anodyne COc1cc2c(cc1OC)N1Cc3cc(OC)c(OC)cc3N(C2)C1N(C)c1ccccc1 ZINC000169485073 II Annotated Clean COc1ccc(OC)c([C@@H]2N[C@@H](c3cc(OC)ccc3OC)[C@@H]3CC(C)C[C@@H]2C3=O)c1 ZINC000169578758 II Annotated Anodyne COc1ccc(OC)c([C@H]2N[C@@H](c3cc(OC)ccc3OC)[C@@H]3CC(C)C[C@@H]2C3=O)c1 ZINC000169578759 II Annotated Anodyne COc1ccc(OC)c([C@H]2N[C@H](c3cc(OC)ccc3OC)[C@@H]3CC(C)C[C@@H]2C3=O)c1 ZINC000169578760 II Annotated Anodyne CC1(C)O[C@]2(CC3=C4C(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@H]3O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000169651950 II 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]1Cl ZINC000169655156 II Annotated Reactive CC(C)(Cl)[C@@H]1CC[C@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@](C)(NC=O)[C@@H](O)[C@@H]32)O1 ZINC000169664637 II Annotated Reactive CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@](C)(NC=O)[C@@H](O)[C@@H]32)CC[C@H]1Cl ZINC000169664639 II Annotated Reactive COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc(-n3c(O)ccc3O)nn21 ZINC000169686862 II Annotated Anodyne COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc(-n3c(O)ccc3O)nn21 ZINC000169686863 II Annotated Anodyne CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1coc2ccccc2c1=O ZINC000169686970 II Annotated Anodyne CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1coc2ccccc2c1=O ZINC000169686971 II Annotated Anodyne COc1cccc(-n2c(O)c(CC(=O)Nc3ccc(F)cc3)n(C3CCCCC3)c2=O)c1 ZINC000169687152 II Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1 ZINC000169687343 II Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1 ZINC000169687344 II Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1 ZINC000169687345 II Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1 ZINC000169687346 II Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000169687404 II Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000169687405 II Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687615 II Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687616 II Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687617 II Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687618 II Annotated Anodyne COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C(C)=N/c1ccc(Cl)cc1 ZINC000169687978 II Annotated Mild COc1ccc(-n2c(O)cc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c2O)cc1 ZINC000169687993 II Annotated Anodyne O=c1c(C/N=N/c2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 ZINC000169688662 II Annotated Clean Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)o1 ZINC000169688995 II Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)o1 ZINC000169688996 II Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)o1 ZINC000169688997 II Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)o1 ZINC000169688998 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000169689225 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000169689226 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000169689227 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000169689229 II Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000169689483 II Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000169689485 II Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000169689486 II Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@@H]2C(C)=NC(=S)N[C@@H]2c2ccc(C)cc2)sc(C)c1C ZINC000169689857 II Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@H]2C(C)=NC(=S)N[C@@H]2c2ccc(C)cc2)sc(C)c1C ZINC000169689858 II Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@@H]2C(C)=NC(=S)N[C@H]2c2ccc(C)cc2)sc(C)c1C ZINC000169689859 II Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@H]2C(C)=NC(=S)N[C@H]2c2ccc(C)cc2)sc(C)c1C ZINC000169689860 II Annotated Anodyne Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)cn1NC(=O)c1ccc(O)cc1 ZINC000169689878 II Annotated Anodyne O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccco2)[C@@H]1C(=O)c1ccco1 ZINC000169689892 II Annotated Anodyne O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccco2)[C@H]1C(=O)c1ccco1 ZINC000169689893 II Annotated Anodyne O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccco2)[C@@H]1C(=O)c1ccco1 ZINC000169689894 II Annotated Anodyne O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccco2)[C@H]1C(=O)c1ccco1 ZINC000169689895 II Annotated Anodyne CCn1c(/C(C#N)=C(\NS(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 ZINC000169689932 II Annotated Reactive CCCCOc1cccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000169690011 II Annotated Anodyne CCCCOc1cccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000169690012 II Annotated Anodyne C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2)[C@@H](C#N)[C@@H]1c1ccco1 ZINC000169690431 II Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2)[C@H](C#N)[C@@H]1c1ccco1 ZINC000169690432 II Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2)[C@@H](C#N)[C@H]1c1ccco1 ZINC000169690433 II Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2)[C@H](C#N)[C@H]1c1ccco1 ZINC000169690434 II Annotated Mild Oc1ccc(C/N=N/c2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)c(O)c1 ZINC000169690467 II Annotated Clean CCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(CSC3=NCCS3)c1)[C@@H](C#N)C(=N)O2 ZINC000169691037 II Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(CSC3=NCCS3)c1)[C@@H](C#N)C(=N)O2 ZINC000169691038 II Annotated Mild CC1(C)CC(=O)[C@@H]2C(=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000169691057 II Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000169691058 II Annotated Anodyne CC1(C)CC(=O)[C@@H]2C(=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000169691059 II Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000169691060 II Annotated Anodyne Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2ccc(F)cc2)[C@@H](C#N)C(=N)O3)n1 ZINC000169691076 II Annotated Mild Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2ccc(F)cc2)[C@@H](C#N)C(=N)O3)n1 ZINC000169691077 II Annotated Mild CCOC(=O)c1ccc(-n2c(O)cc(N3CCC(Nc4ccc(F)cc4)CC3)c2O)cc1 ZINC000169691174 II Annotated Anodyne COc1ccc(-c2c[nH]nc2-[c-]2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2=O)cc1OC ZINC000169691228 II Annotated Bother COC(=O)c1c(-n2c(O)cc(Sc3ccccc3C(=O)O)c2O)sc2c1CCCC2 ZINC000169691791 II Annotated Anodyne CCOc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3ccco3)sc2c1 ZINC000169691843 II Annotated Anodyne CCOc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3ccco3)sc2c1 ZINC000169691844 II Annotated Anodyne CCOc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3ccco3)sc2c1 ZINC000169691845 II Annotated Anodyne CCOc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3ccco3)sc2c1 ZINC000169691846 II Annotated Anodyne COc1cc(C/N=N/c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O ZINC000169691864 II Annotated Clean COc1ccc(-n2c(O)c(C/N=N/c3nc(C)cc(C)n3)c3ccccc3c2=O)cc1OC ZINC000169691913 II Annotated Clean O=S(=O)(CCCC(F)(F)F)Oc1cccc(Oc2ccc(O)c3c2CC(CO)=C3)c1 ZINC000169692781 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccc(C)o4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000169693273 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccc(C)o4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000169693274 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccc(C)o4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000169693275 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccc(C)o4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000169693276 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000169693321 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000169693322 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000169693323 II Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000169693324 II Annotated Anodyne N=C(N/N=C/c1cccs1)Sc1cc(O)n(-c2ccc(Br)cc2)c1O ZINC000169693980 II Annotated Mild O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1Cl ZINC000169694171 II Annotated Anodyne CC(C)OCCOc1n[nH]c2ccc([C@@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@@H]3C#N)cc12 ZINC000169694600 II Annotated Reactive CC(C)OCCOc1n[nH]c2ccc([C@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@@H]3C#N)cc12 ZINC000169694601 II Annotated Reactive CC(C)OCCOc1n[nH]c2ccc([C@@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@H]3C#N)cc12 ZINC000169694602 II Annotated Reactive CC(C)OCCOc1n[nH]c2ccc([C@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@H]3C#N)cc12 ZINC000169694603 II Annotated Reactive CN(C)c1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694970 II Annotated Anodyne CN(C)c1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694971 II Annotated Anodyne CN(C)c1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694972 II Annotated Anodyne CN(C)c1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694973 II Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000169695027 II Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000169695028 II Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000169695029 II Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000169695030 II Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000169695051 II Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000169695052 II Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000169695053 II Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000169695054 II Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695080 II Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695081 II Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695082 II Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695083 II Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695084 II Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695085 II Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695086 II Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695088 II Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000169695097 II Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000169695098 II Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000169695099 II Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000169695100 II Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695331 II Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695332 II Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695333 II Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695334 II Annotated Anodyne COCc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695359 II Annotated Anodyne COCc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695360 II Annotated Anodyne COCc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695361 II Annotated Anodyne COCc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695362 II Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695471 II Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695472 II Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695473 II Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695474 II Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695479 II Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695480 II Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695481 II Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695482 II Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695858 II Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695859 II Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695860 II Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695861 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2c(c1)cc(C)n2C ZINC000169695906 II Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2c(c1)cc(C)n2C ZINC000169695907 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2c(c1)cc(C)n2C ZINC000169695908 II Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2c(c1)cc(C)n2C ZINC000169695909 II Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696106 II Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696107 II Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696108 II Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696109 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696114 II Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696115 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696116 II Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696117 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696172 II Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696173 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696174 II Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696175 II Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696250 II Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696251 II Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696252 II Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696253 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696254 II Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696255 II Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696256 II Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000169696257 II Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]2c2ccccc2OCC#N)cc1 ZINC000169696457 II Annotated Mild CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]2c2ccccc2OCC#N)cc1 ZINC000169696458 II Annotated Mild CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]2c2ccccc2OCC#N)cc1 ZINC000169696459 II Annotated Mild CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]2c2ccccc2OCC#N)cc1 ZINC000169696460 II Annotated Mild COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169696862 II Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1nc2ccccc2s1 ZINC000169696884 II Annotated Anodyne CNC(=O)c1n[nH]c2c1[C@@H](c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696915 II Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000169696923 II Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696925 II Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696926 II Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC)N(CCc2ccco2)C3=O)cc1 ZINC000169696947 II Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169696950 II Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccoc2)cn1 ZINC000169696967 II Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(Br)cn1 ZINC000169696975 II Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccco2)cn1 ZINC000169696981 II Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c([C@@H]3CC[C@H](O)CC3)n2)C1 ZINC000169697097 II Annotated Anodyne O=C(C[C@@H]1CCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697180 II Annotated Anodyne O=C(C[C@H]1CCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697181 II Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CC1(F)F ZINC000169697201 II Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CC1(F)F ZINC000169697202 II Annotated Anodyne CO[C@@H](C)CC(=O)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697203 II Annotated Anodyne CO[C@H](C)CC(=O)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697204 II Annotated Anodyne CCOCCC(=O)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697217 II Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCOc2ccccc2C1 ZINC000169700366 II Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCOc2ccccc2C1 ZINC000169700367 II Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCOc2ccccc2C1 ZINC000169700368 II Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCOc2ccccc2C1 ZINC000169700369 II Annotated Mild COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000169700409 II Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000169700410 II Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@@]21N=C(N)N(CC(F)F)C1=O ZINC000169700429 II Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@]21N=C(N)N(CC(F)F)C1=O ZINC000169700430 II Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cnc(C)nc3)cc1[C@@]21CC(=N)N(C(C)C)C1=O ZINC000169700449 II Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cnc(C)nc3)cc1[C@]21CC(=N)N(C(C)C)C1=O ZINC000169700450 II Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(C#N)cs3)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000169700463 II Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3cc(C#N)cs3)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000169700464 II Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3ccc(C#N)s3)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000169700465 II Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3ccc(C#N)s3)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000169700466 II Annotated Mild CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000169700594 II Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000169700595 II Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c(C)c1 ZINC000169700596 II Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c(C)c1 ZINC000169700597 II Annotated Anodyne NC1=N[C@@H](CCc2ccc(N[C@@H](c3ccc(Br)cn3)C(F)(F)F)cc2)CO1 ZINC000169701196 II Annotated Anodyne NC1=N[C@@H](CCc2ccc(N[C@H](c3ccc(Br)cn3)C(F)(F)F)cc2)CO1 ZINC000169701197 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3cc(CC(=O)O)cc4ccc(F)cc34)CC2)cc1 ZINC000169701465 II Annotated Anodyne CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(OC(F)F)cc2)CC3)n1 ZINC000169702317 II Annotated Anodyne Cn1ccc2ccc(CN3CCC[C@]4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cc21 ZINC000169702632 II Annotated Anodyne Cn1ccc2ccc(CN3CCC[C@@]4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cc21 ZINC000169702633 II Annotated Anodyne CC1(C)Cc2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)ccc2O1 ZINC000169702658 II Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(C(C)C)CC2)cc1 ZINC000169702693 II Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702718 II Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702719 II Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702720 II Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702721 II Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702722 II Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702723 II Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702724 II Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702725 II Annotated Bother CCOc1cc(C2=NC(=O)N[C@@H](c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702738 II Annotated Bother CCOc1cc(C2=NC(=O)N[C@H](c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702739 II Annotated Bother CCOc1cc(C2=NC(=O)N[C@@H](c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702740 II Annotated Bother CCOc1cc(C2=NC(=O)N[C@H](c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702741 II Annotated Bother CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3C)cc2)c(CC)c1CC(=O)O ZINC000169703187 II Annotated Anodyne [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 ZINC000169703240 II Annotated Reactive [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 ZINC000169703241 II Annotated Reactive [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 ZINC000169703242 II Annotated Reactive [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 ZINC000169703243 II Annotated Reactive Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21 ZINC000169703537 II Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4ccncc4)c3)ccnc21 ZINC000169703553 II Annotated Anodyne CN(CC1CCOCC1)c1cccc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)n1 ZINC000169703710 II Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(N[C@@H]4CC45CCOCC5)n3)c(Cl)cn2)CC1 ZINC000169703794 II Annotated Anodyne CCc1ncc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000169703808 II Annotated Anodyne CN(CC1CCOCC1)c1cncc(-c2cc(N[C@@H]3CC[C@@H](CO)CC3)ncc2Cl)n1 ZINC000169703816 II Annotated Anodyne Cc1ccc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1 ZINC000169704119 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1cccc(F)c1 ZINC000169704500 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1cccc(F)c1 ZINC000169704501 II Annotated Anodyne Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N ZINC000169704643 II Annotated Anodyne Cc1cnc(N)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704644 II Annotated Anodyne COc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncn1 ZINC000169704651 II Annotated Anodyne CNc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncn1 ZINC000169704659 II Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(O)cn4)ccn23)c1 ZINC000169704668 II Annotated Anodyne Cc1nc(N)cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704674 II Annotated Anodyne N#Cc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nn1 ZINC000169704707 II Annotated Mild O=C(NCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ncccn4)ccn23)c1 ZINC000169704748 II Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(N)c1 ZINC000169704802 II Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000169706357 II Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000169706358 II Annotated Mild CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCc2ccccc2)c1 ZINC000169707046 II Annotated Anodyne Cc1cccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(CC(F)(F)F)c2)c1 ZINC000169707060 II Annotated Anodyne CC(C)C(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707077 II Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2C)c1 ZINC000169707083 II Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2)c1 ZINC000169707093 II Annotated Anodyne CC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1 ZINC000169707101 II Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1 ZINC000169707115 II Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1 ZINC000169707120 II Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2F)c1 ZINC000169707121 II Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1 ZINC000169707141 II Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(F)c2)n1 ZINC000169707148 II Annotated Anodyne Cc1ccccc1-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cccc(C(F)(F)F)c1 ZINC000169707160 II Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccccc2F)n1 ZINC000169707164 II Annotated Anodyne Cc1ccc(-n2nc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000169707166 II Annotated Anodyne CCC(C)(C)Oc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707208 II Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CCC)nn2-c2ccccc2)c1 ZINC000169707211 II Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3CCC)nn2-c2ccccc2)c1 ZINC000169707217 II Annotated Anodyne CC(C)(C)COCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707228 II Annotated Anodyne CCCOC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707246 II Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3C(C)C)nn2-c2ccccc2)c1 ZINC000169707248 II Annotated Anodyne CCC(CC)OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707250 II Annotated Anodyne CC(C)(C)OCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707256 II Annotated Anodyne CC(C)(C)OCc1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707257 II Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC(C)C)c2)c1 ZINC000169707268 II Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OC(C)C)cc2)c1 ZINC000169707295 II Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2OC(C)C)c1 ZINC000169707300 II Annotated Anodyne CCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CCC)c2)c1 ZINC000169707302 II Annotated Anodyne CCCOc1ccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CCC)c2)cc1 ZINC000169707305 II Annotated Anodyne CCCO[C@H](C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707317 II Annotated Anodyne CCCO[C@@H](C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707318 II Annotated Anodyne CCC(C)(C)[C@@H](O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707343 II Annotated Anodyne CCC(C)(C)[C@H](O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707344 II Annotated Anodyne CCC(C)(C)C(=O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707378 II Annotated Anodyne CC(C)CSc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707438 II Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1CO[C@@H](c1ccc(C(N)=O)cn1)C(F)(F)F ZINC000169707491 II Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1CO[C@H](c1ccc(C(N)=O)cn1)C(F)(F)F ZINC000169707492 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707640 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc4ccccc43)c2)c2cncnc21 ZINC000169707677 II Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(-c4ccccc4)cc3)c2)c2cncnc21 ZINC000169707734 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21 ZINC000169707810 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(N(C)C(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707851 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nccc4occc34)c2)c2cncnc21 ZINC000169707920 II Annotated Anodyne CC(C)c1csc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707962 II Annotated Anodyne Cc1coc2cnc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12 ZINC000169707963 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cnccc4o3)c2)c2cncnc21 ZINC000169707974 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4occc4cn3)c2)c2cncnc21 ZINC000169707975 II Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4occc4c3)c2)c2cncnc21 ZINC000169708008 II Annotated Anodyne CN(C(=O)Cc1ccc(F)cc1)c1cncc(C(=O)c2cn(C(C)(C)C)c3ncncc23)c1 ZINC000169708048 II Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cc3)c2)c2cncnc21 ZINC000169708052 II Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C(F)(F)F)n3)C2)cc1 ZINC000169709258 II Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccc(F)c(C(F)(F)F)n3)C2)cc1 ZINC000169709259 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4ccncc4)cc3)C2)ccn1 ZINC000169709401 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4ccncc4)cc3)C2)ccn1 ZINC000169709402 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4ccno4)cc3)C2)ccn1 ZINC000169709403 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4ccno4)cc3)C2)ccn1 ZINC000169709404 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4CC(F)C4)cc3)C2)ccn1 ZINC000169709411 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C4CC(F)C4)cc3)C2)ccn1 ZINC000169709412 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cnco4)cc3)C2)ccn1 ZINC000169709418 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4cnco4)cc3)C2)ccn1 ZINC000169709421 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4(C#N)CC4)cc3)C2)ccn1 ZINC000169709444 II Annotated Mild CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C4(C#N)CC4)cc3)C2)ccn1 ZINC000169709445 II Annotated Mild CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4ccon4)cc3)C2)ccn1 ZINC000169709446 II Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4ccon4)cc3)C2)ccn1 ZINC000169709447 II Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709457 II Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709459 II Annotated Anodyne C[C@H](NC(=O)CCC#N)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709476 II Annotated Mild C[C@H](NC(=O)CCC#N)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709477 II Annotated Mild C[C@H](NC(=O)c1ccon1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709494 II Annotated Anodyne C[C@H](NC(=O)c1ccon1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709495 II Annotated Anodyne C[C@H](NC(=O)c1ccno1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709496 II Annotated Anodyne C[C@H](NC(=O)c1ccno1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709497 II Annotated Anodyne C[C@H](NC(=O)C1(C#N)CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709520 II Annotated Mild C[C@H](NC(=O)C1(C#N)CC1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709521 II Annotated Mild C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709524 II Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709526 II Annotated Anodyne C[C@H](NC(=O)c1ccon1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709531 II Annotated Anodyne C[C@H](NC(=O)c1ccon1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709532 II Annotated Anodyne C[C@H](NC(=O)C(C)(C)F)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709552 II Annotated Anodyne C[C@H](NC(=O)C(C)(C)F)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709553 II Annotated Anodyne C[C@H](NC(=O)c1ccno1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709565 II Annotated Anodyne C[C@H](NC(=O)c1ccno1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709566 II Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709639 II Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709640 II Annotated Anodyne CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709678 II Annotated Anodyne CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709679 II Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709702 II Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709703 II Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709706 II Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709707 II Annotated Anodyne CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)c1F ZINC000169709730 II Annotated Anodyne CCCNc1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)c1F ZINC000169709731 II Annotated Anodyne CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)NCC)cc3)C2)c1F ZINC000169709732 II Annotated Anodyne CCCNc1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)NCC)cc3)C2)c1F ZINC000169709733 II Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2CCc3nc(CS)ncc3C2)n1 ZINC000169710085 II Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(N2Cc3cnc(CS)nc3C2)ccn1 ZINC000169710092 II Annotated Mild Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCN(C)C4=O)CC3)cc12 ZINC000169710325 II Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710508 II Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000169710509 II Annotated Anodyne Cc1ccc(F)cc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 ZINC000169710727 II Annotated Anodyne Cc1ccc(F)cc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 ZINC000169710728 II Annotated Anodyne CC(C)(c1ccccc1)c1noc(N[C@@H]2CC[C@@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 ZINC000169710808 II Annotated Anodyne CCc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 ZINC000169711767 II Annotated Anodyne COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2cccc3ccccc23)cc1 ZINC000169712360 II Annotated Mild COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2cccc3ccccc23)cc1 ZINC000169712361 II Annotated Mild CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H](C)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169712618 II Annotated Anodyne O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccccc1)c1c(O)c(O)c2ccccc2c1O ZINC000169714712 II Annotated Mild O=c1n(-c2ccccc2Oc2ccccc2)cc(O)n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000169715258 II Annotated Anodyne Nc1ccc(SSCCNC(=O)[C@@H](Cc2cccc(Br)c2)N=O)cc1 ZINC000169717446 II Annotated Reactive Nc1ccc(SSCCNC(=O)[C@H](Cc2cccc(Br)c2)N=O)cc1 ZINC000169717447 II Annotated Reactive CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1c(O)c(O)cc(N[C@@H](C=O)C(=O)O)c1O ZINC000169717708 II Annotated Mild CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](c2ccc(C(C)(C)C)cc2)C1=O ZINC000169718188 II Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](c2ccc(C(C)(C)C)cc2)C1=O ZINC000169718189 II Annotated Anodyne C[N+](c1ccccc1)=c1ccn(C[C@H]2C[C@H]2Cn2ccc(=[N+](C)c3ccccc3)cc2)cc1 ZINC000169718373 II Annotated Anodyne O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc2c(c1)CCC2 ZINC000169718850 II Annotated Anodyne O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc2c(c1)CCCC2 ZINC000169718864 II Annotated Anodyne CN(CCCC[C@@H]1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169719602 II Annotated Reactive CN(CCCC[C@H]1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169719603 II Annotated Reactive CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCc3ccccn3)cc2C1=[N+](C)[O-] ZINC000169720140 II Annotated Mild CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccccc1Cl ZINC000169720526 II Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccccc1Cl ZINC000169720527 II Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1Cl ZINC000169720528 II Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1Cl ZINC000169720529 II Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc(Cl)cc1 ZINC000169720531 II Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc(Cl)cc1 ZINC000169720532 II Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc(Cl)cc1 ZINC000169720533 II Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc(Cl)cc1 ZINC000169720534 II Annotated Anodyne COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)OC(=N)[C@@H]2C#N)cc1 ZINC000169721891 II Annotated Mild COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)OC(=N)[C@@H]2C#N)cc1 ZINC000169721892 II Annotated Mild CC1=NC(NCc2ccccc2)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723126 II Annotated Clean CC1=NC(NCc2ccccc2)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723127 II Annotated Clean CC1=NC(NCc2ccccc2)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723128 II Annotated Clean CC1=NC(NCc2ccccc2)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723129 II Annotated Clean COc1ccc2cc3n(cc-2/c1=N/CCc1ccccn1)CCc1cc2c(cc1-3)OCO2 ZINC000169725110 II Annotated Anodyne O=NCc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000169727031 II Annotated Mild COc1ccc([C@H]2c3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)ON2c2ccccc2)cc1 ZINC000169728043 II Annotated Anodyne COc1cccc([C@H]2c3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)ON2c2ccccc2)c1 ZINC000169728044 II Annotated Anodyne COc1ccccc1[C@H]1c2c(c(O)n(-c3ccc(C(=O)O)cc3)c2O)ON1c1ccccc1 ZINC000169728045 II Annotated Anodyne O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccc(O)cc2)N(c2ccccc2)O3)cc1 ZINC000169728049 II Annotated Anodyne O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2O)N(c2ccccc2)O3)cc1 ZINC000169728050 II Annotated Clean COc1ccc2c([C@@H]3C4=C(C[C@@H](c5ccccc5)CC4=O)OC(=N)[C@@H]3C#N)cc(=O)oc2c1 ZINC000169728474 II Annotated Mild COc1ccc2c([C@H]3C4=C(C[C@@H](c5ccccc5)CC4=O)OC(=N)[C@@H]3C#N)cc(=O)oc2c1 ZINC000169728475 II Annotated Mild CCCCCCCCCCCCCCCCCCO[C@@H]1C(=O)O[C@H]([C@@H](O)CO)C1=O ZINC000169728602 II Annotated Mild CC(C)Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCC[C@@H](C)C4)n3)cc2)c1=O ZINC000169729150 II Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCC[C@H](C)C4)n3)cc2)c1=O ZINC000169729151 II Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCC[C@@H](F)C4)n3)cc2)c1=O ZINC000169729161 II Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCC[C@H](F)C4)n3)cc2)c1=O ZINC000169729162 II Annotated Anodyne O=c1n(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)cc(O)n1CC1CC1 ZINC000169729167 II Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O ZINC000169729169 II Annotated Anodyne O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1CC(F)(F)F ZINC000169729172 II Annotated Anodyne COC(=O)c1ccc2[nH]c([C@H]3C(=O)N(C)c4c(Br)cccc43)c(N=O)c2c1 ZINC000169729492 II Annotated Anodyne COC(=O)c1ccc2[nH]c([C@@H]3C(=O)N(C)c4c(Br)cccc43)c(N=O)c2c1 ZINC000169729493 II Annotated Anodyne CN(C)Cc1cccc(/N=C(\c2ccccc2)[C@H]2C(=O)Nc3cc(C(=O)N(C)C)ccc32)c1 ZINC000169729852 II Annotated Mild CN(C)Cc1cccc(/N=C(\c2ccccc2)[C@@H]2C(=O)Nc3cc(C(=O)N(C)C)ccc32)c1 ZINC000169729853 II Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(Cl)c2)c1 ZINC000169730369 II Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(Cl)c2)c1 ZINC000169730370 II Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2Cl)c1 ZINC000169730373 II Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2Cl)c1 ZINC000169730374 II Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(Cl)c2)cc1 ZINC000169730383 II Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(Cl)c2)cc1 ZINC000169730384 II Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2Cl)cc1 ZINC000169730391 II Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2Cl)cc1 ZINC000169730392 II Annotated Mild O=C(c1ccccc1)N1[C@@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000017210348 II Annotated Anodyne C[C@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)Sc1ccccc1N ZINC000017210754 II Annotated Anodyne C[C@@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)Sc1ccccc1N ZINC000017210760 II Annotated Anodyne CC1(C)Oc2ccccc2N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@]21c1ccccc1 ZINC000017213577 II Annotated Anodyne CC[C@@H]1N[C@@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000017218309 II Annotated Clean CC[C@H]1N[C@@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000017218311 II Annotated Clean C=C[C@]1(C)CC[C@@H]([C@H](C)C(=O)[C@H](C=C(C)C)OC(C)=O)[C@]12C(=O)Oc1ccccc1C2=O ZINC000017220081 II Annotated Mild C=C[C@]1(C)CC[C@@H]([C@@H](C)C(=O)[C@H](C=C(C)C)OC(C)=O)[C@]12C(=O)Oc1ccccc1C2=O ZINC000017220084 II Annotated Mild C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)[C@H](C=C(C)C)OC(C)=O)[C@]12C(=O)Oc1ccccc1C2=O ZINC000017220087 II Annotated Mild C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)[C@H](C=C(C)C)OC(C)=O)[C@]12C(=O)Oc1ccccc1C2=O ZINC000017220090 II Annotated Mild Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2 ZINC000017222123 II Annotated Bother COc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1OC ZINC000017222133 II Annotated Anodyne Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccc3ccccc3c1O)SC(N)=N2 ZINC000017222196 II Annotated Anodyne CCN(CC)C1CCC([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)CC1 ZINC000017250852 II Annotated Anodyne CCCCCc1cc2cc3c(c(O)c2c(=O)[nH]1)C1(CCC3)C(=O)c2c(O)ccc(O)c2C1=O ZINC000017259257 II Annotated Clean CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000170117993 II Annotated Reactive 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]4CC(=O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000017654703 II Annotated Anodyne in-vitro 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]4CC(=O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000017654704 II Annotated Anodyne in-vitro O=C(C[C@@H]1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000017920661 II Annotated Mild COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 ZINC000017975279 II Annotated Anodyne CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 ZINC000018055543 II Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)C3CCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018059902 II Annotated Anodyne COc1ccc([C@H]2C=CCN(Cc3ccncc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018062410 II Annotated Anodyne COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 ZINC000018090354 II Annotated Mild COc1ccc([C@@H]2C=CCN(C(=O)C3CCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018178714 II Annotated Anodyne COc1ccc([C@@H]2C=CCN(Cc3ccncc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018189021 II Annotated Anodyne COc1ccc(/C=C2\OC(=O)[C@@H](Cc3cc(Cl)c4c(c3)OCO4)[C@@]2(O)C(C)C)cc1 ZINC000018206718 II Annotated Anodyne O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1 ZINC000018246124 II Annotated Mild O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1 ZINC000018246126 II Annotated Mild COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1 ZINC000018246130 II Annotated Mild COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1 ZINC000018246131 II Annotated Mild COCCOc1cccc(CN2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000019117129 II Annotated Anodyne COCCOc1cccc(CN2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000019117132 II Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194862801 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194862815 II Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194862825 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194862839 II Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC[Si](C)(C)C ZINC000194863796 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC[Si](C)(C)C ZINC000194863808 II Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC[Si](C)(C)C ZINC000194863827 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC[Si](C)(C)C ZINC000194863842 II Annotated Anodyne CC(=O)CCC(=O)OCC[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 ZINC000194953484 II Annotated Mild CC(=O)CCC(=O)OCC[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 ZINC000194953505 II Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000194955509 II Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000194955523 II Annotated Mild COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)c(OC)c1 ZINC000019631959 II Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)c(OC)c1 ZINC000019631962 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000019634000 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000019634004 II Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000019643469 II Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000019643472 II Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000019646227 II Annotated Mild O=C1CCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)Cc2ccc(F)cc2)N1 ZINC000019711722 II Annotated Anodyne O=C1CCCC[C@@H]2[C@H](CCN2C(=O)CCOc2cccc(F)c2)N1Cc1ccccc1F ZINC000019713863 II Annotated Anodyne OCC[C@H]1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CCN1C1CCCCC1 ZINC000019790229 II Annotated Anodyne Cc1ccc(-n2cc(CN3CCN(Cc4nccn4C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019838703 II Annotated Anodyne O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019838782 II Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)NC2CCCCC2)[C@@]13C(=O)O ZINC000195033425 II Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)NC2CCCCC2)[C@@]13C(=O)O ZINC000195033435 II Annotated Mild CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3c4cc5c(cc4CN[C@H]3[C@@H]2O1)OCO5 ZINC000195134241 II Annotated Reactive COc1cc(C2=C(c3ccccc3)[C@@H](O[SiH2]C(C)(C)C)CC2=O)cc(OC)c1OC ZINC000195222271 II Annotated Reactive COc1cc(C2=C(c3ccccc3)[C@H](O[SiH2]C(C)(C)C)CC2=O)cc(OC)c1OC ZINC000195222278 II Annotated Reactive CC(C)(C)[Si](C)(C)Oc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000195226044 II Annotated Reactive CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C3c4cc5c(cc4CN[C@H]3[C@@H]2O1)OCO5 ZINC000195234340 II Annotated Reactive C[C@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000195270009 II Annotated Mild C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000195270022 II Annotated Mild CCCCCCOC[C@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195282610 II Annotated Mild c1ccc(C[C@H]2CN(c3ccc4ccccc4c3)CCN2CCNC[C@H]2CCCO2)cc1 ZINC000195301254 II Annotated Anodyne C=C(C)CN1CC[C@]23[C@H]4OC5=C(OC)C=C[C@H](C[C@H]1[C@]2(O)Cc1c4oc2ccccc12)[C@@H]53 ZINC000195302723 II Annotated Mild C=C(C)CN1CC[C@]23[C@H]4OC5=C(OC)C=C[C@@H](C[C@H]1[C@]2(O)Cc1c4oc2ccccc12)[C@@H]53 ZINC000195302736 II Annotated Mild COC(=O)[C@@H]1[C@@H]2C=C[C@H](CC2)[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000195319871 II Annotated Mild COC(=O)[C@H]1[C@@H]2C=C[C@H](CC2)[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000195319876 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@H](c2cccc(F)c2)N[C@H]3c2cccc(F)c2)N1 ZINC000195339846 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)N1 ZINC000195339855 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@H]3c2ccc(F)cc2)N1 ZINC000195343415 II Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)N1 ZINC000195343425 II Annotated Mild C=C1C[C@@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000195371644 II Annotated Reactive C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000195371650 II Annotated Reactive C=C1C[C@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000195371658 II Annotated Reactive C=C1C[C@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000195371664 II Annotated Reactive O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](/C=C/C(F)(F)F)C2 ZINC000195374301 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](/C=C/C(F)(F)F)C2 ZINC000195374307 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](/C=C/C(F)(F)F)C2 ZINC000195374315 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@@H](/C=C/C(F)(F)F)C2 ZINC000195374324 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](/C=C\C(F)(F)F)C2 ZINC000195376408 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](/C=C\C(F)(F)F)C2 ZINC000195376415 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@@H](/C=C\C(F)(F)F)C2 ZINC000195376422 II Annotated Anodyne CC[N+]1(C)CC[C@](O)(/C=C/c2ccc(OC)cc2)[C@@H](C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC000195431378 II Annotated Mild CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000195449627 II Annotated Anodyne CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000195449635 II Annotated Anodyne O=C1C([C@@H]2NCCc3ccccc32)=C(O)C[C@H](c2c(F)cccc2Cl)[C@H]1n1cncn1 ZINC000195453024 II Annotated Mild O=C(c1cccs1)N1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000195471233 II Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000195471239 II Annotated Anodyne CC1(C)[C@@]23C[C@H](Br)[C@](C)(Cl)C[C@@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000195483877 II Annotated Reactive CC1(C)[C@@]23C[C@H](Br)[C@](C)(Cl)C[C@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000195483883 II Annotated Reactive CC1(C)[C@@]23C[C@H](Br)[C@@](C)(Cl)C[C@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000195483887 II Annotated Reactive CCOC(=O)/C=C/[C@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000195491874 II Annotated Reactive O=C(C1CCCCC1)N1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000195499980 II Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000195499983 II Annotated Anodyne CCN1C(NCc2cccc(Cl)c2)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000195500873 II Annotated Anodyne CCN1C(NCc2cccc(Cl)c2)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000195500876 II Annotated Anodyne O=C(c1ccccc1)N1[C@@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000195515232 II Annotated Anodyne O=C(c1ccccc1)N1[C@H]2[C@@H]3O[C@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000195515234 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](c3ccc(OC)c(OC)c3)[C@@H]3CC(C)C[C@@H]2C3=O)cc1OC ZINC000195521621 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(OC)c3)[C@@H]3CC(C)C[C@@H]2C3=O)cc1OC ZINC000195521623 II Annotated Anodyne COc1ccc([C@H]2N[C@H](c3ccc(OC)c(OC)c3)[C@@H]3CC(C)C[C@@H]2C3=O)cc1OC ZINC000195521625 II Annotated Anodyne C=CCOC(=O)C1=C([C@@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12 ZINC000196029754 II Annotated Reactive C=CCOC(=O)C1=C([C@@H]2CCCO2)S[C@@H]2[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12 ZINC000196215847 II Annotated Reactive C=CCOC(=O)C1=C([C@@H]2CCCO2)S[C@@H]2[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12 ZINC000196215855 II Annotated Reactive C=CCOC(=O)C1=C([C@@H]2CCCO2)S[C@@H]2[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12 ZINC000196215862 II Annotated Reactive C#C/C=C/C[C@@H](Cl)[C@H](C[C@H]1O[C@@H](CC)[C@H](Br)C[C@H]1Cl)OC(C)=O ZINC000197190316 II Annotated Reactive CC1=C(CC/C(C)=C/C(=O)O)[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)[C@](C)(CO)[C@@H]2[C@H](O)C1 ZINC000197240731 II Annotated Anodyne CC(C)OC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CCl)cc2)cc1 ZINC000197952778 II Annotated Reactive CCCOC(=O)[C@H]1[C@@H](C(=O)OCCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000197962275 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000197962281 II Annotated Anodyne CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCC)ccc12 ZINC000197962768 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCC)ccc12 ZINC000197962776 II Annotated Anodyne C=C(C)C[C@H](OC)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1OCCO1 ZINC000197978585 II Annotated Reactive COC1=CC(=O)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C ZINC000197978852 II Annotated Reactive C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)CN(CCc1cnc[nH]1)C3=O ZINC000198019703 II Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)N(CCc1cnc[nH]1)C3 ZINC000198020672 II Annotated Anodyne C=CCC1=C[C@]23C[C@H](C(C)(C)Oc4cc5c(cc4CC=C)OCO5)O[C@@]2(CC1=O)OCO3 ZINC000198351446 II Annotated Mild C=CCc1cc2c(cc1OC(C)(C)[C@H]1C[C@@]34C[C@@H](CC=C)C(=O)C[C@@]3(OCO4)O1)OCO2 ZINC000198351865 II Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000198804586 II Annotated Mild CC1(C)O[C@]2(CC3=C4C(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000198810391 II Annotated Anodyne COc1ccc2c(c1)[C@]1(N=C(N)N3[C@H]1CCC[C@@H]3C(F)(F)F)C1(CCC(OC)CC1)C2 ZINC000199087574 II Annotated Anodyne COc1ccc2c(c1)[C@]1(N=C(N)N3[C@@H](C(F)(F)F)CCC[C@@H]31)C1(CCC(OC)CC1)C2 ZINC000199087600 II Annotated Anodyne Cc1ccc2c(c1)-c1c(c(=O)n(Cc3ccc(F)cc3)c3nnnn13)C1(CCCCC1)C2 ZINC000199229987 II Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccncc3)[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000199239336 II Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccncc3)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000199239351 II Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cccnc3)[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000199239383 II Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cccnc3)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000199239399 II Annotated Anodyne CC(=O)N1CCN([C@@H](C(=O)Nc2c(C)cccc2C)c2ccccc2OC(F)(F)F)CC1 ZINC000199245620 II Annotated Anodyne CC(=O)N1CCN([C@H](C(=O)Nc2c(C)cccc2C)c2ccccc2OC(F)(F)F)CC1 ZINC000199245635 II Annotated Anodyne COCC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000199354161 II Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000199359589 II Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000199359608 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(F)cc1 ZINC000199422228 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(F)cc1 ZINC000199422243 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199424379 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199424392 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(F)c1 ZINC000199432940 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(F)c1 ZINC000199432956 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(F)cc1 ZINC000199433019 II Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(F)cc1 ZINC000199433039 II Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000199653303 II Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000199653323 II Annotated Reactive in-man endogenous COC(=O)[C@]1(Cc2ccccc2)NC=C(C(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000199721260 II Annotated Mild Cc1noc(C)c1S(=O)(=O)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000199726028 II Annotated Anodyne COCc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)N(c1ccc(OC)cc1)C2=O ZINC000199731458 II Annotated Anodyne COCc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(c1ccc(OC)cc1)C2=O ZINC000199731471 II Annotated Anodyne COc1ccc(-c2nnn3c2[C@H]2c4cc(-c5cccc(F)c5)ccc4CCN2C(=O)C3)cc1 ZINC000199736578 II Annotated Anodyne COc1ccc(-c2nnn3c2[C@@H]2c4cc(-c5cccc(F)c5)ccc4CCN2C(=O)C3)cc1 ZINC000199736597 II Annotated Anodyne CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)Nc2cccc3ccccc23)C[C@H]1c1ccccc1 ZINC000199737020 II Annotated Anodyne C=CCNC(=S)N(C)[C@H]1C[C@H]2c3cc(-c4ccccc4C)ccc3CCN2C[C@H]1[C@H](C)O ZINC000199740380 II Annotated Mild Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(c3ccccc3)c3ccccc31)C1=C(CCCC1=O)O2 ZINC000199741444 II Annotated Mild O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1 ZINC000002007030 II Annotated Anodyne CCc1c(COc2ccc(C(=O)CC(C)(C)Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O ZINC000002013005 II Annotated Anodyne Cc1ccc(C/N=C(\O)[C@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 ZINC000002108506 II Annotated Mild C[C@H](/N=C(\O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O)c1ccccc1 ZINC000002109889 II Annotated Mild C[C@@H](/C(O)=N/[C@H](C)c1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002109891 II Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c(Cl)cc12 ZINC000002114438 II Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c(Cl)cc12 ZINC000002114440 II Annotated Anodyne Cc1c(O[C@@H](C)C(=O)NCC2CCC(C(=O)O)CC2)ccc2c1oc(=O)c1ccccc12 ZINC000002120091 II Annotated Bother Cc1c(O[C@H](C)C(=O)NCC2CCC(C(=O)O)CC2)ccc2c1oc(=O)c1ccccc12 ZINC000002120092 II Annotated Bother CC(C)C[C@@H](/C(O)=N/Cc1ccco1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002131166 II Annotated Mild CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002158307 II Annotated Anodyne CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002158309 II Annotated Anodyne CCCCOc1cccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000002160630 II Annotated Anodyne CCCCOc1cccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000002160655 II Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000002292673 II Annotated Mild CCOCCCn1cnc2c[n+](CC(=O)c3ccc(Cl)cc3)cc(Br)c21 ZINC000002311368 II Annotated Mild O=C1CN(C(=O)c2ccco2)[C@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456336 II Annotated Anodyne O=C1CN(C(=O)c2ccco2)[C@@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456338 II Annotated Anodyne O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456483 II Annotated Anodyne O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456485 II Annotated Anodyne O=C1CN(C(=O)c2ccc(Br)o2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456664 II Annotated Anodyne O=C1CN(C(=O)c2ccc(Br)o2)[C@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456666 II Annotated Anodyne O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456736 II Annotated Anodyne O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456738 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC[C@@H]1C)[C@@H](c1cccs1)N(C)C2=O ZINC000002459425 II Annotated Anodyne Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCc4cccs4)nn3c2C)cc1 ZINC000002461257 II Annotated Anodyne Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1 ZINC000002467114 II Annotated Anodyne aggregator CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468742 II Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@H]1c1cn(C)c2ccccc12 ZINC000002468744 II Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468745 II Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@H]1c1cn(C)c2ccccc12 ZINC000002468746 II Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002478213 II Annotated Bother COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002478328 II Annotated Bother COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480236 II Annotated Anodyne COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000002480285 II Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480421 II Annotated Bother COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000002480893 II Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482285 II Annotated Bother COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482401 II Annotated Bother COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002483115 II Annotated Anodyne COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000002483206 II Annotated Anodyne COCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000002483372 II Annotated Anodyne COC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@H](C)C(=O)c1ccc(C)cc1 ZINC000002486323 II Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487130 II Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487132 II Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487312 II Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487314 II Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002487413 II Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002487414 II Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002487416 II Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002487418 II Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487569 II Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487572 II Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002487615 II Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002487617 II Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489379 II Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489384 II Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491528 II Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491531 II Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492522 II Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492524 II Annotated Anodyne CC(C)[C@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002497397 II Annotated Anodyne CC(C)[C@@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002497399 II Annotated Anodyne CC(C)[C@H]1Cc2c(sc3nc(S[C@H](C)C(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002497400 II Annotated Anodyne CC(C)[C@@H]1Cc2c(sc3nc(S[C@H](C)C(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002497403 II Annotated Anodyne C[C@H]([C@@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000002497943 II Annotated Anodyne CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000002499033 II Annotated Anodyne CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000002499036 II Annotated Anodyne CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000002499041 II Annotated Anodyne CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000002499047 II Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)CC1 ZINC000002499554 II Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000002499607 II Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(Cc5ccccc5)nc4n3)C[C@@H]2C)c1 ZINC000002499689 II Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(Cc5ccc(F)cc5)nc4n3)C[C@@H]2C)c1 ZINC000002499692 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000020028998 II Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccs1 ZINC000020029000 II Annotated Mild Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000020103475 II Annotated Anodyne Cc1c(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cccc1[N+](=O)[O-] ZINC000020104872 II Annotated Bother Cc1c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cccc1[N+](=O)[O-] ZINC000020104874 II Annotated Bother Cc1c(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC000020104876 II Annotated Bother Cc1c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC000020104878 II Annotated Bother COc1cc(OC)c(/N=C(\O)C/N=C(\O)Cn2c(C)cc3ccccc3c2=O)cc1Cl ZINC000020112514 II Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000020115981 II Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000020115983 II Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000020115985 II Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000020115986 II Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000020117288 II Annotated Anodyne CC1=CC=CN2C(=O)[C@@](Cc3ccc(Cl)cc3)(NC(=O)c3ccccc3Cl)N=C12 ZINC000020134549 II Annotated Anodyne CC1=CC=CN2C(=O)[C@](Cc3ccc(Cl)cc3)(NC(=O)c3ccccc3Cl)N=C12 ZINC000020134552 II Annotated Anodyne Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000020215952 II Annotated Anodyne Cc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000020215956 II Annotated Anodyne CSc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1 ZINC000020215958 II Annotated Anodyne Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCCCOC(C)C)n2n1 ZINC000020377184 II Annotated Anodyne Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCN(Cc3ccccc3Cl)C1)CO2 ZINC000020380120 II Annotated Anodyne CC1CCC(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2CCN2CCCCCC2)CC1 ZINC000020387533 II Annotated Anodyne CC1CCC(NC(=O)[C@]2(C)Cc3ccccc3C(=O)N2CCN2CCCCCC2)CC1 ZINC000020387539 II Annotated Anodyne CSc1ccc(CCNC(=O)CSCc2cc(C(=O)C(F)(F)F)n(C)c2)cc1 ZINC000020413777 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCC)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200068806 II Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC[Si](C)(C)C ZINC000200070422 II Annotated Anodyne CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CCC(=O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1 ZINC000200193910 II Annotated Anodyne CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CCC(=O)[C@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1 ZINC000200193944 II Annotated Anodyne CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](NC=O)[C@@H]32)CC[C@@H]1Cl ZINC000200381797 II Annotated Reactive OCCN1CCN(CC/C=C2\c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1 ZINC000201075193 II Annotated Anodyne world OCCN1CCN(CC/C=C2\c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1 ZINC000201075230 II Annotated Anodyne world O=S(=O)(c1ccc(Br)s1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000201454011 II Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12 ZINC000201483245 II Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NC)c2cc(OC)c(OC)cc12 ZINC000201591892 II Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc4c(cc3nc2NC)OCO4)c2cc(OC)c(OC)cc12 ZINC000201605132 II Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@H](O)[C@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000201668973 II Annotated Anodyne CCCCC[C@@H](C[C@@H]1CC[C@@H](C)C(=O)N(C)/C=C/CC(=O)O[C@@H](C(C)C)C(=O)O1)OC ZINC000201687041 II Annotated Anodyne C[C@@H](NC(=O)N1CCc2cnc(Nc3ccnn3C)nc2C1)c1ccc(Cl)c(Cl)c1 ZINC000202125124 II Annotated Anodyne COc1ccccc1CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]12 ZINC000202240084 II Annotated Anodyne COc1ccccc1CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]12 ZINC000202240112 II Annotated Anodyne CCCCc1nnc([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C ZINC000202521278 II Annotated Anodyne CCCCc1nnc([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C ZINC000202521299 II Annotated Anodyne C=CC/C=C\C=C/[C@H]1O[C@H]2C[C@H]3O[C@H]4CCCCO[C@]4(C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O ZINC000202776928 II Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464742 II Annotated Mild C=CCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466488 II Annotated Mild C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4cc(N5CCOCC5)ccc4CCN3C[C@@H]12 ZINC000203467186 II Annotated Anodyne C[C@@H]1OCN(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccc7c(c6)OCO7)c5c4CCN3C[C@@H]12 ZINC000203467362 II Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12 ZINC000203468956 II Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469243 II Annotated Mild CCOC(=O)Nc1ccc2c(c1)[C@]1(CC(=O)N(CC(C)C)[C@@H]1c1ccccc1)C(=O)N2C ZINC000203469940 II Annotated Anodyne CCOC(=O)Nc1ccc2c(c1)[C@]1(CC(=O)N(CC(C)C)[C@H]1c1ccccc1)C(=O)N2C ZINC000203469947 II Annotated Anodyne CCOC(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)N(CC(C)C)[C@@H]1c1ccccc1)C(=O)N2C ZINC000203469954 II Annotated Anodyne CCOC(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)N(CC(C)C)[C@H]1c1ccccc1)C(=O)N2C ZINC000203469959 II Annotated Anodyne CC(C)[C@@H](C#CC1CC1)N(Cc1ccc2c(c1)OCO2)/C(N)=N/C(=O)/C=C/c1ccccc1 ZINC000203471745 II Annotated Mild CC(C)[C@H](C#CC1CC1)N(Cc1ccc2c(c1)OCO2)/C(N)=N/C(=O)/C=C/c1ccccc1 ZINC000203471748 II Annotated Mild CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000203472344 II Annotated Anodyne CCCCNC(=O)[C@]1(C(=O)c2ccc(OC)cc2)CC(c2ccccc2C(F)(F)F)=NO1 ZINC000203473928 II Annotated Anodyne CCCCNC(=O)[C@@]1(C(=O)c2ccc(OC)cc2)CC(c2ccccc2C(F)(F)F)=NO1 ZINC000203473932 II Annotated Anodyne COc1ccc(C(=O)[C@@]2(C(=O)Nc3cc(C)cc(C)c3)CC(c3ccccn3)=NO2)cc1 ZINC000203474154 II Annotated Anodyne COc1ccc(C(=O)[C@]2(C(=O)Nc3cc(C)cc(C)c3)CC(c3ccccn3)=NO2)cc1 ZINC000203474159 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/SC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000204978908 II Annotated Anodyne CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581127 II Annotated Anodyne O=S(=O)(NCCSCc1ccco1)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581170 II Annotated Anodyne Cc1ccc(NC(=O)Cc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(C)c1 ZINC000020673118 II Annotated Anodyne CCN(c1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)cc1)S(C)(=O)=O ZINC000020673129 II Annotated Anodyne CCOc1ccc2nc(CN3CCN(Cc4ccccc4OCC)[C@@H](CCO)C3)ccc2c1 ZINC000020775998 II Annotated Anodyne CCOc1ccccc1NC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12 ZINC000020804660 II Annotated Anodyne CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(O)cc3)Sc3ccccc3N2)C1=O ZINC000020899134 II Annotated Anodyne CCCCN1C(=O)NC(=O)/C(=C2\C[C@@H](c3ccc(O)cc3)Sc3ccccc3N2)C1=O ZINC000020899136 II Annotated Anodyne CN(Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12)C[C@@H]1Cc2ccccc2O1 ZINC000020907753 II Annotated Anodyne CN(Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12)C[C@H]1Cc2ccccc2O1 ZINC000020907756 II Annotated Anodyne CSc1ncccc1C(=O)NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020997065 II Annotated Anodyne CSc1ncccc1C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000020997067 II Annotated Anodyne CC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1)[C@H](O)C(F)(F)F ZINC000205072278 II Annotated Mild CC(C)(c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1)[C@H](O)C(F)(F)F ZINC000205072298 II Annotated Mild COC(=O)CCCC(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc21 ZINC000205098048 II Annotated Mild C[C@H](Nc1ncc(F)c(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000205159082 II Annotated Anodyne O=C(Nc1cccc(Cl)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205209501 II Annotated Anodyne Cc1ccccc1CN1C(=O)COCc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc21 ZINC000205210686 II Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)C[C@H]12 ZINC000205210722 II Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)C[C@H]12 ZINC000205210735 II Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)C[C@@H]12 ZINC000205210748 II Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)C[C@@H]12 ZINC000205210758 II Annotated Anodyne O=C(Nc1cccc(Cl)c1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205212398 II Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205218877 II Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205218894 II Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000205218907 II Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205218923 II Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205219550 II Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205219879 II Annotated Anodyne COc1ccccc1-c1ccc2c(c1)COCC(=O)N2Cc1ccc(C(=O)N(C)C)cc1 ZINC000205226484 II Annotated Anodyne Cc1ccc(CN2C(=O)COCc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc32)cc1 ZINC000205227695 II Annotated Anodyne COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccc(SC)cc3)c2)cc1OC ZINC000205228442 II Annotated Anodyne CC(C)(C(=O)NCc1cccc(C(F)(F)F)c1)n1cc(-c2ccc3c(c2)OCCO3)cn1 ZINC000205228478 II Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)COC3)cc1 ZINC000205232609 II Annotated Anodyne C=C1[C@@H](OC(C)=O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H]([C@@H]1O)[C@H]1C(=C)CC[C@H](C(C)C)[C@H]12 ZINC000205669062 II Annotated Mild C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 ZINC000205671028 II Annotated Mild O=C1CCC[C@H]2C[C@H](NCc3cccc(I)c3)CC[C@]23CCCN13 ZINC000205705832 II Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713693 II Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000205728098 II Annotated Anodyne COc1cc(O)c(C2=C3C(=CC(=O)c4cc(C)c(O)cc43)C(C)(C)C2=O)c(OC)c1OC ZINC000205753487 II Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@@H](C)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000205778761 II Annotated Mild in-vitro CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)/C(C)=C/CC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000205778786 II Annotated Mild in-vitro CCc1[nH]c(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)OC(C)(C)C=C3)c(O)c1C ZINC000205793482 II Annotated Anodyne C=C(C)[C@@H]1Cc2c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c(O)c(C(=O)[C@@H](C)CC)c2O1 ZINC000205793529 II Annotated Mild Cc1cccc(C)c1-n1nnnc1[C@@](C)(CCCCC(=O)O)NCc1ccc(F)cc1 ZINC000205857432 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@](C)(CCCCC(=O)O)NCc1ccc(F)cc1 ZINC000205857447 II Annotated Anodyne CCOC(=O)[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)C ZINC000205858612 II Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)C ZINC000205858628 II Annotated Anodyne CCCCNC(=O)[C@@H](C(C)=O)N(Cc1ccco1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000205861164 II Annotated Anodyne CCCCNC(=O)[C@H](C(C)=O)N(Cc1ccco1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000205861180 II Annotated Anodyne CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C/C(C)(C)OO)C1 ZINC000205957708 II Annotated Reactive COc1ccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000206016610 II Annotated Anodyne COc1ccc(NC(=O)C(C)(C)n2cc(NC(=O)c3ccc4ccccc4n3)cn2)cc1 ZINC000206019386 II Annotated Anodyne COC(=O)[C@]1(C#N)CC(=O)N([C@H](c2ccccc2)[C@@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000206021406 II Annotated Mild COC(=O)[C@]1(C#N)CC(=O)N([C@H](c2ccccc2)[C@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000206021427 II Annotated Mild CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2ccccc21 ZINC000206032270 II Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2ccccc21 ZINC000206032284 II Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccco4)Nc4ccc(F)cc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035811 II Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccco4)Nc4ccc(F)cc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035839 II Annotated Anodyne O=C(NCc1cccnc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039282 II Annotated Anodyne O=C(C#Cc1ccccc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206040121 II Annotated Mild CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041616 II Annotated Anodyne CCCCc1ccc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 ZINC000206042390 II Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042504 II Annotated Anodyne O=C(NCc1ccco1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206043805 II Annotated Anodyne O=C(NCc1ccco1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206043831 II Annotated Anodyne COc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000206052993 II Annotated Clean COc1ccc(Cn2cnc3cnc(-c4cc(OC)c(OC)c(OC)c4)cc32)cc1OC ZINC000206055138 II Annotated Anodyne COc1ccccc1-c1cnn(C(C)(C)C(=O)NCc2ccccc2Br)c1 ZINC000206056497 II Annotated Anodyne O=C(c1cnccn1)N(CCO)[C@@H](c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000206063007 II Annotated Anodyne O=C(c1cnccn1)N(CCO)[C@H](c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000206063026 II Annotated Anodyne COc1ncc(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000206096991 II Annotated Anodyne N#CCOc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000206110666 II Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3cccnc3)cccc2c1 ZINC000206149409 II Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3cccnc3)cccc2c1 ZINC000206149445 II Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3ccncc3)cccc2c1 ZINC000206149494 II Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3ccncc3)cccc2c1 ZINC000206149522 II Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c([C@H]3CCCN3c3ccccn3)cccc2c1 ZINC000206154615 II Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c([C@@H]3CCCN3c3ccccn3)cccc2c1 ZINC000206154646 II Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c([C@@H]3CCCN3C3CCOCC3)cccc2c1 ZINC000206159688 II Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c([C@H]3CCCN3C3CCOCC3)cccc2c1 ZINC000206159718 II Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@H](OC)[C@@H](C)[C@H]3C)cc(OC)c(OC)c2OC)cc(OC)c1O ZINC000206403622 II Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@H](OC)[C@@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000206403693 II Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@@H](OC)[C@@H](C)[C@@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000206403749 II Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(CCCOC(=O)CC(C)C)cc3[C@H]2CO)ccc1O ZINC000206608898 II Annotated Anodyne Cc1ccc(NC(=O)Cc2noc(C[C@@H]3CCCN3C(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000206781267 II Annotated Anodyne Cc1ccc(NC(=O)Cc2noc(C[C@H]3CCCN3C(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000206781304 II Annotated Anodyne CC(C)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 ZINC000206917480 II Annotated Anodyne Cc1ccccc1Nc1ccc(=O)n(Cc2cccc(NC(=O)OCCCCN(C)C)c2)n1 ZINC000206930727 II Annotated Anodyne Cc1cccc(Nc2ccc(=O)n(Cc3cccc(NC(=O)OCCCCN(C)C)c3)n2)c1 ZINC000206930791 II Annotated Anodyne O=C1C[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000206955314 II Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000206980432 II Annotated Anodyne CC(=O)O/C=C1\CCC/C(C=O)=C\C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000207007120 II Annotated Reactive COc1ccc(C(=O)N(C)c2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)c(OC)c1 ZINC000207482592 II Annotated Anodyne CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1cnc2ccccc2c1 ZINC000207739734 II Annotated Anodyne COC(=O)C[C@@]12CCCN3CC[C@@]4(c5ccccc5N(C(=O)c5ccccc5)[C@H]4CC1)[C@@H]32 ZINC000208242642 II Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)O)c2cccnc21)C(=O)C1CC1 ZINC000208541091 II Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2cccnc12)C(=O)C1CC1 ZINC000208541599 II Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(C)=O ZINC000208737598 II Annotated Anodyne CN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCCN(C(=O)CC3CCCC3)C2)N=C1N ZINC000209332812 II Annotated Anodyne CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCN(C(=O)CC3CCCC3)C2)N=C1N ZINC000209332852 II Annotated Anodyne O[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Br)cc1 ZINC000209573842 II Annotated Anodyne O[C@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Br)cc1 ZINC000209573874 II Annotated Anodyne CCc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000021262850 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(F)c2)[C@]12C(=O)Nc1ccccc12 ZINC000210102447 II Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000210102476 II Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000210102508 II Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(=O)C=C(C)C ZINC000210836550 II Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000211060434 II Annotated Anodyne O=C1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000211061459 II Annotated Anodyne CC(=O)OCC(=O)[C@]1(C)CC[C@H]2[C@@H]1c1cc(C)c(Br)c(O)c1C(=O)C2(C)C ZINC000211316636 II Annotated Anodyne CCOC(=O)[C@]1(O)C(=O)c2c(cc(C)c(Br)c2O)[C@H]2[C@@H](C(C)C)CC[C@]21C ZINC000211343716 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(C)c2)[C@]12C(=O)Nc1ccccc12 ZINC000212698729 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000213975060 II Annotated Anodyne O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC[C@H](c2ccccn2)NC1=O ZINC000214234105 II Annotated Anodyne O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1CC[C@H](c2ccccn2)NC1=O ZINC000214234216 II Annotated Anodyne CC(C)[C@H]1c2cc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 ZINC000214529267 II Annotated Anodyne COc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215502932 II Annotated Anodyne COc1cc(Cl)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215503495 II Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CC[C@@H](c4ccccc4)C3)nccc2c1 ZINC000215505342 II Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CC[C@H](c4ccccc4)C3)nccc2c1 ZINC000215505395 II Annotated Anodyne COc1cc(Cl)ccc1-c1nncc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215506116 II Annotated Anodyne COc1ccc(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215512569 II Annotated Anodyne COc1ccc(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215512849 II Annotated Anodyne COc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215514193 II Annotated Anodyne CC(C)(O)c1ccccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215515901 II Annotated Anodyne N#CCOc1ccccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215516754 II Annotated Mild COc1cc(F)ccc1-c1ncc(C#N)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215516964 II Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000215560313 II Annotated Anodyne COC(C)(C)/C=C/C[C@]1(C)CC=C(CO)C(=O)[C@@H](CC(C)=O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000215996040 II Annotated Mild CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC3(CCCCC3)CC2)cc1F ZINC000216201343 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216202907 II Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F ZINC000216239409 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F ZINC000216244436 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000216264078 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000216264128 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3(F)F)cc1F ZINC000216264179 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000216264219 II Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cncc(C)c4)ccc3C)cnc2[nH]1 ZINC000217123199 II Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccnc(C)c4)ccc3C)cnc2[nH]1 ZINC000217125785 II Annotated Anodyne O=C(NCC1(c2cnc(C(F)(F)F)nc2)CCOCC1)c1cccc(Cl)c1Cl ZINC000217370350 II Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1cccc(F)c1Cl ZINC000217376537 II Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1cccc(F)c1Cl ZINC000217376603 II Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1c(F)cccc1Cl ZINC000217376713 II Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1c(F)cccc1Cl ZINC000217376797 II Annotated Anodyne NC1=N[C@](CF)(c2cc(Nc3nccc4cc(Cl)cnc34)cc(F)c2F)[C@H]2C[C@H]2O1 ZINC000217609280 II Annotated Anodyne O[C@@H]1Cc2c(F)cc(F)cc2[C@H]1n1nc(-c2ccc(F)cc2)c2c1CCN(CC1CC1)C2 ZINC000217901258 II Annotated Anodyne N[C@@H](CC(=O)N1CCNc2cc(C(F)(F)F)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000218112308 II Annotated Anodyne COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3c(c12)C[C@@H](C(=O)NC1CC1)CC3 ZINC000218341024 II Annotated Anodyne COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3c(c12)C[C@H](C(=O)NC1CC1)CC3 ZINC000218341104 II Annotated Anodyne C/C(=N\O)c1ccc2nnc(Sc3ccc4ncc(NC5CCOCC5)cc4c3)n2c1 ZINC000218860720 II Annotated Mild CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218971132 II Annotated Anodyne CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CC[C@]3(C)c4cccc(O)c4C[C@@H]1C3(C)C)C2 ZINC000218972133 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218974090 II Annotated Anodyne NC(=O)NCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 ZINC000218992440 II Annotated Anodyne COC1CCN(c2nccc(Nc3cc4c(cn3)cc(-c3cn[nH]c3)n4C(C)C)n2)CC1 ZINC000219082921 II Annotated Anodyne in-vitro CC1(C)Cc2c(C#N)c(SCCc3cccc(F)c3)nc(N3CCOCC3)c2CO1 ZINC000219269935 II Annotated Mild CSCC[C@@H](C(=O)O)N1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O ZINC000219282137 II Annotated Anodyne CSCC[C@H](C(=O)O)N1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O ZINC000219282171 II Annotated Anodyne CC1(C)Cc2c(C#N)c(SCCc3c[nH]c4ccccc34)nc(N3CCOCC3)c2CO1 ZINC000219344619 II Annotated Mild Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cn2)n1 ZINC000219359346 II Annotated Anodyne C[C@H]1CN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219411569 II Annotated Mild C[C@H]1CN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000219411647 II Annotated Mild C[C@@H]1CN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219411738 II Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3ccccc3F)nc(N3CCOCC3)c2CO1 ZINC000219428101 II Annotated Mild CN1CCCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219503497 II Annotated Mild CCN(c1cc(Cl)cc(C(=O)N[C@@H](C)c2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000219537129 II Annotated Anodyne CCN(c1cc(Cl)cc(C(=O)N[C@H](C)c2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000219537210 II Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N[C@@H]6CCOC6)cc5c4)n3c2)cn1 ZINC000219866639 II Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N[C@H]6CCOC6)cc5c4)n3c2)cn1 ZINC000219866684 II Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219952795 II Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219954038 II Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958710 II Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960720 II Annotated Anodyne in-vitro COC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000022079869 II Annotated Anodyne COC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000022079872 II Annotated Anodyne CC[C@@H]1N[C@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000022198764 II Annotated Clean CC[C@H]1N[C@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000022198769 II Annotated Clean Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21 ZINC000022445761 II Annotated Anodyne Fc1ccc(-c2n[nH]cc2-c2ccc(NCCN3CCNCC3)c(C(F)(F)F)c2)cc1 ZINC000022450023 II Annotated Anodyne in-vitro C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(C)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022450934 II Annotated Mild CCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 ZINC000220129819 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000220138874 II Annotated Anodyne O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3ccc(Cl)cc3)ccc1-2 ZINC000220178524 II Annotated Anodyne O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ccc(Cl)cc3)ccc1-2 ZINC000220178599 II Annotated Anodyne NC(=O)[C@H]1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220267793 II Annotated Anodyne NC(=O)[C@@H]1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220267870 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220282017 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1cccc(C(F)(F)F)c1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220282094 II Annotated Anodyne NC(=O)[C@H]1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287034 II Annotated Anodyne NC(=O)[C@@H]1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287098 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220300927 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220301009 II Annotated Anodyne C[C@H]1c2cccc(CC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl ZINC000220344705 II Annotated Anodyne CC(=O)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220345908 II Annotated Anodyne Cc1c2c(nn1C1CC1)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220360161 II Annotated Anodyne CNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000220365871 II Annotated Anodyne Cc1c2c(nn1C1CC1)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220381128 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000220381281 II Annotated Anodyne NC1=N[C@@](c2cc(Nc3nccc4cc(Cl)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220654068 II Annotated Anodyne O=C(c1cccc(F)c1-c1ncco1)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000221038977 II Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1 ZINC000221044157 II Annotated Anodyne O=C(c1cccc(F)c1-c1ncco1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221053262 II Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1 ZINC000221054350 II Annotated Anodyne CC(=O)Oc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 ZINC000221103548 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3ccccc3Cl)no2)n1 ZINC000221131568 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(-c3ccccc3Cl)no2)n1 ZINC000221131631 II Annotated Anodyne Cc1cc(-c2nc3cnc(C4CCOCC4)cc3n2[C@@H](C)c2ccccc2)nn(C)c1=O ZINC000221135257 II Annotated Anodyne CS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 ZINC000221156651 II Annotated Anodyne Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1F ZINC000221196387 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(-c3cnn(C)c3)cc2F)ncc1F ZINC000221305163 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(O[C@@H]3CCCOC3)c2)n1 ZINC000221308375 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(O[C@H]3CCCOC3)c2)n1 ZINC000221308423 II Annotated Anodyne COC(=O)Nc1nc2ccc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)cc2[nH]1 ZINC000221333125 II Annotated Anodyne in-vitro O=C(N/N=C/c1ccc2c(c1)OC(F)(F)O2)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000221337960 II Annotated Reactive COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2ncccc2c1 ZINC000221588622 II Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2ncccc2c1 ZINC000221588687 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(C)c2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605096 II Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@@H](Br)C34OCCO4)[C@@H](O)[C@H]12 ZINC000221740335 II Annotated Reactive CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4ccccc34)c2)c2cncnc21 ZINC000221754196 II Annotated Anodyne Cc1cnc2[nH]cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1 ZINC000221757224 II Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C5CCNCC5)n4)cc32)c(C)c1C(=O)O ZINC000221763742 II Annotated Anodyne CC(C)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1)[C@@H](O)C(F)(F)F ZINC000221848781 II Annotated Mild CC(C)(c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1)[C@@H](O)C(F)(F)F ZINC000221849004 II Annotated Mild C[C@H](N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221857008 II Annotated Mild CC(C)(N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221858646 II Annotated Mild CC(C)(N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221858708 II Annotated Mild CC(C)(N[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221858774 II Annotated Mild CC(C)(N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221858833 II Annotated Mild CC(C)CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@H](C#N)C1 ZINC000221860531 II Annotated Mild CN([C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C(C)(C)C ZINC000221863912 II Annotated Mild CC1(C)C[N+](C)([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221864397 II Annotated Mild C[C@H](N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221866055 II Annotated Mild COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2c1 ZINC000221875728 II Annotated Anodyne C[C@H](N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221885845 II Annotated Mild N#C[C@H]1C[C@H](NC2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221889815 II Annotated Mild Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000222058776 II Annotated Anodyne C[C@@H]1CN(C(=O)c2cc3cc(Br)ncc3n2C)Cc2ccc(CN(C)C)cc21 ZINC000222177831 II Annotated Anodyne C[C@H]1CN(C(=O)c2cc3cc(Br)ncc3n2C)Cc2ccc(CN(C)C)cc21 ZINC000222177881 II Annotated Anodyne C[C@H](Nc1nc(F)cc(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000222609763 II Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000222621392 II Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(C)(=O)=O)[nH]c3ccccc23)cc(C)c1Cl ZINC000222702381 II Annotated Anodyne N/C(=N\c1cccc(O[C@H]2CN[C@H](COCc3cccc(F)c3)C2)c1)c1cccs1 ZINC000222958032 II Annotated Mild C[C@H](N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000222974534 II Annotated Mild CC(C)(C)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222979637 II Annotated Mild CC(C)(C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222979696 II Annotated Mild N#C[C@@H]1C[C@@H](NC2CCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000222981555 II Annotated Mild CC1(C)C[N+](C)([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222981680 II Annotated Mild F[C@H]1CCN(CCOCC2[C@H]3CN(c4ncnc5scc(-c6ccccc6)c45)C[C@H]23)C1 ZINC000223004341 II Annotated Anodyne F[C@@H]1CCN(CCOCC2[C@H]3CN(c4ncnc5scc(-c6ccccc6)c45)C[C@H]23)C1 ZINC000223005692 II Annotated Anodyne F[C@H]1CCN(CCO[C@H]2C[C@H]3C[C@H]2CN3c2ncnc3scc(-c4ccccc4)c23)C1 ZINC000223006857 II Annotated Anodyne N/C(=N\c1cccc(OC[C@@H]2C[C@@H](OCc3cccc(F)c3)CN2)c1)c1cccs1 ZINC000223075702 II Annotated Mild C[C@@H](F)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223658214 II Annotated Mild N[C@@H](CNc1nc(-c2ccncc2)nc2c(-c3ccn[nH]3)csc12)Cc1ccccc1 ZINC000223662935 II Annotated Anodyne CN1CC[C@@H](Nc2nc(-c3ccnc(NC(=O)c4cccs4)c3)nc3ccsc23)C1 ZINC000223663888 II Annotated Anodyne c1cncc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)c1 ZINC000223666987 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cn[nH]c3)csc12)Cc1ccccc1 ZINC000223669948 II Annotated Anodyne COC/C=C/c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223670279 II Annotated Anodyne Cn1ccc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)n1 ZINC000223670784 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccn[nH]3)csc12)Cc1ccccc1 ZINC000223671120 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(O)cc1 ZINC000223673768 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1O ZINC000223679297 II Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccn[nH]1 ZINC000223680859 II Annotated Anodyne CC(C)Oc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1 ZINC000223681005 II Annotated Anodyne Cn1nccc1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223682811 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccn[nH]3)csc12)Cc1ccccc1 ZINC000223682943 II Annotated Anodyne Cn1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)cn1 ZINC000223683027 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc(O)c1 ZINC000223688702 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3CC3)csc12)Cc1ccccc1 ZINC000223689223 II Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCCF)csc12)Cc1ccccc1 ZINC000223689554 II Annotated Mild c1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)nc1 ZINC000223690925 II Annotated Anodyne c1cc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)ccn1 ZINC000223690999 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccon3)csc12)Cc1ccccc1 ZINC000223693958 II Annotated Anodyne Cc1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)n[nH]1 ZINC000223695291 II Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccon3)csc12)Cc1ccccc1 ZINC000223695837 II Annotated Anodyne COc1cc(CNc2ccc3ncc(-c4ccc(N(C)C)cc4)n3n2)cc(OC)c1OC ZINC000223806124 II Annotated Anodyne CCc1nc(-n2nc(Cc3ccccc3F)c3cc(F)ccc32)nc2c1C(C)(C)C(=O)N2 ZINC000223808106 II Annotated Anodyne CC(C)(C)OC(=O)N1CC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1 ZINC000224558379 II Annotated Anodyne CS(=O)(=O)c1cc(C#N)ccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224573042 II Annotated Mild CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1 ZINC000224695508 II Annotated Anodyne COc1ccc(-c2nc([C@@H](C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCF ZINC000224698375 II Annotated Anodyne in-vitro COc1ccc(-c2nc([C@H](C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCF ZINC000224698418 II Annotated Anodyne in-vitro Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCC(N)CC3)cc2F)cn1 ZINC000224746542 II Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1 ZINC000224747283 II Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1)C(F)(F)F ZINC000224748171 II Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1)C(F)(F)F ZINC000224748215 II Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3c(N)cccc3n2)c(F)c1 ZINC000224829655 II Annotated Anodyne CN(CCc1cc(Cl)c(Cl)cc1I)CCN1CCCC1 ZINC000022924996 II Annotated Anodyne Cc1cccc(-n2cc(CN3CCN(Cc4nccn4C)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000022932996 II Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(C)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938799 II Annotated Mild COc1cc(Cl)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225077006 II Annotated Anodyne COc1cc(F)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225102398 II Annotated Anodyne COc1cc(F)ccc1-c1ncc(O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225111593 II Annotated Anodyne COc1cc(C#N)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225114326 II Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3ccccc3)nccc2c1 ZINC000225114700 II Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3ccccc3)nccc2c1 ZINC000225114735 II Annotated Anodyne COc1nc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225116126 II Annotated Anodyne COc1cccc(Cc2noc(-c3ccc(Br)cc3OC3CCNCC3)n2)c1 ZINC000225197362 II Annotated Anodyne CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225220395 II Annotated Anodyne C[C@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000225226689 II Annotated Anodyne C[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000225226722 II Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F ZINC000225249658 II Annotated Anodyne CCCC[C@H](Br)[C@H](O)C(Br)(Br)Br ZINC000225750716 II Annotated Reactive C[C@@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1Cl ZINC000225937712 II Annotated Anodyne C[C@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1Cl ZINC000225937730 II Annotated Anodyne CCc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(Cl)c(F)c1Cl)C2 ZINC000225966027 II Annotated Anodyne CCc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(F)c1Cl)C2 ZINC000225966037 II Annotated Anodyne COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(Br)cn1)C2 ZINC000226037632 II Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NCC5CCNCC5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226047703 II Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(Br)cn1)C2 ZINC000226047832 II Annotated Anodyne CC(=O)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000226051963 II Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cnc4ccccc4n2)C3)n1 ZINC000226058551 II Annotated Anodyne CC(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000226063602 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H]4CN(C(=O)C5CC(O)C5)C[C@@H]4C3)cc12 ZINC000226063634 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(C(=O)C5CC(O)C5)C[C@@H]4C3)cc12 ZINC000226063646 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H]4CN(C(=O)C5CC(O)C5)C[C@H]4C3)cc12 ZINC000226063653 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(C(=O)C5CC(O)C5)C[C@H]4C3)cc12 ZINC000226063661 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)C(C)(C)C3)cc12 ZINC000226063987 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC(C)(C)N(S(C)(=O)=O)CC3)cc12 ZINC000226066134 II Annotated Anodyne FC1(F)CN[C@H](CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)C1 ZINC000226069542 II Annotated Anodyne Cc1ccc(-c2ncccc2C)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226078985 II Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(C(F)(F)F)cn1)C2 ZINC000226083315 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C)c4)CC3)cc12 ZINC000226086344 II Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(C)(=O)=O)C(C)(C)C3)cc12 ZINC000226093323 II Annotated Anodyne CCN(CCn1cccn1)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 ZINC000023144549 II Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000230079383 II Annotated Mild in-man C=C1COC(=O)[C@@]12C[C@@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000230079389 II Annotated Mild in-man C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000230079394 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2[C@H]([C@@H](C)O)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000230102281 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1[C@@H](OC(=O)[C@@H](C)CC)C(=O)[C@H]2[C@@H](C)O ZINC000230102287 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H](OC(=O)[C@@H](C)CC)C(=O)[C@H]2[C@@H](C)O ZINC000230102293 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1[C@H](OC(=O)[C@@H](C)CC)C(=O)[C@H]2[C@@H](C)O ZINC000230102299 II Annotated Mild in-man O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3ccccc3o2)CC1 ZINC000230562342 II Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](OC(C)=O)C[C@H]1[C@@H]3[C@@H](OC(C)=O)CC[C@@]3(C)CC[C@@H]12 ZINC000238731217 II Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)C[C@@H]3CCC[C@H](C[C@H](O)CC2)N31 ZINC000238731400 II Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=CC(=O)[C@@H]1C/C=C/[C@H](CCC(=O)OC)OC(C)=O ZINC000238731709 II Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C=C/[C@@H](CC)OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O ZINC000238733167 II Annotated Mild C=C(CCC[C@H](C)OC(C)=O)[C@@H]1[C@H](OC(C)=O)OC=C2[C@H]1CC(=O)O[C@@H]2CC=C(C)C ZINC000238733957 II Annotated Mild CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)C[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O ZINC000238734360 II Annotated Anodyne C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H](Cl)[C@@H](OC(C)=O)[C@H](CBr)[C@H](CC)O1 ZINC000238734803 II Annotated Reactive COc1c(O)ccc(C[C@H]2CO[C@@H](OC)[C@@H]2c2cc(O)cc(O)c2)c1-c1ccc(O)cc1 ZINC000238735088 II Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000238735126 II Annotated Mild CC1(C)[C@H](O)c2cc3c(nc2[C@]2(C)OC(=O)C[C@H]12)CC[C@]1(C)C3=CC(=O)O[C@H]1c1ccoc1 ZINC000238735532 II Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](O)CC2)N31 ZINC000238735572 II Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@@H](C)OC(=O)CC(C)C)(C1)[C@@H]23 ZINC000238735714 II Annotated Anodyne C=C(/C=C/C)[C@@H](O)C1=CC(=O)C2=C(O[C@@]34CC[C@H](O)C(C)(C)[C@@H]3CC[C@H](C)[C@@]4(C)C2)C1=O ZINC000238736037 II Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@]2(C)[C@@H]1[C@](O)(C(C)C)C[C@H]2OC(=O)/C(C)=C\C ZINC000238736118 II Annotated Mild C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@@H](C)C(Cl)Cl)C(Cl)(Cl)Cl ZINC000238736164 II Annotated Reactive CS/C=C/C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)C=C(C)C ZINC000238736675 II Annotated Anodyne CC/C(C)=C/C(=O)O[C@H]1C=C2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 ZINC000238737030 II Annotated Anodyne CC(=O)NCCCCN1CCCNCCCCCCCC(=O)CCCCCCCC1=O ZINC000238737358 II Annotated Anodyne C=C(C)[C@@H](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)OO ZINC000238738234 II Annotated Reactive C/C=C(/C)C(=O)Oc1cc(COC(=O)[C@H](C)CC)ccc1[C@]1(COC(=O)C(C)C)CO1 ZINC000238738679 II Annotated Anodyne CS/C=C/C(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238738813 II Annotated Anodyne C=C(C)[C@H]1Cc2c(O)c(C(=O)[C@H](C)CC)c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c2O1 ZINC000238738868 II Annotated Mild C=C([C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)C=C(C)C)[C@@H](CC=C(C)C)OC(=O)C=C(C)C ZINC000238739571 II Annotated Mild CC1=C(C(=O)[C@H](O)C(C)C)O[C@@H](c2c(O)c3c(C)cccc3oc2=O)[C@@H]2[C@@H](C)CC[C@H]12 ZINC000238739657 II Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)C(C)C)[C@@H](OC(=O)C=C(C)C)C1 ZINC000238739679 II Annotated Mild C/C=C(/C)C(=O)OC/C=C(/C)C(=O)O[C@@H]1CC[C@H]2[C@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238740355 II Annotated Mild CC(C)CCC[C@H](OC(=O)c1ccccc1)[C@H]1C(=O)CO[C@H]1COC(=O)c1ccccc1 ZINC000238741219 II Annotated Anodyne CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@H]1C[C@H](C)CN[C@@H]1[C@H]2C ZINC000238741316 II Annotated Mild C[C@@H](CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]12C)CC(=O)O ZINC000238742305 II Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000238742535 II Annotated Mild CC(=O)NCCCCN1CCCNCCCCCCC(=O)CCCCCCCCC1=O ZINC000238742885 II Annotated Anodyne CCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(C)O[C@H]4[C@@H]12)C3(C)C ZINC000238743017 II Annotated Mild CC/C=C/C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)C=C(C)C ZINC000238743267 II Annotated Anodyne CC1(C)O[C@]23CC[C@]4(C)[C@](O)(CC[C@@H]5Cc6c([nH]c7ccccc67)[C@]54C)C2=CC(=O)[C@H]1O3 ZINC000238743591 II Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@H]4COC(=O)C4)[C@]3(C)CC[C@H]21 ZINC000238743803 II Annotated Anodyne CC(C)=CCC1=C(OC(=O)C(C)C)C(=O)C2=C(C1=O)[C@@H]1C[C@](C)(CC[C@@H]1C(C)(C)O)O2 ZINC000238743842 II Annotated Mild C=C[C@](C)(O)/C=C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/C)C(C)(C)O ZINC000238744162 II Annotated Mild CC(=O)Oc1ccc2c(c1)oc1c3cc(C[C@H]4OC4(C)C)c(OC(C)=O)cc3oc(=O)c21 ZINC000238744567 II Annotated Bother C/C=C(/C)C(=O)OC/C(C)=C\C(=O)O[C@@H]1CC[C@H]2[C@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238744937 II Annotated Mild COc1cc(C(=O)O[C@H]2[C@H](C(C)C)[C@H](O)C/C(C)=C/CC[C@@]3(C)O[C@H]23)cc(OC)c1OC ZINC000238745140 II Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)CCC)[C@@H](OC(=O)C=C(C)C)C1 ZINC000238745266 II Annotated Mild CCCc1cc(OC)cc(OC)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O ZINC000238745358 II Annotated Anodyne CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000238745574 II Annotated Mild C[C@]12CC[C@@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1C[C@@]1(CC(=O)C=CC1=O)O2 ZINC000238746271 II Annotated Mild COC1=CC(=O)O[C@]2(c3ccccc3)[C@H]1[C@H](c1ccccc1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000238746323 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C(=O)O ZINC000238746625 II Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)CCC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 ZINC000238747150 II Annotated Anodyne C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C=C\C[C@@H](C)OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)[C@H]1O ZINC000238747365 II Annotated Mild C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)CC[C@@H](C)C[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238747605 II Annotated Mild CCc1oc(=O)c(Cc2c(O)c(C(=O)C(C)C)c(O)c3c2OC(C)(C)C=C3)c(O)c1C ZINC000238747838 II Annotated Anodyne C=C[C@](C)(O)/C=C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)/C(C)=C\C)C(C)(C)O ZINC000238747951 II Annotated Mild CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@@H](Br)[C@@](C)(Cl)C[C@@H]3O2 ZINC000238748304 II Annotated Reactive CC1(C)[C@@H](Br)C[C@H]2O[C@@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O ZINC000238749093 II Annotated Reactive CC(C)=CCc1cc(C[C@@H](O)C(=O)c2ccc(O)c(CC=C(C)C)c2O)cc(O)c1O ZINC000238749485 II Annotated Clean CC(=O)O[C@H]1C[C@H]2[C@](C)(CC[C@H](OC(C)=O)[C@@]2(C)OC(C)=O)c2cc(O)c(C(C)C)cc21 ZINC000238749567 II Annotated Anodyne O=C1OC2=C(c3ccccc3)C(=O)C3=C(C2=C1c1ccc(O)cc1)c1ccc(O)cc1CO3 ZINC000238749636 II Annotated Mild CC1(C)[C@@]2(Br)C=C[C@](C)(O)[C@@]13C[C@@H](Br)[C@](C)(Cl)C[C@H]3O2 ZINC000238749974 II Annotated Reactive CC(=O)C[C@H]1OC(=O)C2=C1[C@@H](/C=C/OC(=O)C=C(C)C)[C@]1(C)CC[C@@H](C(C)(C)O)[C@H]2C1 ZINC000238750296 II Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)[C@@H]2C[C@H](c3ccoc3)OC(=O)[C@]23O[C@H]3CCC(C)(C)C1=O ZINC000238750755 II Annotated Anodyne CC1(C)[C@H](Br)CC[C@@](C)(O)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O ZINC000238751611 II Annotated Reactive C=C[C@@]1(C)CC[C@H](/C=C/C=C/C(C)(C)O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)C[C@@H]1C(=C)C ZINC000238751697 II Annotated Mild C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C(=O)[C@H]2[C@H](C)O ZINC000238751975 II Annotated Mild C/C=C(\C)C[C@H](C)C[C@H](C)[C@@H]1OC(=O)CC[C@H]1OC(=O)/C=C/C(C)=C/[C@H](CO)CCO ZINC000238752796 II Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000238752815 II Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C=C/C[C@@H](C)OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O ZINC000238752826 II Annotated Mild CO[C@@]12C[C@@H]3CC[C@@H]([C@H](C)c4ccc5c(c41)C[C@H]1[C@H]5CC(=O)[C@H]4C[C@@H](O)CC[C@@]41C)N2C3 ZINC000238752990 II Annotated Anodyne CC1=C[C@H]2/C=C/C[C@@H](C)[C@H](O)[C@H](C)/C=C/C(=O)[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000238753087 II Annotated Mild C=C1C[C@@H](OC(C)=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000238753203 II Annotated Mild COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(OC)c4)c4c(O)cc(O)cc4[C@H]23)ccc1O ZINC000238753407 II Annotated Anodyne C[C@@H](CO)C1=C2[C@@H]3C[C@H](O)C(COC(=O)c4ccccc4)=C[C@@H](O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000238754160 II Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@@H](C)CCC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238754318 II Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238754604 II Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@H]4COC(=O)C4)[C@]3(C)CC[C@H]21 ZINC000238754992 II Annotated Anodyne CC1(C)C(Br)=C[C@@H]2O[C@]2(C)[C@@]12C[C@H](Br)[C@](C)(Cl)C[C@@H]2O ZINC000238755087 II Annotated Reactive CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]1[C@@H]1O[C@@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000238756239 II Annotated Mild CC(C)(O)CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)O2 ZINC000238756425 II Annotated Anodyne CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000238756599 II Annotated Mild COc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4C)OC[C@H]23)cc1OC ZINC000238756854 II Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C\[C@@H](CC)OC(=O)/C(C)=C\C)[C@@H]2C)[C@H](O)[C@@H]1O ZINC000238756977 II Annotated Mild CC1(C)C(=O)C[C@@H]2O[C@@H]3C[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@]4(C)OC(=O)C[C@H]1[C@@]2(C)[C@@H]34 ZINC000238757914 II Annotated Anodyne CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3cc4c(c(O)c3c(=O)c21)C[C@@H](C(C)(C)O)O4 ZINC000238758022 II Annotated Anodyne C=C(C)[C@@H](O)Cc1cc(O)c(OC)c2oc3c4c(cc(O)c3c(=O)c12)OC(C)(C)C4(C)C ZINC000238758097 II Annotated Mild C[C@]12CC[C@@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1C[C@]1(CC(=O)C=CC1=O)O2 ZINC000238758181 II Annotated Mild CC1(C)C(=O)C[C@@H]2O[C@@H]3C[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@]4(C)OC(=O)C[C@@H]1[C@@]2(C)[C@@H]34 ZINC000238759851 II Annotated Anodyne COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)O[C@@H](C(C)C)[C@@H]4OC)cc1OC ZINC000238761196 II Annotated Anodyne CO[C@H]1c2cc(C(C)C)c(OC(C)=O)c(OC(C)=O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O ZINC000238761356 II Annotated Anodyne CC(=O)OC[C@]1(CCO)CC[C@@]2(O1)[C@H](C)CC[C@H]1[C@]3(C)COC(C)(C)O[C@H]3CC[C@]12C ZINC000238761811 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C)C/C=C\C(=O)O[C@@H]1CC[C@@H]2[C@@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238762265 II Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C=C(C)C ZINC000238762424 II Annotated Anodyne C[C@@H](/C=C1\C(=O)N[C@H](C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000238762482 II Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@]1(OC(C)=O)[C@@H]2[C@]1(C)CCC2=C(CCCC2(C)C)[C@H]1C ZINC000238763205 II Annotated Anodyne CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000238763663 II Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)[C@@H](O)[C@@H](C)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238764089 II Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O)[C@](C)(O)[C@H]1O ZINC000238764186 II Annotated Anodyne COc1cc([C@@H]2Oc3c(cc4c(=O)c5ccccc5oc4c3OC)O[C@H]2OC)ccc1O ZINC000238764251 II Annotated Bother COc1ccc(C(=O)O[C@H]2CC(C)=C[C@@H](OC(C)=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000238764358 II Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=CC(=O)[C@H]1C/C=C/[C@H](CCC(=O)OC)OC(C)=O ZINC000238765187 II Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C=C\C[C@@H](C)OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O ZINC000238765612 II Annotated Mild COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@]3(C)[C@@H]2[C@](O)(C(C)C)C[C@H]3OC(C)=O)cc1 ZINC000238766104 II Annotated Anodyne C/C=C(/C)C(=O)Oc1cc(COC(=O)[C@H](C)CC)ccc1[C@]1(COC(=O)[C@H](C)CC)CO1 ZINC000238767505 II Annotated Anodyne CC/C=C/C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)/C=C/CC ZINC000238767687 II Annotated Anodyne C=C1C[C@H](OC(C)=O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000238767700 II Annotated Mild CC[C@](C)(O)C(=O)O[C@@H]1[C@H](O)C[C@@]2(C)[C@H](CC=C(C)[C@@H]2CC[C@H](C)CC(=O)O)C1(C)C ZINC000238767830 II Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C(C)C)[C@H](C(=O)O)[C@@]12C ZINC000238767855 II Annotated Anodyne CC[C@H](CO)[C@H](O)C[C@H](O)[C@H](C)CC[C@H](C)CCC[C@]1(C)[C@@H](CC)C(=O)C=C[C@@]1(C)O ZINC000238767883 II Annotated Mild CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O ZINC000238768130 II Annotated Reactive CC(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC[C@@H]2C1(C)C ZINC000238768261 II Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@@H](OC)[C@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000238770256 II Annotated Anodyne CC[C@@H](C)C(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000238770890 II Annotated Anodyne CC(=O)Oc1cc2c(c3c1C[C@@]1(O3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]31C)COC2=O ZINC000238771258 II Annotated Anodyne CC(C)=CCC/C(C)=C\CC[C@@]1(C)O[C@@]2(C[C@@H]1O)OC(=O)c1ccc(O)cc1OC2=O ZINC000238771591 II Annotated Anodyne CC#CC#C/C=C1\C=C[C@@]2(CC[C@@H](OC(=O)[C@](OC)(c3ccccc3)C(F)(F)F)CO2)O1 ZINC000238771768 II Annotated Mild CC#CC#C/C=C1\C=C[C@@]2(CC[C@@H](OC(=O)[C@@](OC)(c3ccccc3)C(F)(F)F)CO2)O1 ZINC000238771789 II Annotated Mild C=C[C@](C)(O)/C=C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)/C(C)=C/C)C(C)(C)O ZINC000238772100 II Annotated Mild C=C(C)[C@H](O)Cc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4O)coc13)C=CC(C)(C)O2 ZINC000238772161 II Annotated Mild C=C([C@H](CC=C(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 ZINC000238772424 II Annotated Mild COc1c(-c2coc3c4c(c(OC)c(OC)c3c2=O)OC(C)(C)C=C4)ccc2c1OCO2 ZINC000238772854 II Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c2O)c(O)c1C ZINC000238773070 II Annotated Anodyne COc1cc(/C=C\C(=O)O[C@@H]2[C@H]3CO[C@H](O)[C@H]3[C@]3(C)C(C)(C)CCC[C@]23C)ccc1O ZINC000238773499 II Annotated Anodyne CC[C@@H](C)[C@H]1[C@@H]2C=C3[C@H]([C@H](C)C[C@H](C)[C@H]3OC(=O)CCC(=O)OC)[C@@]1(C)/C(=C\C=O)O2 ZINC000238773553 II Annotated Reactive C[C@@H](CO)C1=C2[C@@H]3C[C@@H](O)C(COC(=O)c4ccccc4)=C[C@@H](O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000238773573 II Annotated Anodyne CC1(C)[C@H](Br)[C@H](O)C[C@@]2(CO2)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 ZINC000238773589 II Annotated Reactive COc1ccc2c(c1O)Oc1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 ZINC000238773849 II Annotated Anodyne CC1=C(C(=O)[C@H](O)C(C)C)O[C@H](c2c(O)c3c(C)cccc3oc2=O)[C@@H]2[C@@H](C)CC[C@H]12 ZINC000238774009 II Annotated Mild CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C\C(C)(C)OO)C1 ZINC000238774206 II Annotated Reactive C[C@@H](C(=O)O)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)CC4=C[C@]5(C)CC[C@]4(OO5)[C@@]3(C)O2)OO1 ZINC000238774511 II Annotated Reactive Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)[C@H](O)C(C)C)O[C@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C ZINC000238775155 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C[C@@H]2[C@@](C)(CC[C@H](C)CC(=O)O)[C@H](C)CC[C@@]2(C)[C@@]1(C)O ZINC000238775175 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](/C=C\C(=O)O[C@@H]1CC[C@@H]2[C@@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C)CC ZINC000238775209 II Annotated Mild C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO)N(C)C ZINC000238775729 II Annotated Anodyne C=C([C@H](CC=C(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 ZINC000238776094 II Annotated Mild C/C(O)=C/CC(=O)O[C@H]1C[C@@H](OC(=O)C/C=C(/C)O)C(C)(C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@]13C ZINC000238776513 II Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C ZINC000238776646 II Annotated Anodyne C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)/C=C/[C@@H](C)C[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238776820 II Annotated Mild CC1=C[C@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C/C(=O)[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000238776981 II Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@@]23CC[C@@](C)(C(=O)O2)[C@@]13C ZINC000238777747 II Annotated Anodyne CC(C)CC(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000238777749 II Annotated Anodyne CC(=O)O[C@@H]1/C=C(\C)[C@H](O)C[C@@H]2O[C@]2(C)C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1C(C)C ZINC000238777956 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C=C(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000238778064 II Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238778631 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)[C@]2(C)O[C@@H]2C)C=C(C)[C@@H]2CC(=O)C(C)=C[C@@H]2C1(C)C ZINC000238778793 II Annotated Mild COC(=O)c1cc(OC)cc(OC)c1Oc1c(Cl)c(C)c(Cl)c(O)c1C(=O)OC ZINC000238778920 II Annotated Anodyne C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000238779704 II Annotated Mild Oc1ccc2c(c1O)CC[C@H]1[CH][CH][C@H](O)[C@@H]([CH]1)[C@H]1[CH][C@H]([CH][CH][C@@H]1O)/C=C\c1cccc(c1)O2 ZINC000238780208 II Annotated Clean Oc1ccc2c(c1O)CC[C@H]1[CH][CH][C@H](O)[C@@H]([CH]1)[C@H]1[CH][C@H]([CH][CH][C@@H]1O)/C=C/c1cccc(c1)O2 ZINC000238780213 II Annotated Clean COC(C)(C)/C=C/C[C@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000238780254 II Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@@H](C)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238780465 II Annotated Mild CC[C@@H](C)C(=O)O[C@H](C[C@@H](C)[C@@H]1C[C@H](c2ccoc2)OC1=O)[C@@]1(C)C(=O)CC[C@H]2O[C@]21C ZINC000238780625 II 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[C@H]1OC(=O)/C(C)=C/C ZINC000238780699 II Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C/C)[C@H]1C[C@H]2O[C@@]2(C)C[C@H]1OC(=O)/C(C)=C/C ZINC000238780709 II Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C/C)[C@H]1C[C@H]2O[C@@]2(C)C[C@H]1OC(=O)/C(C)=C\C ZINC000238780716 II Annotated Mild CC(C)CC(=O)O[C@H]1C[C@@H](C)[C@@H]2C[C@H](c3ccoc3)OC(=O)[C@]23O[C@H]3CCC(C)(C)C1=O ZINC000238781185 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@@H]2CC(=O)C(C)=C[C@@H]2C(C)(C)[C@H]1OC(=O)[C@]1(C)O[C@@H]1C ZINC000238781230 II Annotated Mild C=C[C@@]1(C)CC[C@H](/C=C\C=C/C(C)(C)O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)C[C@@H]1C(=C)C ZINC000238781271 II Annotated Mild C=C[C@@]1(C)CC[C@H](/C=C/C=C\C(C)(C)O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)C[C@@H]1C(=C)C ZINC000238781275 II Annotated Mild C=C[C@@]1(C)CC[C@H](/C=C\C=C\C(C)(C)O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)C[C@@H]1C(=C)C ZINC000238781282 II Annotated Mild C=C([C@H](CC=C(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 ZINC000238781610 II Annotated Mild CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)COC(=O)CCC(=O)O)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000238783712 II Annotated Anodyne C[C@H](CCO)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]12C ZINC000238783818 II Annotated Anodyne COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1C[C@H](O)c1ccc(O)cc1 ZINC000238784304 II Annotated Anodyne C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/[C@H](C)CC(C)C)CC[C@@H]2C(=O)O ZINC000238784843 II Annotated Reactive CC(=O)OC[C@@H](O)COC(=O)C[C@H](C)CC[C@@]1(C)C2=CC(=O)CC(C)(C)[C@@H]2CC[C@H]1C ZINC000238784969 II Annotated Mild CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000238785371 II Annotated Mild CC(=O)O[C@@H]1[C@H](C(C)C)[C@@H](OC(=O)/C=C/c2ccccc2)C/C(C)=C/C[C@@H](O)[C@]2(C)O[C@H]12 ZINC000238785701 II Annotated Anodyne CC(=O)O/C=C1\CCC/C(C=O)=C\C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 ZINC000238786628 II Annotated Reactive CC(=O)O/C=C1\CCC/C(C=O)=C/C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 ZINC000238786629 II Annotated Reactive CC(=O)O/C=C1/CCC/C(C=O)=C\C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 ZINC000238786631 II Annotated Reactive CC(=O)O/C=C1/CCC/C(C=O)=C/C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 ZINC000238786633 II Annotated Reactive COc1cc(-c2c([C@@H]3O[C@@H](OC)[C@H](C)[C@H]3C)cc(OC)c(OC)c2OC)cc(OC)c1O ZINC000238788201 II Annotated Anodyne COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCC[N+]13[O-])OC(=O)CCc1ccc(O)c-2c1 ZINC000238789552 II Annotated Bother CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C\C(C)(C)OO)C1 ZINC000238789856 II Annotated Reactive CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C/C(C)(C)OO)C1 ZINC000238789857 II Annotated Reactive O=S(=O)(c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000245380066 II Annotated Clean COc1ccc(CCN(C)c2ccc3nc(O)c(Cc4ccccc4)nc3n2)cc1OC ZINC000002500108 II Annotated Anodyne COc1ccc(CCN(C)c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)cc1OC ZINC000002500110 II Annotated Anodyne Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N=Cc1ccc(Br)s1 ZINC000002596778 II Annotated Anodyne Cc1cc(NC(=O)COC(=O)[C@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)no1 ZINC000002643939 II Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C ZINC000002692925 II Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1C ZINC000002692932 II Annotated Anodyne COc1ccc(CC(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)cc1OC ZINC000002723615 II Annotated Anodyne COc1ccc(CC(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000002723616 II Annotated Anodyne COc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)c1OC ZINC000002724253 II Annotated Anodyne COc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000002724254 II Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cc3ccccc3oc1=O)CC(=O)N2 ZINC000002724285 II Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1cc3ccccc3oc1=O)CC(=O)N2 ZINC000002724286 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000002806094 II Annotated Mild Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12 ZINC000002836801 II Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1CCc1ccccc1)c1ccc(O)c(O)c1 ZINC000002909108 II Annotated Anodyne O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1CCc1ccccc1 ZINC000002909117 II Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916342 II Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916344 II Annotated Anodyne COc1ccc([C@@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916346 II Annotated Anodyne Cc1cc(-n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)ccc1Cl ZINC000002925054 II Annotated Anodyne CC(C)CCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccsc2c1=O ZINC000002925061 II Annotated Anodyne CC[C@@H](C)n1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccsc2c1=O ZINC000002925099 II Annotated Anodyne CC[C@H](C)n1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccsc2c1=O ZINC000002925101 II Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)cc3C)c21 ZINC000002928065 II Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c(C)c1 ZINC000002928067 II Annotated Anodyne Cc1c(C(=O)Nc2ccccn2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000002931185 II Annotated Anodyne COc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1OC ZINC000002934289 II Annotated Clean COc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1OC ZINC000002934291 II Annotated Clean COc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1OC ZINC000002934292 II Annotated Clean COc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1OC ZINC000002934295 II Annotated Clean CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000002937562 II Annotated Anodyne O=c1[nH]c2ccccc2c(=O)n1-c1ccc(C/C(O)=N/CCc2ccccc2Cl)cc1 ZINC000002952627 II Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000002985961 II Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000252033559 II Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000252033560 II Annotated Anodyne CCOc1cc2nc(=S)n(CCCCC(=O)NCc3ccco3)c(O)c2cc1OCC ZINC000253496860 II Annotated Anodyne aggregator CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC[Si](C)(C)C ZINC000253633394 II Annotated Anodyne C[C@]1(CI)CCOO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 ZINC000253634171 II Annotated Reactive C[C@]1(CI)CCOO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 ZINC000253634172 II Annotated Reactive C[C@]1(CI)CCOO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 ZINC000253634173 II Annotated Reactive C[C@]1(CI)CCOO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 ZINC000253634175 II Annotated Reactive CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCC)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253634448 II Annotated Anodyne CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H]([C@@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253634478 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H]([C@@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253634479 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253634480 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253634481 II Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253637108 II Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]12 ZINC000253637111 II Annotated Mild CC(C)OC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253637113 II Annotated Mild NC(=O)O[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000253637913 II Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC[C@H]2CCCCO2)[C@]13C(=O)O ZINC000253638433 II Annotated Mild CC(=O)CCC(=O)OCC[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 ZINC000253638663 II Annotated Mild CC(=O)CCC(=O)OCC[C@@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253638665 II Annotated Mild CC(=O)CCC(=O)OCC[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 ZINC000253638669 II Annotated Mild CC(=O)CCC(=O)OCC[C@@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253638672 II Annotated Mild COC/C=C(\C)CC[C@]1(C)C2=C(CC[C@H]1C)[C@@]1(C)CC[C@H]2[C@@](O)(C2=CC(=O)O[C@H]2O)C1 ZINC000253656613 II Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CSC[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000253668073 II Annotated Anodyne COC(=O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000253668656 II Annotated Mild COC(=O)C(=C[C@@]1(C)C[C@H]2C=C[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000253677682 II Annotated Anodyne COC(=O)C(=C[C@@]1(C)C[C@H]2C=C[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000253677693 II Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)c4ccccc4)[C@H]2O3)cc1 ZINC000253678094 II Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)c4ccccc4)[C@H]2O3)cc1 ZINC000253678098 II Annotated Anodyne O=[N+]([O-])c1cccc(-c2ccc(C=NNc3cc(N4CCCC4)nc(N4CCCC4)n3)o2)c1 ZINC000253683217 II Annotated Mild C[N@+]1(CCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684835 II Annotated Bother C[N@@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684840 II Annotated Bother C[N@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684843 II Annotated Bother C[N@@+]1(CCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000253684847 II Annotated Bother Cc1cccc(C(=O)N[C@@H]2C[C@H](n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1 ZINC000253685225 II Annotated Anodyne C[C@@H]1CCC(=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000253691670 II Annotated Mild C[C@H]1CCC(=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000253691674 II Annotated Mild CCN(CC)[C@@H]1CC[C@@H](NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)CC1 ZINC000253740378 II Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)[C@@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)CC1 ZINC000253740388 II Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000253868635 II Annotated Anodyne CC(C)c1ccc(OC[C@H](O)CN(C)[C@H](C)[C@H](O)c2ccccc2)c(Br)c1 ZINC000253917729 II Annotated Anodyne CC(C)c1ccc(OC[C@H](O)CN(C)[C@H](C)[C@@H](O)c2ccccc2)c(Br)c1 ZINC000253917732 II Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@H]1OC(=O)OCC ZINC000253995100 II Annotated Mild O=C(NC[C@@H]1CC[C@@H](C(=O)O)CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)sn1 ZINC000253995229 II Annotated Anodyne S=C(NN=C(c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000254015118 II Annotated Mild COc1cc(C=c2c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc(OC)c1OC ZINC000254016379 II Annotated Anodyne CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@@H](C)/C=C\CC(=O)OC ZINC000254017702 II Annotated Bother CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@H](C)/C=C/CC(=O)OC ZINC000254017710 II Annotated Bother CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@H](C)/C=C\CC(=O)OC ZINC000254017718 II Annotated Bother C[C@@H]1CC[C@@H]2C(=O)N(CC3CCCCC3)C[C@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254044473 II Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(CC3CCCCC3)C[C@@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254044478 II Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000254045133 II Annotated Anodyne COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000254048080 II Annotated Reactive COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000254048085 II Annotated Reactive COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000254048090 II Annotated Reactive COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000254048094 II Annotated Reactive C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)[C@H](C=C(C)C)OC(C)=O)[C@@]12C(=O)Oc1ccccc1C2=O ZINC000254080376 II Annotated Mild C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)[C@@H](C=C(C)C)OC(C)=O)[C@]12C(=O)Oc1ccccc1C2=O ZINC000254080377 II Annotated Mild COc1ccc(/C=N/OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 ZINC000254081761 II Annotated Mild Cc1nc2ccccc2n1[C@H]1[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]21 ZINC000254085922 II Annotated Anodyne Cc1nc2ccccc2n1[C@@H]1[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]21 ZINC000254085923 II Annotated Anodyne Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000254129570 II Annotated Mild O=C1O[C@@H](CN(Cc2ccccc2)Cc2ccccc2)CN1N=Cc1ccc([N+](=O)[O-])o1 ZINC000254129951 II Annotated Mild O=C1O[C@H](CN(Cc2ccccc2)Cc2ccccc2)CN1N=Cc1ccc([N+](=O)[O-])o1 ZINC000254129952 II Annotated Mild CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C ZINC000254132366 II Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CBr)[C@H]1c1ccccc1 ZINC000254134045 II Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CBr)[C@H]1c1ccccc1 ZINC000254134048 II Annotated Reactive O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H](C2CC2)c2cn[nH]c2C(F)(F)[C@H]1C1CC1 ZINC000254134182 II Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NC3CCCCC3)nc(Br)c3cccnc23)CC1 ZINC000254134832 II Annotated Anodyne COc1ccc(OC)c([C@H]2N[C@@H](c3cc(OC)ccc3OC)[C@H]3C[C@H](C)C[C@H]2C3=O)c1 ZINC000254153422 II Annotated Anodyne COc1ccc(OC)c([C@@H]2N[C@@H](c3cc(OC)ccc3OC)[C@H]3CC(C)C[C@H]2C3=O)c1 ZINC000254153425 II Annotated Anodyne CC[N@+]1(C)CC[C@@](O)(/C=C/c2ccc(OC)cc2)[C@H](C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC000254156467 II Annotated Mild CC[N@+]1(C)CC[C@@](O)(/C=C/c2ccc(OC)cc2)[C@@H](C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC000254156470 II Annotated Mild CC[N@+]1(C)CC[C@](O)(/C=C/c2ccc(OC)cc2)[C@H](C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC000254156471 II Annotated Mild CC[N@+]1(C)CC[C@](O)(/C=C/c2ccc(OC)cc2)[C@@H](C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC000254156474 II Annotated Mild COCCn1c(=NC(=O)/C=C/c2ccccc2Cl)sc2cc(NC(C)=O)ccc21 ZINC000254391152 II Annotated Anodyne Nc1nnnn1N=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000254524633 II Annotated Mild aggregator Cc1cc(C=Nn2c(COc3ccccc3C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1 ZINC000254594688 II Annotated Mild aggregator Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000254594974 II Annotated Reactive aggregator COC(=O)c1cc(=O)n(CCc2ccccc2F)c(=Nc2ccc(F)c(Cl)c2)s1 ZINC000254756599 II Annotated Anodyne CCOCCn1c(=NC(=O)/C=C/c2ccccc2Cl)sc2cc(NC(C)=O)ccc21 ZINC000254823224 II Annotated Anodyne COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1[N+](=O)[O-] ZINC000025978802 II Annotated Bother COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(C#N)c1C#N ZINC000025978928 II Annotated Mild CCCC/N=C(\N)c1ccc(N2CCCN(c3ccc(/C(N)=N/CCCC)cc3)CC2)cc1 ZINC000025992157 II Annotated Mild CC(C)(C)/N=C(\N)c1ccc(N2CCCN(c3ccc(/C(N)=N/C(C)(C)C)cc3)CC2)cc1 ZINC000025997514 II Annotated Mild C[C@H]([C@H]1CCC(C)(C)O1)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000255201040 II Annotated Anodyne C[C@]12[C@H]3C[C@H]4C[C@]1(CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c5ccc(=O)oc5)CC[C@]12O)O[C@](C)(O4)O3 ZINC000255201078 II Annotated Anodyne CN[C@H](C)[C@H]1C(=O)C[C@]2(C)[C@H]3CC[C@H]4[C@](C)(CO)[C@H](N(C)C)CC[C@]45C[C@]35CC[C@]12C ZINC000255202398 II Annotated Anodyne CC1(C)C[C@H]2C3=CC[C@H]4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@H]3C[C@H]3O[C@@H]1[C@@H](O)[C@@]23CO ZINC000255205297 II Annotated Anodyne C[C@H](CC(=O)O)C1=CC(=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@H]1CC3 ZINC000255208035 II Annotated Mild C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@H](NC=O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 ZINC000255209042 II Annotated Anodyne C[C@H]1C[C@H](O)[C@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](NC=O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 ZINC000255209043 II Annotated Anodyne CC1(C)C(=O)CC[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 ZINC000255209661 II Annotated Mild C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12OC(=O)[C@H](C)C[C@@H]2O ZINC000255209665 II Annotated Mild CN[C@@H]1CC[C@@]23C[C@@]24[C@@H](O)C[C@]2(C)[C@@H]([C@H](C)N(C)C(C)=O)CC[C@@]2(C)[C@@H]4C=C[C@H]3[C@H]1C ZINC000255209892 II Annotated Anodyne CC1=C2C[C@@H]3[C@H](C[C@H](O)[C@@H]4C[C@H](O)CC[C@]43C)[C@H]2CC[C@H]1[C@H](C)[C@H]1[C@@H](O)C[C@H](C)CN1C ZINC000255213690 II Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1CC(C)=CC[C@@H](OC(C)=O)[C@](C)(OC[C@@H]2C)[C@@H]3O1 ZINC000255214357 II Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](CC(C)=CC[C@@H](OC(C)=O)[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000255214358 II Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1C/C(C)=C\C[C@@H](OC(C)=O)[C@](C)(OC[C@@H]2C)[C@@H]3O1 ZINC000255214359 II Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]3C[C@H]4[C@H](CC(=O)[C@H]5CC(=O)CC[C@@]54C)[C@H]3CC[C@H]1[C@@]2(C)O ZINC000255215568 II Annotated Anodyne C[C@@H]1C2=C(CC[C@@H]1[C@@H](C)[C@H]1[C@H](O)C[C@@H](C)CN1C)C1=CC(=O)[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C2 ZINC000255219173 II Annotated Mild C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5[C@@H](O)CC6=CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3C(=O)N2C1 ZINC000255221652 II Annotated Mild C[C@H]1CC[C@@H]2[C@@H](N1)C(=O)[C@H]1C[C@H]([C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C)CC[C@@H]1[C@H]2C ZINC000255229889 II Annotated Anodyne C[C@H](CO)CC[C@H]1O[C@H]2C[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@H]2[C@@H]1C ZINC000255232074 II Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255236212 II Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@@]12C)N(C)C ZINC000255236215 II Annotated Anodyne COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N@+]1([O-])C3 ZINC000255236851 II Annotated Bother C[C@H]1[C@H]2[C@](O)(C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255237904 II Annotated Anodyne C[C@H]1[C@H]2[C@](O)(C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255237907 II Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255245087 II Annotated Anodyne CC1(C)C(=O)C[C@@H]2OC3=C4[C@]2(C)C1=C(O)C(=O)[C@@]4(C)[C@@]12O[C@@H]1C[C@@H](c1ccoc1)[C@]2(C)C3 ZINC000255248681 II Annotated Mild CC1=C[C@@](C)(O)[C@H](C)O[C@H]1/C(C)=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C ZINC000255253440 II Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255260262 II Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)COCN[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255260263 II Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC=C2[C@H]3[C@H](O)[C@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261999 II Annotated Anodyne CC1=C2C[C@@H]3[C@H](CC(=O)[C@@H]4C[C@H](O)CC[C@]43C)[C@H]2CC[C@H]1[C@H](C)[C@H]1[C@@H](O)C[C@H](C)CN1C ZINC000255262435 II Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@H]1[C@H](C)[C@@H]1NC[C@@H](C)C[C@@H]1O ZINC000255263588 II 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(=O)C[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000255268118 II Annotated Anodyne C[C@H]1CN[C@@H]2C[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC=C6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1 ZINC000255271836 II Annotated Anodyne CC(C)[C@H](C)[C@H](O)[C@H]1C[C@]23CC[C@]4(O)C(=C2CC[C@@H]3[C@@H]1C)C=C[C@@]1(O)C[C@H](O)CC[C@]14C ZINC000255275104 II Annotated Anodyne C[C@H]1CC[C@H]([C@H]2CO[C@@]3(C)[C@@H]4C[C@H]5[C@@H](CC(=O)[C@H]6C[C@@H](O)CC[C@@]65C)[C@@H]4CC[C@H]23)NC1 ZINC000255277246 II Annotated Anodyne CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@@]4(CO)[C@@H]3CC[C@@]21C ZINC000255281338 II Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255284479 II Annotated Anodyne CO[C@@]12C[C@@H]3CC[C@@H]([C@H](C)c4ccc5c(c41)C[C@H]1[C@H]5C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]41C)N2C3 ZINC000255286848 II Annotated Anodyne O=C(N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1)C1(Cc2ccccc2)CCOCC1 ZINC000257272774 II Annotated Anodyne O=C(N1CCOC[C@H](Cc2ccc3ccncc3c2)C1)C1(Cc2ccccc2)CCOCC1 ZINC000257272775 II Annotated Anodyne CC(C)Oc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CCN2C)cc1 ZINC000257280054 II Annotated Anodyne CC(C)Oc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CCN2C)cc1 ZINC000257280055 II Annotated Anodyne CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257316672 II Annotated Anodyne CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000257316673 II Annotated Anodyne COc1cc([C@@H]2OC[C@H]3[C@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000257410816 II Annotated Anodyne COc1cc([C@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000257410817 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]1C ZINC000257427192 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1C ZINC000257427193 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C ZINC000257427194 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@H]1C ZINC000257427195 II Annotated Anodyne CC[C@@H]1C(=O)C=C[C@@](C)(O)[C@]1(C)CCC[C@@H](C)CC[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](CC)CO ZINC000257432719 II Annotated Mild CC[C@@H]1C(=O)C=C[C@](C)(O)[C@]1(C)CCC[C@@H](C)CC[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](CC)CO ZINC000257432720 II Annotated Mild CC[C@H](CO)[C@H](O)C[C@H](O)[C@H](C)CC[C@H](C)CCC[C@]1(C)[C@@H](CC)C(=O)C=C[C@]1(C)O ZINC000257432721 II Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000257453254 II Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000257453255 II Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000257453256 II Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000257453257 II Annotated Mild COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N@@+]1([O-])C3 ZINC000257486694 II Annotated Bother COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000257520341 II Annotated Reactive C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)/C(C)=C/C)CC[C@H]1C)[C@H]2OC(=O)/C(C)=C/C ZINC000257544870 II Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2OC(=O)/C(C)=C/C ZINC000257544871 II Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]2OC(=O)/C(C)=C/C ZINC000257544872 II Annotated Mild C=C1[C@@H]2[C@H]([C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC)[C@H]([C@H](C)O)C(=O)[C@@H]2OC(=O)[C@@H](C)CC ZINC000257712455 II Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@H]([C@H](C)O)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000257712456 II Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@H]([C@H](C)O)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000257712457 II Annotated Mild C=C1[C@@H]2[C@H]([C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC)[C@H]([C@H](C)O)C(=O)[C@@H]2OC(=O)[C@H](C)CC ZINC000257712458 II Annotated Mild CCN(CC)CCNC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000026012397 II Annotated Anodyne CCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)c(Cl)c1 ZINC000026013302 II Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2nccc3ccccc23)n(Cc2ccccc2)n1 ZINC000026026920 II Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2cnc3ccccc3c2)n(Cc2ccccc2)n1 ZINC000026028509 II Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nccc(N4CCCCC4)c3Br)nc2c1 ZINC000026146989 II Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nccc(N4CCCCC4)c3Br)nc2c1 ZINC000026146995 II Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)c2[nH]c(-c3cccnc3)nc21 ZINC000026153327 II Annotated Mild O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000026158894 II Annotated Mild CCCC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3ccccc35)cc2c1 ZINC000026161797 II Annotated Mild Cc1cc(C)c(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c(C)c1 ZINC000026165743 II Annotated Clean Cc1cc(C)c(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c(C)c1 ZINC000026165748 II Annotated Clean CC[C@@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166419 II Annotated Clean CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166424 II Annotated Clean CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166429 II Annotated Clean CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166434 II Annotated Clean CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21 ZINC000026167343 II Annotated Anodyne CC(C)Oc1c(O)c(C(=O)Nc2ccc(N=C(N)N)nc2)cc2cc3ccccc3cc12 ZINC000026168001 II Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)Oc4c(C=O)c(C=O)cc(O)c4C[C@@H]32)C1(C)C ZINC000026175135 II Annotated Anodyne COc1ccc2c(c1)CCc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c(C)n1-2 ZINC000026183052 II Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(CCc2ccccc2F)Cc2[nH]cnc2C)cc1 ZINC000026270397 II Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000026281017 II Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](C)CC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000026281023 II Annotated Anodyne CN(C)CCNc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000026294435 II Annotated Mild N#Cc1ccc(Nc2nc(Cc3c(Cl)cccc3Cl)nc(N3CCOCC3)n2)cc1 ZINC000026294437 II Annotated Mild C[C@@]1(C(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)C=Cc2ccccc21 ZINC000026296796 II Annotated Anodyne C[C@]1(C(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)C=Cc2ccccc21 ZINC000026296802 II Annotated Anodyne C[C@@]1(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)C=Cc2ccccc21 ZINC000026296806 II Annotated Anodyne C[C@]1(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)C=Cc2ccccc21 ZINC000026296811 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CCP(=O)(OCC)OCC)CC[C@H]2CN1C(=O)OC ZINC000026375538 II Annotated Anodyne CN(C)CCOc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000026379175 II Annotated Mild N#CCC/N=C(/S)C1=CC(C(F)(F)F)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 ZINC000026389579 II Annotated Mild C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026403488 II Annotated Reactive C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026403491 II Annotated Reactive in-vitro C=C(CO)[C@@H]1C[C@@]2(C)C(=C[C@H]1O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026469973 II Annotated Mild C=C(CO)[C@@H]1C[C@@]2(C)C(=C[C@H]1O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026469983 II Annotated Mild CCN(CC)CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@H]23)cc1 ZINC000026476099 II Annotated Anodyne CCN(CC)CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@H]23)cc1 ZINC000026476107 II Annotated Anodyne CCN(CC)CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@@H]23)cc1 ZINC000026476114 II Annotated Anodyne Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 ZINC000026489056 II Annotated Anodyne CCCCCOC[C@@]1(C)CCc2c(C)c(OC(=O)[C@@H](N)CCCCN)c(C)c(C)c2O1 ZINC000026490160 II Annotated Anodyne CCCCCOC[C@]1(C)CCc2c(C)c(OC(=O)[C@@H](N)CCCCN)c(C)c(C)c2O1 ZINC000026490164 II Annotated Anodyne O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 ZINC000026492189 II Annotated Anodyne CCOC(=O)N1C(C(F)(F)F)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000026493385 II Annotated Bother CCOC(=O)N1C(C(F)(F)F)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000026493389 II Annotated Bother O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 ZINC000026498035 II Annotated Anodyne CCn1nc2c(c1C)[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261074811 II Annotated Anodyne CCn1nc2c(c1C)[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261074820 II Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(-n4ccnn4)cc3)c2cn1)c1ccc(F)cc1 ZINC000261082488 II Annotated Anodyne CO[C@@]12C=C[C@@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000261089871 II Annotated Anodyne in-vivo Cc1cc(N2C(=O)c3nn(C(C)C)c(C)c3[C@@H]2c2ccc(F)cc2F)cn2c(C)nnc12 ZINC000261096496 II Annotated Anodyne Cc1cc(N2C(=O)c3nn(C(C)C)c(C)c3[C@H]2c2ccc(F)cc2F)cn2c(C)nnc12 ZINC000261096500 II Annotated Anodyne C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)nc4)nc32)CC1 ZINC000261102828 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CCCC(F)(F)C2)cc1F ZINC000261106218 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@H]2CCCC(F)(F)C2)cc1F ZINC000261106219 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC2C3CC4CC(C3)CC2C4)cc1F ZINC000261106251 II Annotated Anodyne COc1ccc2c(c1)[C@]1(N=C(N)N3[C@H](C(F)(F)F)CCC[C@@H]31)C1(CCC(OC)CC1)C2 ZINC000261108269 II Annotated Anodyne COc1ccc2c(c1)[C@]1(N=C(N)N3[C@H](C(F)(F)F)CCC[C@H]31)C1(CCC(OC)CC1)C2 ZINC000261108270 II Annotated Anodyne Cc1nn(C(C)C)c2c1[C@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261114323 II Annotated Anodyne Cc1nn(C(C)C)c2c1[C@@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261114325 II Annotated Anodyne CCN1CCN(c2cc3[nH]c(C(=O)[C@@]4(CC)CC[C@](C)(O)CC4)nc3cc2Cl)CC1 ZINC000261116393 II Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4cn(C)nc4c3)c2cn1)c1ccccc1 ZINC000261118949 II Annotated Anodyne CS(=O)(=O)c1ccccc1Cc1c(O)nc(O)nc1[C@@H]1CC[C@H](c2ccccc2)CC1 ZINC000261122745 II Annotated Anodyne CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1F ZINC000261128008 II Annotated Anodyne CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1F ZINC000261128009 II Annotated Anodyne Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCC[C@@H]3CCCNC3)nn12 ZINC000261128544 II Annotated Anodyne Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCC[C@H]3CCCNC3)nn12 ZINC000261128546 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261129287 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261129289 II Annotated Anodyne Cc1nn(C(C)C)c2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261134184 II Annotated Anodyne Cc1nn(C(C)C)c2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261134185 II Annotated Anodyne N#Cc1ccc(O[C@@H]2CC[C@@H](NC(=O)CCSc3nc(O)c4ccccc4n3)CC2)cc1 ZINC000261136256 II Annotated Mild CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C(F)(F)F)CC2)cc1F ZINC000261137283 II Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1F ZINC000261137284 II Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCN(C3CC3)C2=O)CC1 ZINC000261143334 II Annotated Anodyne CCN1CCN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O ZINC000261147270 II Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000261150074 II Annotated Anodyne C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000261150075 II Annotated Anodyne CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000261157492 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCC2)cc1F ZINC000261160930 II Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](COCC4CC4)c4ccccc4)ncc23)no1 ZINC000261162816 II Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1ccccc1 ZINC000261169643 II Annotated Anodyne C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@H]2C=CC(Cl)=C[C@H]2N1c1cccc(F)c1 ZINC000261170148 II Annotated Reactive C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@@H]2C=CC(Cl)=C[C@H]2N1c1cccc(F)c1 ZINC000261170150 II Annotated Reactive Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cn(C)c(=O)c3[nH]ccc13)C2=O ZINC000261172609 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cn(C)c(=O)c3[nH]ccc13)C2=O ZINC000261172614 II Annotated Anodyne COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 ZINC000261173132 II Annotated Anodyne CC(=O)[C@H]1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000261173568 II Annotated Anodyne CC(=O)[C@@H]1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000261173569 II Annotated Anodyne Cc1cc(N2C(=O)c3c(c(C4CC4)nn3C)[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261178403 II Annotated Anodyne Cc1cc(N2C(=O)c3c(c(C4CC4)nn3C)[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261178405 II Annotated Anodyne COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(C(C)=O)s1 ZINC000261179238 II Annotated Anodyne C[C@@H](NC(=O)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1)c1ccccc1 ZINC000261183693 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261184003 II Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261184004 II Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N4CCN(c5ccc(F)cc5)C[C@@H]4C)ncc23)ccn1 ZINC000261184752 II Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N4CCN(c5ccc(F)cc5)C[C@H]4C)ncc23)ccn1 ZINC000261184753 II Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC2CCC(Cl)(Cl)CC2)cc1F ZINC000261186718 II Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](COCC(F)F)c4ccccc4)ncc23)no1 ZINC000261188261 II Annotated Anodyne O=C(NC1(c2ccccc2)CC1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000261189532 II Annotated Anodyne C[C@]12CC[C@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1 ZINC000261494696 II Annotated Anodyne in-man C[C@]12CC[C@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1 ZINC000261494697 II Annotated Anodyne in-man CCN/[SH]=C/N=C1\C=CC(=C2c3ccc(O)cc3Oc3cc(O)ccc32)C(C(=O)O)=C1 ZINC000261527187 II Annotated Mild C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4cc(N5CCOCC5)ccc4CCN3C[C@@H]12 ZINC000263590718 II Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000263591825 II Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000263591826 II Annotated Anodyne COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 ZINC000263592211 II Annotated Mild COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 ZINC000263592212 II Annotated Mild COCCN=c1scc(-c2cc(OC)ccc2OC)n1N/C=C1\C=Nc2ccccc21 ZINC000263592217 II Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)cc5)CC4)cn3)nccc12 ZINC000263620742 II Annotated Anodyne Cc1ccc(-n2[nH]c(C(C)(C)C)cc2=NC(=O)Nc2cc(COc3cccnc3)n[nH]2)cc1 ZINC000263620837 II Annotated Anodyne in-vitro O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 ZINC000026502455 II Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1 ZINC000026504583 II Annotated Anodyne c1ccc([C@@H](c2cccnc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026504864 II Annotated Anodyne c1ccc([C@H](c2cccnc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026504868 II Annotated Anodyne c1ccc([C@@H](c2ccccn2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026506052 II Annotated Anodyne c1ccc([C@H](c2ccccn2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026506057 II Annotated Anodyne c1ccc([C@@H](c2ccncc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026506497 II Annotated Anodyne c1ccc([C@H](c2ccncc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026506502 II Annotated Anodyne COc1ccc(C(F)(F)F)cc1[C@H]1COC[C@@]2(C1)OCCN[C@H]2c1ccc(F)cc1 ZINC000026566566 II Annotated Anodyne COc1ccc(C(F)(F)F)cc1[C@H]1COC[C@]2(C1)OCCN[C@H]2c1ccc(F)cc1 ZINC000026566569 II Annotated Anodyne COc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2CC(=O)N(C)C)cc1OC ZINC000026576483 II Annotated Anodyne COC(=O)[C@]12CCCN1C[C@](Cc1ccc3ccccc3c1)(NC(=O)OC(C)(C)C)CC2 ZINC000026578088 II Annotated Anodyne COc1cccc2c1oc1c3c(cc4c1c2nn4CCOS(C)(=O)=O)OC(C)(C)C=C3 ZINC000026578553 II Annotated Mild CCCCN1C(=O)NC(=O)/C(=C2\C[C@@H](c3cccc(O)c3)Sc3ccccc3N2)C1=O ZINC000026599750 II Annotated Anodyne CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3cccc(O)c3)Sc3ccccc3N2)C1=O ZINC000026599752 II Annotated Anodyne CCCCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCCCC)cc3)CC2)cc1 ZINC000026637538 II Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000026639857 II Annotated Anodyne CCCCN1CC=C(c2c(CO)c(CO)cc3cc(OCC)c(OCC)cc23)CC1=O ZINC000026641767 II Annotated Anodyne COc1ccc(/C(Br)=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000026651399 II Annotated Anodyne COc1ccc(C(=O)N/C(C(=O)N2CCCCC2)=C(/Br)c2ccccc2)cc1 ZINC000026653618 II Annotated Anodyne COC1=CC(=O)c2c(c(COC(=O)Cc3ccc(-c4ccccc4)cc3)c(C)n2C)C1=O ZINC000026656345 II Annotated Mild CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000026657393 II Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000026657398 II Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1Cl ZINC000026657899 II Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1Cl ZINC000026657905 II Annotated Anodyne COc1ccc(Cl)c2c1NC(=O)[C@H]2NNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000026659354 II Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000026663049 II Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000026663054 II Annotated Anodyne O=C(O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCCCCc1ccccc1 ZINC000026664629 II Annotated Anodyne O=C(O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCCCCc1ccccc1 ZINC000026664633 II Annotated Anodyne COC(C/N=C(\S)Nc1c(Br)cc(Cl)cc1Br)OC ZINC000026669916 II Annotated Mild Cc1cc2c(n1Cc1ccccc1)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 ZINC000026720286 II Annotated Anodyne CC(C)c1nc2c(Nc3ccc(Cl)cc3)nc(N3CCC4(CC3)OCCO4)nc2[nH]1 ZINC000026725217 II Annotated Anodyne CC(C)(C)c1nc(OCC(=O)O)c(C#N)c(SCc2ccc(Br)cc2)n1 ZINC000026729548 II Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H](I)COC(=O)CC2 ZINC000026738247 II Annotated Reactive COc1ccc2cc1Oc1ccc(cc1)C[C@@H](I)COC(=O)CC2 ZINC000026738252 II Annotated Reactive CO[C@]12C=C[C@]34C[C@@]1(C)C(c1ccccc1)=N[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000026745696 II Annotated Anodyne CCC(=O)Nc1cc(C)c(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c(OC)c1 ZINC000026750268 II Annotated Anodyne CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N(C)[C@H]2[C@@]31CCN(C)[C@@H]4Cc2ccc(O)cc21 ZINC000026816833 II Annotated Anodyne in-vivo CC[C@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O ZINC000026824443 II Annotated Anodyne CC[C@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O ZINC000026824448 II Annotated Anodyne CC[C@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O ZINC000026824453 II Annotated Anodyne CCCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2ccc(=O)[nH]c12 ZINC000026830037 II Annotated Anodyne CC(C)c1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2c1NC(=O)CC2 ZINC000026830168 II Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H](OC(C)=O)C(C)(C)O2 ZINC000026834305 II Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@@H](OC(C)=O)C(C)(C)O2 ZINC000026834308 II Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C(=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000026834699 II Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C(=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000026834701 II Annotated Bother CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@]1(C)CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O ZINC000026834829 II Annotated Anodyne CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O ZINC000026834832 II Annotated Anodyne CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@]1(C)CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O ZINC000026834834 II Annotated Anodyne CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@]1(C)CC[C@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O ZINC000026834835 II Annotated Anodyne CCCCSc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N3CCCC3)cc1)[n+]2C ZINC000026836512 II Annotated Mild O=C1c2ccccc2N(Cc2ccccc2Cl)S(=O)(=O)N1COCc1ccccc1 ZINC000026836922 II Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C(=N)O)cc12 ZINC000026842408 II Annotated Clean CC(=O)N(C)c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000026844528 II Annotated Clean CC(=O)N(C)CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026847585 II Annotated Clean COc1cc(N(C(C)=O)S(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000026852181 II Annotated Clean CCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000026852190 II Annotated Clean C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccccc21 ZINC000026935731 II Annotated Clean COC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000026939227 II Annotated Clean O=C1CSCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2 ZINC000026951133 II Annotated Mild Clc1cc2nc(C3CCNCC3)n(Cc3ccc(Cn4cncn4)cc3)c2cc1Cl ZINC000026955099 II Annotated Anodyne OCCN1CCN(CCCN2c3cscc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000026957046 II Annotated Anodyne OCCN1CCN(CCCN2c3cc(C(F)(F)F)ccc3Sc3ccsc32)CC1 ZINC000026958919 II Annotated Anodyne O=C1c2nccc(Cl)c2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21 ZINC000026973462 II Annotated Clean CC/C=C/OCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000026985653 II Annotated Bother O=C(O)C[C@@H]1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc21 ZINC000026985734 II Annotated Anodyne Cc1c(OC(=O)CCN)c(=O)ccn1CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026994314 II Annotated Anodyne CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000027073414 II Annotated Anodyne CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@@H](O)C[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027085674 II Annotated Mild O=[N+]([O-])c1cc([N+](=O)[O-])c(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1Cl ZINC000027099677 II Annotated Mild COc1cc2c(cc3c4c(cc5c(c42)OCO5)C(=O)N3CCC=O)c(OC)c1OC(C)C ZINC000027105530 II Annotated Mild O/C(CN1CCCC1)=N\c1nc2cc3nc(/N=C(\O)CN4CCCC4)sc3cc2s1 ZINC000027110038 II Annotated Mild CC[C@H]1C(C(N)=O)=C2C(OCC(=O)O)=CC=CN2/C1=C\c1ccccc1Cc1ccccc1 ZINC000027184953 II Annotated Anodyne CCN(CC)CCNc1ccc(CN)c2sc3ccc(Br)cc3c(=O)c12 ZINC000027191606 II Annotated Bother CCC1(CC)C(=O)N(C(=O)NCc2ccc(Cl)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208886 II Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(Cl)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208888 II Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(SC)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209714 II Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(SC)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209717 II Annotated Anodyne O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1 ZINC000027300797 II Annotated Anodyne NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3Cl)ccc2c1=O ZINC000027305763 II Annotated Anodyne CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O ZINC000027307409 II Annotated Anodyne N=C(/N=C(/N)NC1CCCCC1)NOCCCOc1cc(Cl)c(Cl)cc1Cl ZINC000027307995 II Annotated Mild C#C/C=C(\c1ccc(OC(F)(F)F)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000027308457 II Annotated Mild C#C/C=C(\c1cccc(C(F)(F)F)c1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000027308462 II Annotated Mild COc1ccc(CS[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000027309843 II Annotated Anodyne CC(=O)N(C)N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000027320059 II Annotated Reactive CC(=O)N(C)N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000027320065 II Annotated Reactive CCCN(CCC)CCc1ccc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c1 ZINC000027323022 II Annotated Anodyne COC(=O)Nc1nc2cc(C(=O)c3cc(COC(=O)c4ccccc4)cs3)ccc2[nH]1 ZINC000027331910 II Annotated Anodyne CS(=O)(=O)N1C[C@@H](CCl)c2cc(Br)c(OCc3ccccc3)cc21 ZINC000027412170 II Annotated Reactive CS(=O)(=O)N1C[C@H](CCl)c2cc(Br)c(OCc3ccccc3)cc21 ZINC000027412176 II Annotated Reactive COC(=O)Nc1nc2cc(C(=O)c3cc(CC(=O)OCc4ccccc4)cs3)ccc2[nH]1 ZINC000027412623 II Annotated Anodyne COC(=O)Nc1nc2cc(C(=O)c3cc(CNC(=O)OC(C)(C)C)cs3)ccc2[nH]1 ZINC000027412973 II Annotated Anodyne CCC[C@]12c3c4ccc(O)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)[C@H](NC)C4 ZINC000027420192 II Annotated Mild CCC[C@]12c3c4ccc(O)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)[C@@H](NC)C4 ZINC000027420197 II Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCCC1CCCC1)O2 ZINC000027425515 II Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCCC1CCCC1)O2 ZINC000027425519 II Annotated Anodyne Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)c1cnccn1 ZINC000027434031 II Annotated Anodyne O=C(Nc1ccc2scnc2c1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000027438511 II Annotated Anodyne COC(=O)C[C@@H](NC[C@@H]1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 ZINC000027520125 II Annotated Anodyne COC(=O)C[C@H](NC[C@@H]1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 ZINC000027520127 II Annotated Anodyne COC(=O)C[C@@H](NC[C@H]1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 ZINC000027520129 II Annotated Anodyne COC(=O)C[C@H](NC[C@H]1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 ZINC000027520131 II Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000027520910 II Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000027520912 II Annotated Anodyne Cc1cc(CCCCCOc2c(Br)cc(C3=NCCO3)cc2[N+](=O)[O-])on1 ZINC000027522345 II Annotated Bother CS(=O)(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000027522661 II Annotated Anodyne COc1ccc2c(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccc(OC)cc3oc2c1 ZINC000027523002 II Annotated Bother CS(=O)(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000027523609 II Annotated Anodyne CCCc1c2c(cc(C(=O)OC)c1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1C=C2 ZINC000027524423 II Annotated Anodyne CCCc1c2c(cc(C(=O)OC)c1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C=C2 ZINC000027524424 II Annotated Anodyne CCCc1c(C(=O)OC)c(C(=O)OC)cc2c1C(=O)C[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000027524577 II Annotated Anodyne CCCc1c(C(=O)OC)c(C(=O)OC)cc2c1C(=O)C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000027524578 II Annotated Anodyne CN(C)CCn1[nH]c2c3cc(OC(=O)c4ccccc4)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027546424 II Annotated Bother CCOC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 ZINC000027548553 II Annotated Bother COc1ccc(S(N)(=O)=O)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552699 II Annotated Anodyne COc1ccc(S(N)(=O)=O)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027552702 II Annotated Anodyne CCOc1ccccc1N(C)C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554148 II Annotated Anodyne CCOc1ccccc1N(C)C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554150 II Annotated Anodyne CCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554655 II Annotated Anodyne CCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554657 II Annotated Anodyne COc1ccccc1N(C)C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554933 II Annotated Anodyne COc1ccccc1N(C)C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554935 II Annotated Anodyne CC(C)N(C(=O)CN(C(=O)CNC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000027558548 II Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](N)Cc1ccccc1 ZINC000027563063 II Annotated Anodyne CCC[C@@H]1CC[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]1COC(=O)C(C)(C)CC ZINC000027563863 II Annotated Anodyne in-vitro CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000027564529 II Annotated Mild COc1ccc2nc(C3(OC)C=CC(=NS(=O)(=O)c4ccc(C)cc4)C=C3)sc2c1 ZINC000027620777 II Annotated Mild O=C(Cc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027632572 II Annotated Reactive CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@]23O[C@H]13 ZINC000027634040 II Annotated Anodyne OCCNCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027652323 II Annotated Bother CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(-c3c(F)cccc3Cl)no2)cs1 ZINC000027654836 II Annotated Mild CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC(C(=O)O)CC1)O2 ZINC000027655603 II Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1C1=CC=CN(C(=O)OC(C)(C)C)C1 ZINC000027717057 II Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1C1=CC=CN(C(=O)OC(C)(C)C)C1 ZINC000027717063 II Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1C1=CCN(C(=O)OC(C)(C)C)C=C1 ZINC000027717090 II Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1C1=CCN(C(=O)OC(C)(C)C)C=C1 ZINC000027717096 II Annotated Anodyne COc1cc2c(cc1OC)C[C@H](NCC[C@@H](c1ccccc1)c1ccccc1OC)[C@@H](O)C2 ZINC000027717753 II Annotated Anodyne COc1cc2c(cc1OC)C[C@H](NCC[C@H](c1ccccc1)c1ccccc1OC)[C@@H](O)C2 ZINC000027717759 II Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(CCN1C(C)(C)CCCC1(C)C)C3 ZINC000027745391 II Annotated Anodyne CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(CCN1CC2CCC(CC2)C1)C3 ZINC000027756310 II Annotated Anodyne C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1 ZINC000027761013 II Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnc[nH]2)cc1-c1ccccc1C)C(=O)O ZINC000027765076 II Annotated Anodyne N=C(N)SCCCn1c(-c2cc3ccccc3o2)c(C2=CC(=O)NC2=O)c2ccccc21 ZINC000027769519 II Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(C#Cc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027842324 II Annotated Mild CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 ZINC000027842987 II Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 ZINC000027842997 II Annotated Anodyne C[C@@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CO)C(=O)O)C1=O ZINC000027844126 II Annotated Anodyne C[C@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CO)C(=O)O)C1=O ZINC000027844133 II Annotated Anodyne C[C@@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CO)C(=O)O)C1=O ZINC000027844138 II Annotated Anodyne C[C@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CO)C(=O)O)C1=O ZINC000027844146 II Annotated Anodyne Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 ZINC000027859028 II Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1N1N=CC=CN1Cc1ccccc1 ZINC000027861436 II Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1N1N=CC=CN1Cc1ccccc1 ZINC000027861442 II Annotated Anodyne C[N+]1(CCO[P@](=O)(O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1 ZINC000027862656 II Annotated Bother C[N+]1(CCO[P@](=O)(O)OCCCCC=C2C3CC4CC(C3)CC2C4)CCOCC1 ZINC000027868796 II Annotated Bother CC[C@@]12CCC[C@H]3[C@H](C(=O)NCCN4CCCC4)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 ZINC000027893218 II Annotated Anodyne COc1nnc(Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c2ccccc12 ZINC000027893636 II Annotated Clean O=C1C[C@@H](SCCO)/C(=C/C#Cc2ccccc2)[C@H]1[C@@H](SCCO)c1ccccc1 ZINC000027894380 II Annotated Mild O=C1C[C@H](SCCO)/C(=C\C#Cc2ccccc2)[C@H]1[C@@H](SCCO)c1ccccc1 ZINC000027894387 II Annotated Mild CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2 ZINC000027898242 II Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2 ZINC000027898249 II Annotated Mild CC[C@@]12C=C(C(=O)OCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027899158 II Annotated Anodyne CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)NCCN(C)C)c(Cl)c1Cl)C2 ZINC000027899922 II Annotated Mild CCC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)NCCN(C)C)c(Cl)c1Cl)C2 ZINC000027899928 II Annotated Mild CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](OC)c2scnc2C)CC1 ZINC000027984495 II Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](OC)c2scnc2C)CC1 ZINC000027984501 II Annotated Anodyne C[C@@H](C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cccnc1 ZINC000027988743 II Annotated Anodyne C[C@H](C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cccnc1 ZINC000027988750 II Annotated Anodyne C[C@@H](C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cccnc1 ZINC000027988757 II Annotated Anodyne C[C@H](C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cccnc1 ZINC000027988762 II Annotated Anodyne CN(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cccnc1 ZINC000027991914 II Annotated Anodyne CN(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cccnc1 ZINC000027991918 II Annotated Anodyne CN(C)S(=O)(=O)c1ccc2oc(N[C@@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 ZINC000028002320 II Annotated Anodyne CN(C)S(=O)(=O)c1ccc2oc(N[C@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 ZINC000028002325 II Annotated Anodyne CN(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccncc1 ZINC000028005998 II Annotated Anodyne CN(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccncc1 ZINC000028006002 II Annotated Anodyne CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](SCCO)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000028010594 II Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](SCCO)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000028010599 II Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/O[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000028011646 II Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC[C@@H]2CCCCO2)[C@]13C(=O)O ZINC000028012910 II Annotated Mild CCOC(=O)N1COCc2c1ccc1cc3ccc4c(c3nc21)COCN4C(=O)OCC ZINC000028090170 II Annotated Bother COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3cccnc23)CCC[C@H]1CN(C)C ZINC000028091667 II Annotated Anodyne COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3cccnc23)CCC[C@@H]1CN(C)C ZINC000028091672 II Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2cccs2)CC1 ZINC000028094783 II Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OCc3ccccc3)cc1)[C@@H](C)N2 ZINC000028106320 II Annotated Anodyne O=C1OCc2c1cc1c(Br)cc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 ZINC000028114936 II Annotated Anodyne O=C(O)C[C@H](c1c[nH]cn1)N(CCc1ccc(F)cc1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000028123032 II Annotated Anodyne O=C(O)C[C@@H](c1c[nH]cn1)N(CCc1ccc(F)cc1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000028123040 II Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](C(C)C)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028127455 II Annotated Anodyne CS(=O)(=O)c1ccc(N(CC2CCCC2)C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000028131354 II Annotated Anodyne O=C1c2ccccc2C(=O)N1CCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028228314 II Annotated Anodyne O=C1CCC(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028228877 II Annotated Anodyne O[C@@]1(c2cccc(COc3ccc4c(-c5ccoc5)cncc4c3)n2)C[C@H]2CO[C@@H](C1)O2 ZINC000028252842 II Annotated Anodyne O[C@]1(c2cccc(COc3ccc4c(-c5ccoc5)cncc4c3)n2)C[C@H]2CO[C@@H](C1)O2 ZINC000028252848 II Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028263868 II Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCCc1ccccc1 ZINC000028331688 II Annotated Anodyne COC(=O)[C@H]1[C@@H](c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)[C@@H]2C=C[C@H]1CC2 ZINC000028337937 II Annotated Mild COC(=O)[C@@H]1[C@@H](c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)[C@@H]2C=C[C@H]1CC2 ZINC000028337944 II Annotated Mild Cn1c(C(=O)NN2CCOCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000028345239 II Annotated Anodyne CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3c(c2)CCC2=C(C)C(=O)CCN23)cc1 ZINC000028346058 II Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cnccn2)cc1 ZINC000028372474 II Annotated Anodyne O=C(NCc1ccccc1)N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O ZINC000028373134 II Annotated Anodyne Cc1ccc(/N=C(\NC#N)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(Br)c1 ZINC000028373835 II Annotated Mild COc1cc2c(C(=O)OCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028385431 II Annotated Bother CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cncnc2)cc1 ZINC000028391382 II Annotated Anodyne N#Cc1ccc(Cn2cncc2COCc2ccc(C#N)cc2-c2ccc3c(c2)OCO3)nc1 ZINC000028391477 II Annotated Mild COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](Cc3ccsc3)cc1)C2 ZINC000028398063 II Annotated Anodyne COc1cc2c(cc1OC)S[C@@H](C(=O)CCc1cc[n+](Cc3ccsc3)cc1)C2 ZINC000028398068 II Annotated Anodyne CCCC[C@@H](C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028456882 II Annotated Bother CCCC[C@H](C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028456884 II Annotated Bother COc1cc(C(=O)OCCCC2=C(O)C(=O)c3ccccc3C2=O)c(O)c2ccccc12 ZINC000028459738 II Annotated Mild COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@@H]2O)cc(OC)c1 ZINC000028459837 II Annotated Anodyne CC(C)(C)c1ccc(CN(O)/C(S)=N\Cc2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000028462075 II Annotated Mild COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](Cc3ccc(F)cc3)cc1)C2 ZINC000028463253 II Annotated Anodyne COc1cc2c(cc1OC)S[C@@H](C(=O)CCc1cc[n+](Cc3ccc(F)cc3)cc1)C2 ZINC000028463257 II Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@H]3CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028467428 II Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@H]3CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028467433 II Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@H]3CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028467436 II Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@H]3CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028467440 II Annotated Anodyne O=C(CCl)N1N=C(c2ccc(C(F)(F)F)cc2)NN=C1c1ccc(C(F)(F)F)cc1 ZINC000028469566 II Annotated Reactive O=C(O)C[C@@H](c1ccncc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028473165 II Annotated Anodyne O=C(O)C[C@H](c1ccncc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028473168 II Annotated Anodyne O=C(O)C[C@@H](c1ccccn1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474601 II Annotated Anodyne O=C(O)C[C@H](c1ccccn1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474605 II Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)C1CC1 ZINC000028475923 II Annotated Anodyne CCc1nc(-c2ccc(OCC[C@@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)no1 ZINC000028521278 II Annotated Anodyne CCc1nc(-c2ccc(OCC[C@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)no1 ZINC000028521280 II Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)C(Cl)=C(Nc1ccc(Br)cc1)C2=O ZINC000028521356 II Annotated Mild NC(=O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028521358 II Annotated Anodyne Brc1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc2c(c1)OCO2 ZINC000028522833 II Annotated Anodyne CCCn1c(S)nnc1-c1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000028523387 II Annotated Anodyne CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(C)c(C)c4)cc3)C(=O)[C@@H]2C1 ZINC000028523590 II Annotated Anodyne C=C(C)CN1CC[C@]23[C@H]4OC5=C(OC)C=C[C@H](C[C@@H]1[C@]2(O)Cc1c4oc2ccccc12)[C@@H]53 ZINC000028523646 II Annotated Mild C=C(C)CN1CC[C@]23[C@H]4OC5=C(OC)C=C[C@@H](C[C@@H]1[C@]2(O)Cc1c4oc2ccccc12)[C@@H]53 ZINC000028523647 II Annotated Mild CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12 ZINC000028524598 II Annotated Anodyne Cc1ccc2c(c1)C(=O)N(c1ccc(C(=O)OCC(=O)c3ccc(C)c(C)c3)cc1)C2=O ZINC000028524660 II Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000028525581 II Annotated Anodyne CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccccc2Br)c2ccccc12 ZINC000028526036 II Annotated Anodyne CN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12 ZINC000028526591 II Annotated Anodyne COC(=O)c1nc(-c2csc([C@@H](NC(=O)c3ccccc3OC)C(C)C)n2)oc1C ZINC000028529369 II Annotated Anodyne COc1cc(Nc2ccncc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)cc(OC)c1 ZINC000028530008 II Annotated Anodyne COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000028530123 II Annotated Anodyne COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(N(C)c3cccc(OC)c3)n2)c1 ZINC000028530131 II Annotated Anodyne COc1cccc(CN(C)c2nc(-c3cccnc3Oc3cc(OC)cc(OC)c3)n[nH]2)c1 ZINC000028530133 II Annotated Anodyne CN1C(=O)CSc2ccc([C@@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc21 ZINC000028530519 II Annotated Anodyne CN1C(=O)CSc2ccc([C@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc21 ZINC000028530521 II Annotated Anodyne COc1cccc(CNc2nc(-c3cccnc3Oc3cc(OC)cc(OC)c3)n[nH]2)c1 ZINC000028530578 II Annotated Anodyne COc1ccc(CNc2nc(-c3cccnc3Oc3cc(OC)cc(OC)c3)n[nH]2)cc1 ZINC000028530582 II Annotated Anodyne COc1cc(Nc2nc(-c3cccnc3Oc3cc(OC)cc(OC)c3)n[nH]2)cc(OC)c1 ZINC000028564338 II Annotated Anodyne COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc(N(C)C)cc3)n2)c1 ZINC000028564470 II Annotated Anodyne CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)sc2c1[C@H](C)CCC2 ZINC000028565305 II Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)sc2c1[C@@H](C)CCC2 ZINC000028565307 II Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)sc2c1C[C@H](C)CC2 ZINC000028565327 II Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)sc2c1C[C@@H](C)CC2 ZINC000028565329 II Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccccc2)sc2c1CCC(C)(C)C2 ZINC000028565587 II Annotated Mild COc1ccc(C#CC(C)(C)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12 ZINC000028565704 II Annotated Mild COc1ccc(C#CC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028565838 II Annotated Mild COc1ccc(C#CC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12 ZINC000028565941 II Annotated Mild COc1ccc(C#CC(C)(C)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028566001 II Annotated Mild Cc1ccc(C(=O)Nc2ncc(Nc3ncnc4c3NCc3ccccc3O4)cn2)cc1 ZINC000028567499 II Annotated Anodyne CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1CO ZINC000028567958 II Annotated Mild COC(=O)CCc1cnc(C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028568026 II Annotated Anodyne O=C1[C@@H]2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)[C@@H]2N=CN1CC(F)(F)F ZINC000028568463 II Annotated Anodyne O=C1[C@@H]2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)[C@H]2N=CN1CC(F)(F)F ZINC000028568464 II Annotated Anodyne O=C1[C@H]2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)[C@@H]2N=CN1CC(F)(F)F ZINC000028568465 II Annotated Anodyne O=C1[C@H]2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)[C@H]2N=CN1CC(F)(F)F ZINC000028568466 II Annotated Anodyne COC(=O)c1c(OCCN(C)C)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000028569313 II Annotated Clean CC(C)CCCSc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028570072 II Annotated Mild Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(OC(F)(F)Cl)cc2)o1 ZINC000028571359 II Annotated Anodyne Cc1cccc(NCc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000028571449 II Annotated Bother Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2cccc(OC(F)(F)F)c2)o1 ZINC000028571469 II Annotated Anodyne Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000028571629 II Annotated Anodyne O=c1oc(-c2ccc(-n3ccnc3)c(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O ZINC000028603966 II Annotated Clean COc1ccc(CCN2c3cc(Cl)ccc3N(C)S(=O)(=O)c3cccnc32)cc1 ZINC000028637285 II Annotated Anodyne COc1ccc(CCN2c3ccc(Cl)cc3N(C)S(=O)(=O)c3cccnc32)cc1 ZINC000028637401 II Annotated Anodyne COc1ccc(CCN2c3cc(Cl)ccc3S(=O)(=O)N(C)c3cccnc32)cc1 ZINC000028637649 II Annotated Anodyne COc1ccc(CCCN2C=CC=C3C2=Nc2cc(Cl)ccc2S(=O)(=O)N3C)cc1 ZINC000028637912 II Annotated Anodyne CO[C@@H]1c2c(CC=C(C)C)c(C)cc(O)c2C(=O)c2c(O)cc3c(c21)C[C@H](C(C)(C)O)O3 ZINC000028638117 II Annotated Anodyne CO[C@H]1c2c(CC=C(C)C)c(C)cc(O)c2C(=O)c2c(O)cc3c(c21)C[C@H](C(C)(C)O)O3 ZINC000028638120 II Annotated Anodyne CO[C@@H]1c2c(CC=C(C)C)c(C)cc(O)c2C(=O)c2c(O)cc3c(c21)C[C@@H](C(C)(C)O)O3 ZINC000028638123 II Annotated Anodyne CO[C@H]1c2c(CC=C(C)C)c(C)cc(O)c2C(=O)c2c(O)cc3c(c21)C[C@@H](C(C)(C)O)O3 ZINC000028638126 II Annotated Anodyne COc1ccc(CCCN2C=CC=C3C2=Nc2ccc(Cl)cc2S(=O)(=O)N3C)cc1 ZINC000028638240 II Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2ccc(Cl)cc2N(C)S3(=O)=O)cc1 ZINC000028638372 II Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(Cl)ccc2N(C)S3(=O)=O)cc1 ZINC000028638501 II Annotated Anodyne COc1ccc(CN2C=CC=C3C2=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N3C)cc1 ZINC000028638505 II Annotated Anodyne O=S(=O)(/C=C/c1ccc2[nH]ccc2c1)CS(=O)(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000028639937 II Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1 ZINC000028642528 II Annotated Bother CNc1ccc(/C=C/c2cnc(OCCOCCOCCF)c(Br)c2)cc1 ZINC000028644047 II Annotated Anodyne Oc1ccc(/C=C/c2cnc(OCCOCCOCCF)c(Br)c2)cc1 ZINC000028644183 II Annotated Anodyne N#C/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccccc1 ZINC000028647278 II Annotated Mild CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=C([N+](=O)[O-])C(C)(C)O2 ZINC000028705795 II Annotated Bother CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H]([N+](=O)[O-])C(C)(C)O2 ZINC000028705818 II Annotated Bother CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H]([N+](=O)[O-])C(C)(C)O2 ZINC000028705820 II Annotated Bother O=C(O)C[C@@H](c1cccnc1)n1ccc2c(NCc3ccc4c(n3)NCCC4)cccc21 ZINC000028707422 II Annotated Anodyne O=C(O)C[C@H](c1cccnc1)n1ccc2c(NCc3ccc4c(n3)NCCC4)cccc21 ZINC000028707424 II Annotated Anodyne Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)/N=C(\O)NC(C)(C)C)ccc1Cl ZINC000028710511 II Annotated Mild COc1c(NC(=O)c2cc3ccccc3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710594 II Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(CCC(=O)N(C)C)cc2NC3=O)ccc1N ZINC000028710756 II Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2nccc(-c3ccco3)n2)CC1 ZINC000028711650 II Annotated Anodyne COc1ccccc1-n1ccc(=O)c(OCCCCCOc2c(C)occc2=O)c1C ZINC000028712739 II Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3nn4c(Cc5ccc(OC)c(OC)c5)nnc4s3)c2c1 ZINC000028712887 II Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712964 II Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712965 II Annotated Anodyne Cc1ccc([C@H]2[C@@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712966 II Annotated Anodyne Cc1ccc([C@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712967 II Annotated Anodyne O=Cc1ccc(OC[C@@H]2COc3cc(Br)c(Br)cc3O2)cc1 ZINC000028714389 II Annotated Anodyne O=Cc1ccc(OC[C@H]2COc3cc(Br)c(Br)cc3O2)cc1 ZINC000028714390 II Annotated Anodyne N=C(N)SCCOc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl ZINC000028756323 II Annotated Anodyne N=C(N)SCCCOc1oc(=O)c2cc(NC(=O)Cc3ccccc3)ccc2c1Cl ZINC000028757305 II Annotated Anodyne N=C(N)SCCCOc1oc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2c1Cl ZINC000028758697 II Annotated Anodyne N=C(N)SCCOc1oc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2c1Cl ZINC000028758787 II Annotated Anodyne COc1ccc2c(c1)CC[C@H](N(C)CCCCOC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000028766898 II Annotated Anodyne COc1ccc2c(c1)CC[C@@H](N(C)CCCCOC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000028766900 II Annotated Anodyne COc1ccc2c(c1)c(OCc1ccccc1)c(/C(O)=N/c1nn[nH]n1)n2-c1ccccc1 ZINC000028767626 II Annotated Mild Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cc(C[S@@](C)=O)no1 ZINC000028767985 II Annotated Anodyne Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cc(C[S@](C)=O)no1 ZINC000028767987 II Annotated Anodyne CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)n(-c2ccccc2)c2ccc(Br)cc12 ZINC000028769552 II Annotated Mild CC(C)=CC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028771365 II Annotated Mild CC(C)=CC[C@H](OC(=O)Cc1c[nH]c2ccccc12)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028771368 II Annotated Mild CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccc(Br)cc3)=NC2=O)o1 ZINC000028816679 II Annotated Clean COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5ccccc5[nH]3)C4)c2c1 ZINC000028817455 II Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5ccccc5[nH]3)C4)c2c1 ZINC000028817456 II Annotated Anodyne C[C@@](O)(c1[nH]c2cc(C(F)(F)F)c(C#N)cc2c1I)C(F)(F)F ZINC000028818447 II Annotated Mild C[C@](O)(c1[nH]c2cc(C(F)(F)F)c(C#N)cc2c1I)C(F)(F)F ZINC000028818448 II Annotated Mild C[C@@]12CC(C(F)(F)F)=NN1C(N)=N/C2=N\c1ccc(Br)c(C(F)(F)F)c1 ZINC000028821114 II Annotated Mild C[C@]12CC(C(F)(F)F)=NN1C(N)=N/C2=N\c1ccc(Br)c(C(F)(F)F)c1 ZINC000028821116 II Annotated Mild CC(C)(C)c1cc(/C=N/NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(C(C)(C)C)c1O ZINC000028821125 II Annotated Reactive CC[n+]1c(-c2ccccc2)c2cc(NC(=O)CCCC(N)=O)ccc2c2ccc(N)cc21 ZINC000028821299 II Annotated Bother CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(NC(=O)CCCC(N)=O)cc21 ZINC000028821300 II Annotated Bother O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(SC2CCOCC2)nc1 ZINC000028821806 II Annotated Anodyne CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccn3)cc2)c1 ZINC000028822774 II Annotated Anodyne COC(=O)C(=C[C@@]1(C)C[C@H]2C=C[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000028823751 II Annotated Anodyne COC(=O)C(=C[C@]1(C)C[C@H]2C=C[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000028823752 II Annotated Anodyne O=C1N(Cc2nc3ccccc3n2CCCCF)c2ccccc2S(=O)(=O)N1C1CC1 ZINC000028824558 II Annotated Anodyne O=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c2C[C@@H](c2cccc3ccccc23)OC1=O ZINC000028825675 II Annotated Clean O=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c2C[C@H](c2cccc3ccccc23)OC1=O ZINC000028825676 II Annotated Clean COC/C=C(\C)CC[C@]1(C)C2=C(CC[C@H]1C)[C@@]1(C)CC[C@@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1 ZINC000028826874 II Annotated Anodyne COC/C=C(\C)CC[C@]1(C)C2=C(CC[C@H]1C)[C@]1(C)CC[C@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1 ZINC000028826875 II Annotated Anodyne COCCN(C)CCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(C)=O ZINC000028827240 II Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)OC)s1 ZINC000028827351 II Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)OC)s1 ZINC000028827352 II Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1ncc(C(CC)CC)s1 ZINC000028827423 II Annotated Anodyne COc1ccc(COCCSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028863016 II Annotated Anodyne CCCN(C(=O)CC(=O)O)C1=C(C)C[C@H](c2ccccc2)N([C@@H](C)c2ccc(N)cc2)C1=O ZINC000028869630 II Annotated Anodyne CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccccc2)N([C@@H](C)c2ccc(N)cc2)C1=O ZINC000028869632 II Annotated Anodyne c1cc2oc(CCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1 ZINC000028870123 II Annotated Anodyne c1cc2cc(CCCCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1 ZINC000028870134 II Annotated Anodyne COC(=O)[C@@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)[C@@H](C)O ZINC000028878806 II Annotated Anodyne COC(=O)[C@H](CC(=O)O)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878830 II Annotated Anodyne C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O ZINC000028878926 II Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)N(C)CCCN(C)C(C)=O)cc2)c1Cl ZINC000028887773 II Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(OC(=O)N(C)CCCN(C)C(C)=O)cc2)c1Cl ZINC000028887779 II Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(NC(=O)N(C)CCCN(C)C(C)=O)cc2)c1Cl ZINC000028887857 II Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(NC(=O)N(C)CCCN(C)C(C)=O)cc2)c1Cl ZINC000028887860 II Annotated Anodyne CC/C(=N\NC(=N)N)c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000028888887 II Annotated Mild CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(Br)cc1)CC(=O)C[C@@H]2c1ccco1 ZINC000028893293 II Annotated Anodyne O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(-c6ccno6)n5)cc4c23)CCC1 ZINC000028897363 II Annotated Anodyne CCOC(=O)c1cnc2c3c(-c4ccccc4)cc(C(F)(F)F)c(C#N)c3nn2c1O ZINC000028948264 II Annotated Mild CCOC(=O)c1cnc2c3c(C(F)(F)F)cc(-c4ccccc4)c(C#N)c3nn2c1N ZINC000028948306 II Annotated Mild COc1ccc(N2CC(c3ccc([N+](=O)[O-])cc3)=[N+]([O-])[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000028949202 II Annotated Clean COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)C[C@H](C)CC4)cc1OC ZINC000028949337 II Annotated Mild COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)C[C@@H](C)CC4)cc1OC ZINC000028949339 II Annotated Mild CC(=O)NCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C ZINC000028952216 II Annotated Anodyne C=CCNC(=O)[C@]1(N(C(=O)c2cccnc2)C2CCCCC2)CCCc2cc(OC)ccc21 ZINC000028953450 II Annotated Mild C=CCNC(=O)[C@@]1(N(C(=O)c2cccnc2)C2CCCCC2)CCCc2cc(OC)ccc21 ZINC000028953452 II Annotated Mild C=CCNC(=O)[C@]1(N(CC(C)(C)C)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953468 II Annotated Mild C=CCNC(=O)[C@@]1(N(CC(C)(C)C)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953469 II Annotated Mild CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CCC(C)C)ccc31)CN(C1CCCC1)C2 ZINC000028955318 II Annotated Anodyne CCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@]3(C)CC[C@@H]2[C@]1(C)CO ZINC000028956210 II Annotated Anodyne CCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)O[C@H](C4=CCOC4=O)C[C@@H]32)[C@]1(C)CO ZINC000028956212 II Annotated Anodyne CCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H](C4=CCOC4=O)O[C@]3(C)CC[C@@H]2[C@]1(C)CO ZINC000028956215 II Annotated Anodyne CCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)O[C@@H](C4=CCOC4=O)C[C@@H]32)[C@]1(C)CO ZINC000028956217 II Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC(=O)CCCCC)C1=CCOC1=O ZINC000028956275 II Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC(=O)CCCCC)C1=CCOC1=O ZINC000028956277 II Annotated Mild CC(C)(C)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028957597 II Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ncc([N+](=O)[O-])s4)c3c2)cc1 ZINC000028957607 II Annotated Bother O=C1NCCCC[C@H]1N(CCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957781 II Annotated Anodyne COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1 ZINC000028958297 II Annotated Anodyne COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1C ZINC000028958300 II Annotated Anodyne CN(CCOc1ccc(-c2ccc3c(c2)OCCO3)cc1-c1cccs1)CC(=O)O ZINC000028958403 II Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)o1 ZINC000028961932 II Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)o1 ZINC000028961937 II Annotated Bother CC1(C)CC(=O)c2cc(Br)c(N3CCN(c4ccc(F)cc4)CC3)nc2C1 ZINC000028967940 II Annotated Anodyne COC(=O)C1=C(c2ccccn2)N(Cc2ccc(Cl)cc2)[C@@H](c2ccccn2)CC1=O ZINC000028971155 II Annotated Mild COC(=O)C1=C(c2ccccn2)N(Cc2ccc(Cl)cc2)[C@H](c2ccccn2)CC1=O ZINC000028971161 II Annotated Mild COc1c(Cl)c(C)cc2cc(O)c3c(c12)C(=O)c1cc2c(c(O)c1C3=O)[C@@H](C)OC2=O ZINC000028973510 II Annotated Clean in-vivo COc1c(Cl)c(C)cc2cc(O)c3c(c12)C(=O)c1cc2c(c(O)c1C3=O)[C@H](C)OC2=O ZINC000028973515 II Annotated Clean in-vivo CC(C)(C)c1ccc([C@@H]2CCO[P@@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1 ZINC000028974269 II Annotated Anodyne CC(C)(C)c1ccc([C@H]2CCO[P@@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1 ZINC000028974275 II Annotated Anodyne CC(C)(C)c1ccc([C@@H]2CCO[P@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1 ZINC000028974280 II Annotated Anodyne CC(C)(C)c1ccc([C@H]2CCO[P@](=O)(COCCn3cnc4c(N)ncnc43)O2)cc1 ZINC000028974286 II Annotated Anodyne CNCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978131 II Annotated Anodyne CN(C)CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038892 II Annotated Anodyne COc1cc2[nH]c(-c3ccc(F)cc3)c(CCC/C(O)=N/S(C)(=O)=O)c2cc1C#N ZINC000029041430 II Annotated Mild Cc1cc2[nH]c(-c3ccc(F)cc3)c(CCC/C(O)=N/S(=O)(=O)N(C)C)c2cc1C#N ZINC000029041484 II Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccco3)OC(=O)[C@H]3O[C@]321 ZINC000029042388 II Annotated Mild C[C@@](C#N)(COc1ccccc1Br)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029044570 II Annotated Mild C[C@](C#N)(COc1ccccc1Br)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029044573 II Annotated Mild CSCC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F ZINC000029046090 II Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)CCC(F)(F)F)ccc2n1CC1CCOCC1 ZINC000029046555 II Annotated Anodyne O=C(NO)[C@@H]1CSc2c(-c3ccccc3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000029046674 II Annotated Bother O=c1cc(Cc2cccc3ccccc23)c(-c2ccccc2)c2n1[C@H](c1nnn[nH]1)CS2 ZINC000029046810 II Annotated Anodyne Cc1cc(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)ccn1 ZINC000029047920 II Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)c3ccc(CN)cc3)ccc2n1CC1CCOCC1 ZINC000029048150 II Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)c3ccc(C#N)cc3)ccc2n1CC1CCOCC1 ZINC000029048288 II Annotated Mild CC(C)(C)c1nc2cc(S(=O)(=O)c3cccc(C#N)c3)ccc2n1CC1CCOCC1 ZINC000029048299 II Annotated Mild O=C1C(Cl)=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000029050558 II Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@H]2C[C@@H]1CC3 ZINC000029050863 II Annotated Mild in-vitro CCCOc1ccc2c(C)cc(=O)oc2c1CN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000029064112 II Annotated Anodyne CC(C)OCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2F)cc(C(C)(C)C)n1C ZINC000029124429 II Annotated Anodyne COc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(Br)c3)n2C)cc1 ZINC000029124598 II Annotated Anodyne COc1cc2c(cc1CCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125696 II Annotated Bother Cc1ccc(C#Cc2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)cc1 ZINC000029126418 II Annotated Mild Cc1ccccc1C#Cc1ccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)o1 ZINC000029126464 II Annotated Mild NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4Cl)o3)CC1)CO2 ZINC000029126467 II Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](CC2=C(C)CCCC2(C)C)OCC#C)cc1OC ZINC000029126694 II Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](CC2=C(C)CCCC2(C)C)OCC#C)cc1OC ZINC000029126695 II Annotated Mild CCS(=O)(=O)c1ccc(-c2noc([C@H](C)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 ZINC000029126727 II Annotated Anodyne Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000029128395 II Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000029128396 II Annotated Mild CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128451 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128452 II Annotated Anodyne Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2ccsc2)[C@@H](c2ccccc2)C1 ZINC000029129019 II Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2ccsc2)[C@H](c2ccccc2)C1 ZINC000029129020 II Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2cccs2)[C@@H](c2ccccc2)C1 ZINC000029129058 II Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2cccs2)[C@H](c2ccccc2)C1 ZINC000029129059 II Annotated Mild CN(Cc1ccc(F)cc1)C(=O)[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029130137 II Annotated Anodyne O=C1O[C@H]([C@H](O)CNc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000029130201 II Annotated Anodyne CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1 ZINC000029130223 II Annotated Anodyne COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 ZINC000029130260 II Annotated Anodyne COc1ccc(OC[C@@H](O)[C@H]2OC(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000029130262 II Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O ZINC000029209040 II Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)n2C)cc1)OCC ZINC000029224282 II Annotated Anodyne CC(=O)O[C@@H](c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1)C(C)C ZINC000029228654 II Annotated Anodyne CC(=O)O[C@H](c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1)C(C)C ZINC000029228660 II Annotated Anodyne O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccccc1 ZINC000029306598 II Annotated Anodyne O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000029306604 II Annotated Anodyne O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccccc1 ZINC000029306609 II Annotated Anodyne O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccccc1 ZINC000029306613 II Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CSC[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000029308254 II Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CSC[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000029308261 II Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCOC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000029332342 II Annotated Bother O=C(O)C[C@H](O)C[P@@](=O)(O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1 ZINC000029333572 II Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000029341417 II Annotated Clean CC[C@@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(Br)ccc1C#N)c1ccccc1 ZINC000029344642 II Annotated Mild CC[C@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(Br)ccc1C#N)c1ccccc1 ZINC000029344645 II Annotated Mild COc1cccc2c1C(=O)c1c(OC)cc(C(Br)Br)cc1C2=O ZINC000029347808 II Annotated Reactive O=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029394147 II Annotated Anodyne O=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029394150 II Annotated Anodyne O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029397746 II Annotated Anodyne O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029397749 II Annotated Anodyne CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2C=C[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000029400052 II Annotated Mild CC(=O)O[C@H]1/C(=C/C[C@@]2(C)[C@H](C)CC[C@@]3(C)C=CCC[C@@H]32)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029402261 II Annotated Anodyne CC(=O)O[C@H]1/C(=C/C[C@]2(C)[C@@H]3CCC=C[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029402265 II Annotated Anodyne CN(CCCn1c(N)nc2cc(Cl)ccc21)CCCn1c(N)nc2cc(Cl)ccc21 ZINC000029408455 II Annotated Anodyne CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000029410739 II Annotated Clean CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000029410741 II Annotated Clean CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2cc1 ZINC000029412659 II Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2Cc2ccccc2)CN1c1ccccc1 ZINC000029463863 II Annotated Anodyne CC(C)NC(=N)c1ccc2[nH]c(/C=C/c3nc4cc(C(=N)NC(C)C)ccc4[nH]3)nc2c1 ZINC000029466494 II Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 ZINC000029470930 II Annotated Clean COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](O)(/C=C/C1=CCCC1)CF ZINC000029472630 II Annotated Anodyne NC(=O)N1C(=O)/C(=C(\OC(=O)c2cccnc2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029476660 II Annotated Anodyne NC(=O)N1C(=O)/C(=C(\OC(=O)c2ccncc2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029476929 II Annotated Anodyne NC(=O)N1C(=O)/C(=C(\OC(=O)c2ccccn2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029479192 II Annotated Anodyne COc1ccc([C@](O)(c2cc(Br)ccc2OC)[C@@H]2CC3CCN2CC3)cc1 ZINC000029489360 II Annotated Anodyne COc1ccc([C@@](O)(c2cc(Br)ccc2OC)[C@@H]2CC3CCN2CC3)cc1 ZINC000029489363 II Annotated Anodyne COc1ccc([C@](O)(c2cc(Br)ccc2OC)[C@H]2CC3CCN2CC3)cc1 ZINC000029489366 II Annotated Anodyne COc1ccc([C@@](O)(c2cc(Br)ccc2OC)[C@H]2CC3CCN2CC3)cc1 ZINC000029489369 II Annotated Anodyne COc1cccc([C@](O)(c2cc(Br)ccc2OC)[C@@H]2CC3CCN2CC3)c1 ZINC000029489419 II Annotated Anodyne COc1cccc([C@@](O)(c2cc(Br)ccc2OC)[C@@H]2CC3CCN2CC3)c1 ZINC000029489421 II Annotated Anodyne COc1cccc([C@](O)(c2cc(Br)ccc2OC)[C@H]2CC3CCN2CC3)c1 ZINC000029489424 II Annotated Anodyne COc1cccc([C@@](O)(c2cc(Br)ccc2OC)[C@H]2CC3CCN2CC3)c1 ZINC000029489427 II Annotated Anodyne CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc(S(C)(=O)=O)cc1 ZINC000029545551 II Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc(S(C)(=O)=O)cc1 ZINC000029545554 II Annotated Mild CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc([S@@](C)=O)cc1 ZINC000029546497 II Annotated Mild CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc([S@](C)=O)cc1 ZINC000029546500 II Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc([S@@](C)=O)cc1 ZINC000029546503 II Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc([S@](C)=O)cc1 ZINC000029546507 II Annotated Mild COC[C@H](CCOC(=O)c1ccccc1)C[C@@H](O)[C@@]12CCC[C@@H]3C[C@@](OC)(CC[C@@]31C)O2 ZINC000029547983 II Annotated Anodyne O=C(O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1 ZINC000029562021 II Annotated Mild C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1nccc(C(F)(F)F)n1)OCO3 ZINC000029568127 II Annotated Anodyne CCN1CCC[C@@H](Nc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)C1 ZINC000029568256 II Annotated Anodyne CCN1CCC[C@H](Nc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)C1 ZINC000029568260 II Annotated Anodyne COC(=O)c1ccsc1N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000029568853 II Annotated Anodyne O=C(O)C[C@H]1CCCC[C@H]1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O ZINC000029569792 II Annotated Anodyne O=C(O)C[C@@H]1CCCC[C@H]1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O ZINC000029570076 II Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3cc(N4CCCCC4)c(Br)cn3)nc2c1 ZINC000029570844 II Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3cc(N4CCCCC4)c(Br)cn3)nc2c1 ZINC000029570847 II Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/O[C@H]2CCCCO2)[C@]13C(=O)O ZINC000299810107 II Annotated Mild CCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000299811949 II Annotated Mild CCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000299811950 II Annotated Mild CCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]12 ZINC000299811951 II Annotated Mild O=C1C([C@@H]2NCCc3ccccc32)=C(O)C[C@@H](c2c(F)cccc2Cl)[C@H]1n1cncn1 ZINC000299813182 II Annotated Mild CCOC(=O)C[C@@H]1Nc2ccccc2[C@@]12CCc1c([nH]c3ccccc13)[C@H]2C(=O)OCC ZINC000299814428 II Annotated Anodyne CCOC(=O)C[C@@H]1Nc2ccccc2[C@]12CCc1c([nH]c3ccccc13)[C@H]2C(=O)OCC ZINC000299814429 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](c3ccc(OC)c(OC)c3)[C@H]3CC(C)C[C@H]2C3=O)cc1OC ZINC000299814813 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(OC)c3)[C@H]3C[C@H](C)C[C@H]2C3=O)cc1OC ZINC000299814814 II Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1 ZINC000299814991 II Annotated Mild O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000299815671 II Annotated Reactive Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)cc2Cl)C1(C)C ZINC000299815991 II Annotated Mild O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cccc([N+](=O)[O-])c1 ZINC000299816468 II Annotated Reactive COc1ccc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)cc1 ZINC000299818741 II Annotated Mild CC(C)(O)/C=C/C[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(O)ccc3O)cc(O)c2O1 ZINC000299818994 II Annotated Mild CC(C)(O)/C=C/C[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(O)ccc3O)cc(O)c2O1 ZINC000299818998 II Annotated Mild COc1ccc(-c2nc(CCS(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299820579 II Annotated Anodyne N#Cc1ccc2c(Oc3ccc(Cl)cc3OCCn3ccc(O)nc3=O)cccc2c1 ZINC000299820758 II Annotated Mild CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(Cc3ccccc3)n2)c1O ZINC000299820853 II Annotated Anodyne COc1cccc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)c1 ZINC000299821642 II Annotated Mild O=c1[nH]c2ncc3ccc(CNc4ccc5ncccc5c4)nc3c2n1Cc1ccccc1 ZINC000299821889 II Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)cc1 ZINC000299822185 II Annotated Mild CCCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000299822301 II Annotated Anodyne CCCCCc1ccc(C#Cc2ccc(CC(=O)[C@@H]3Cc4cncn4C(=O)N3)cc2)cc1 ZINC000299822374 II Annotated Mild O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1ccncc1 ZINC000299822742 II Annotated Reactive COc1ccc(Br)c2c1OC1=C(C(=O)CCC1)[C@H]2n1nnc2ccccc21 ZINC000299823470 II Annotated Mild COc1ccc(Br)c2c1OC1=C(C(=O)CCC1)[C@@H]2n1nnc2ccccc21 ZINC000299823474 II Annotated Mild Cc1ccc(S(=O)(=O)n2cnc3c(NCc4ccc(Cl)cc4Cl)ncnc32)cc1 ZINC000299823630 II Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](C)CC(=O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299823949 II Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C)CC(=O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299823952 II Annotated Anodyne C=C(C)[C@@H](CC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)OO ZINC000299824221 II Annotated Reactive COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccc(C#N)cc3)nn2)c1CC=C(C)C ZINC000299824442 II Annotated Mild C=CC(=O)NC/C=C/c1cc(OCCc2ccc(F)cc2)cc(O)c1C(=O)OC(C)C ZINC000299824932 II Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c3cccc(Cl)c3n2)c1O ZINC000299826171 II Annotated Anodyne Nc1ncc(-c2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc2)[nH]1 ZINC000299826504 II Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1coc2c([N+](=O)[O-])cc(F)cc2c1=O ZINC000299826611 II Annotated Clean COC(=O)Nc1nc2cc([S@@](=O)c3c[nH]c4ccc(Br)cc34)ccc2[nH]1 ZINC000299826928 II Annotated Anodyne COC(=O)Nc1nc2cc([S@](=O)c3c[nH]c4ccc(Br)cc34)ccc2[nH]1 ZINC000299826936 II Annotated Anodyne O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1cccnc1 ZINC000299827595 II Annotated Reactive N#Cc1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc1 ZINC000299827627 II Annotated Mild CN1CCN(C(=O)c2cnc(O)nc2Nc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000299827721 II Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299828121 II Annotated Mild Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCc2ccc(F)cc2)c(-c2ccco2)c1 ZINC000299828634 II Annotated Anodyne C=CC(C)(C)c1c(OC)cc(O)c2c(=O)c3c(C[C@@H](O)C(=C)C)c(O)c(O)cc3oc12 ZINC000299828891 II Annotated Mild C=CC(C)(C)c1c(OC)cc(O)c2c(=O)c3c(C[C@H](O)C(=C)C)c(O)c(O)cc3oc12 ZINC000299828893 II Annotated Mild COc1ccc(-n2cc(COc3c(/C=C\C(=O)O)ccc(OC)c3CC=C(C)C)nn2)cc1 ZINC000299829224 II Annotated Anodyne O=[N+]([O-])c1cccc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)c1 ZINC000299829666 II Annotated Mild COc1ccc2[nH]c(-c3c(O)nc4sc(Cl)cc4c3N[C@H]3CCCNC3)nc2c1 ZINC000299830743 II Annotated Anodyne C=C(C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(O)ccc3O)cc(O)c2O1 ZINC000299831119 II Annotated Mild C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(O)ccc3O)cc(O)c2O1 ZINC000299831122 II Annotated Mild C=C(C)[C@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(O)ccc3O)cc(O)c2O1 ZINC000299831126 II Annotated Mild C=C(C)[C@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(O)ccc3O)cc(O)c2O1 ZINC000299831131 II Annotated Mild CCCCCc1ccc(C#Cc2ccc(CC(=O)[C@@H]3Cc4cncn4C(=S)N3)cc2)cc1 ZINC000299831134 II Annotated Mild C=C(C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3c(O)cccc3O)cc(O)c2O1 ZINC000299831180 II Annotated Mild C=C(C)[C@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3c(O)cccc3O)cc(O)c2O1 ZINC000299831183 II Annotated Mild C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3c(O)cccc3O)cc(O)c2O1 ZINC000299831187 II Annotated Mild C=C(C)[C@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3c(O)cccc3O)cc(O)c2O1 ZINC000299831193 II Annotated Mild N=C(NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O)NCC1CCC1 ZINC000299831359 II Annotated Anodyne N#Cc1ccc2c(Oc3ccccc3OCCn3ccc(O)nc3=O)cc(Cl)cc2c1 ZINC000299831496 II Annotated Mild COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3cccc(C#N)c3)nn2)c1CC=C(C)C ZINC000299831597 II Annotated Mild C[C@@H](NC(=O)N1CCc2cnc(Nc3cnn(C)c3)nc2C1)c1ccc(Cl)c(Cl)c1 ZINC000299832030 II Annotated Anodyne COc1ccccc1-n1cc(COc2c(/C=C\C(=O)O)ccc(OC)c2CC=C(C)C)nn1 ZINC000299832288 II Annotated Anodyne COc1ccc(-c2nc(CS(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299832657 II Annotated Anodyne CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)c1nn[nH]n1 ZINC000299833219 II Annotated Anodyne CCOC(=O)c1c(N)sc(/N=C/c2ccc(Br)cc2)c1C(=O)OCC ZINC000299833580 II Annotated Mild COc1cc2nc(Sc3sc(N)nc3C)n(-c3ccc(C)cc3)c(=O)c2cc1OC ZINC000299833990 II Annotated Anodyne COc1cccc(-n2cc(COc3c(/C=C\C(=O)O)ccc(OC)c3CC=C(C)C)nn2)c1 ZINC000299834221 II Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)[C@@H]2O[C@@H]2C(=O)[C@H]13 ZINC000299835190 II Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1OC ZINC000299835313 II Annotated Bother COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1OC ZINC000299835316 II Annotated Bother C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCN1CCOCC1 ZINC000299836440 II Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](O)CCC(=O)N[C@H]13 ZINC000299836637 II Annotated Anodyne C/C=C/C(=O)NC/C=C/c1cc(OCCc2ccc(F)cc2)cc(O)c1C(=O)OC(C)C ZINC000299836793 II Annotated Anodyne c1cc2cc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)cc3)[nH]c2cc1C1=NCCN1 ZINC000299836924 II Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc([C@H]3CCC[C@H]3C)n2)c1O ZINC000299837357 II Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc([C@@H]3CCC[C@@H]3C)n2)c1O ZINC000299837361 II Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc([C@H]3CCC[C@@H]3C)n2)c1O ZINC000299837366 II Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc([C@@H]3CCC[C@H]3C)n2)c1O ZINC000299837371 II Annotated Anodyne N#Cc1ccc2c(Oc3ccc(F)cc3OCCn3ccc(O)nc3=O)cc(F)cc2c1 ZINC000299837587 II Annotated Mild COc1ccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)c(Cl)c1OC ZINC000299837857 II Annotated Anodyne O=C(OCc1ccccc1)c1cn(C2CC2)c2ccc(I)cc2c1=O ZINC000299838507 II Annotated Anodyne COC(=O)c1ccc(CCNCC(=O)N2CCc3ccccc3[C@H]2C2CCCCC2)cc1 ZINC000299838616 II Annotated Anodyne COC(=O)c1ccc(CCNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)cc1 ZINC000299838618 II Annotated Anodyne CCCCCn1c(=O)c2c3c(cnc2n(CCCCC)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299839097 II Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1 ZINC000299840865 II Annotated Bother COc1ccc(OC)c([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1 ZINC000299840866 II Annotated Bother FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1 ZINC000299841016 II Annotated Mild Cc1c(O)nc(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)nc1C1CCCC1 ZINC000299841155 II Annotated Anodyne COc1cc2c(cc1OC)C[N@+](C)(CCCCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844656 II Annotated Bother COc1cc2c(cc1OC)C[N@@+](C)(CCCCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844657 II Annotated Bother COc1cccc(CNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N[C@H]2C[C@H]3CC[C@H]2C3)c1 ZINC000299844871 II Annotated Mild COc1cccc(CNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N[C@@H]2C[C@H]3CC[C@H]2C3)c1 ZINC000299844872 II Annotated Mild COc1cccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N[C@H]2C[C@H]3CC[C@H]2C3)c1 ZINC000299844873 II Annotated Mild COc1cccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N[C@@H]2C[C@H]3CC[C@H]2C3)c1 ZINC000299844874 II Annotated Mild C=C(C)COC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC(=C)C)[C@H]1c1ccc(O)cc1 ZINC000299845241 II Annotated Mild C[C@H](NC(=O)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1)c1ccccc1 ZINC000299845261 II Annotated Anodyne O=C(OC1CCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC2CCC2)[C@H]1c1ccc(O)cc1 ZINC000299845278 II Annotated Anodyne O=C(OCC1CC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC2CC2)[C@H]1c1ccc(O)cc1 ZINC000299845315 II Annotated Anodyne S=C1NN[C@@]2(N1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000299846409 II Annotated Anodyne S=C1NNC2(N1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000299846411 II Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@H](C)c2ccc(C)cc2)CN1C ZINC000299846691 II Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299846774 II Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299846775 II Annotated Mild CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@@H](Cl)C=C1)[C@H]([C@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 ZINC000299847616 II Annotated Reactive CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@H](Cl)C=C1)[C@H]([C@@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 ZINC000299847618 II Annotated Reactive CC1(C)C(=O)[C@H]2O[C@H]2[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000299848195 II Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849931 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849932 II Annotated Anodyne C[C@@H]1CN[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@]2(O)C1 ZINC000299849951 II Annotated Anodyne C[C@H]1CN[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@]2(O)C1 ZINC000299849953 II Annotated Anodyne C[C@H]1CN[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@]2(O)C1 ZINC000299849956 II Annotated Anodyne C[C@@H]1CN[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@]2(O)C1 ZINC000299849961 II Annotated Anodyne O=C1NC2(C(=O)N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc12 ZINC000299850587 II Annotated Anodyne CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)n1 ZINC000299851064 II Annotated Bother CC(C)Cc1c(Cl)sc2nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 ZINC000299851711 II Annotated Anodyne O=C(c1nc2sc3cc(Cl)ccc3n2c1Cl)N1CCN(C2CCCC2)C(=O)C1 ZINC000299852297 II Annotated Anodyne O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000299852525 II Annotated Anodyne O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(C(F)(F)F)cc3)c2N1 ZINC000299852540 II Annotated Anodyne O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(C(F)(F)F)cc3)c2N1 ZINC000299852541 II Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]3[C@H]1OC(=O)CC)C2(C)C ZINC000299852924 II Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000299852942 II Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)[C@@]1(O)c3ccccc3C(=O)[C@@]21O ZINC000299855850 II Annotated Mild C#CC(=O)O[C@@H]1C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2C1 ZINC000299855891 II Annotated Reactive OCC#Cc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299855972 II Annotated Mild COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2C)cc1OC ZINC000299856786 II Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccc(C)s5)c(=O)n4n3)ccc2c1 ZINC000299856853 II Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccc(C)s5)c(=O)n4n3)ccc2c1 ZINC000299856854 II Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@@H](Br)C34OCCO4)[C@H](O)[C@H]12 ZINC000299857605 II Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@H](Br)C34OCCO4)[C@@H](O)[C@H]12 ZINC000299857607 II Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@H](Br)C34OCCO4)[C@H](O)[C@H]12 ZINC000299857609 II Annotated Reactive COc1cccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1 ZINC000299858098 II Annotated Anodyne O=c1cc(CO)oc([C@H]2C=C(c3ccccc3Br)Oc3ccccc32)c1O ZINC000299858202 II Annotated Anodyne O=c1cc(CO)oc([C@@H]2C=C(c3ccccc3Br)Oc3ccccc32)c1O ZINC000299858203 II Annotated Anodyne Nc1ncnc2c1N=C(c1ccc3c(c1)OCO3)C[C@H](c1sc(Cl)nc1Cl)N2 ZINC000299861024 II Annotated Anodyne Nc1ncnc2c1N=C(c1ccc3c(c1)OCO3)C[C@@H](c1sc(Cl)nc1Cl)N2 ZINC000299861025 II Annotated Anodyne Cc1c(CC(=O)NC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000299861295 II Annotated Clean O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(C3CCOCC3)cc1)CC2 ZINC000299862195 II Annotated Anodyne COc1cc2nc(/C=C/c3ccc(Cl)cc3)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299862498 II Annotated Anodyne Cc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299862905 II Annotated Bother COc1ccc2c(c1)/C(=C\C(=O)Nc1ccc3ncccc3c1)C(=O)N2Cc1cc(C)no1 ZINC000299862977 II Annotated Anodyne Brc1ccc2ncccc2c1N1C[C@@H](Br)[C@H](Br)C1 ZINC000299863032 II Annotated Reactive COc1ccc(/C=C/c2nc3cc(Cl)ccc3c(=O)n2CCCN(C)C)cc1OC ZINC000299863468 II Annotated Anodyne Cc1ccc(-c2cnc(Cl)c(Cn3cc(/C=N/NC(=O)c4ccc(F)cc4)nn3)c2)cc1 ZINC000299864263 II Annotated Reactive CC(C)c1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c(=O)c2c1 ZINC000299864612 II Annotated Mild O=C(CN1CCCCC1)N1CCN(C2(c3ccc(F)cc3)C3CC4CC(C3)CC2C4)CC1 ZINC000299864680 II Annotated Anodyne C#CCCCN1CCc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc21)CC(C)(C)CC3=O ZINC000299864831 II Annotated Mild COc1cc2c([C@@H]3c4ccccc4C=CN3S(=O)(=O)Cc3ccccc3)c[nH]c2cn1 ZINC000299864998 II Annotated Anodyne COc1cc2c([C@H]3c4ccccc4C=CN3S(=O)(=O)Cc3ccccc3)c[nH]c2cn1 ZINC000299865002 II Annotated Anodyne O=c1cc(CO)oc([C@H]2C=C(c3ccccc3)Oc3ccc(Br)cc32)c1O ZINC000299865904 II Annotated Anodyne O=c1cc(CO)oc([C@@H]2C=C(c3ccccc3)Oc3ccc(Br)cc32)c1O ZINC000299865905 II Annotated Anodyne COc1nccc2c([C@H]3c4ccccc4C=CN3S(=O)(=O)Cc3ccccc3)c[nH]c12 ZINC000299866092 II Annotated Anodyne COc1nccc2c([C@@H]3c4ccccc4C=CN3S(=O)(=O)Cc3ccccc3)c[nH]c12 ZINC000299866094 II Annotated Anodyne Cc1cccc(CCN2CCN(CCCC[C@H]3CNC(=N)N3CC3CCCCC3)C2=N)c1 ZINC000299866239 II Annotated Anodyne Cc1ccccc1Nc1ccc(=O)n(Cc2ccccc2NC(=O)OCCCCN(C)C)n1 ZINC000299866700 II Annotated Anodyne O=c1c2ccccc2n(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)c2ccc(Cl)cc12 ZINC000299866860 II Annotated Bother COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5sccc5C)c(=O)n4n3)ccc2c1 ZINC000299867310 II Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5sccc5C)c(=O)n4n3)ccc2c1 ZINC000299867311 II Annotated Anodyne CCCCCCCN1C(=N)NC[C@@H]1CCCCN1CCN(CCc2cccc(C)c2)C1=N ZINC000299867602 II Annotated Mild O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(CCc3ccc(Cl)cc3)c2N1 ZINC000299868643 II Annotated Anodyne O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(CCc3ccc(Cl)cc3)c2N1 ZINC000299868644 II Annotated Anodyne Brc1c(N2C[C@@H](Br)[C@H](Br)C2)cnc2ccccc12 ZINC000299869056 II Annotated Reactive O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO ZINC000299869516 II Annotated Bother Cc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299870970 II Annotated Bother COc1ccc(C2=Nc3c(N)nc(N)nc3N[C@H](c3sc(Cl)nc3Cl)C2)cc1 ZINC000299871404 II Annotated Anodyne COc1ccc(C2=Nc3c(N)nc(N)nc3N[C@@H](c3sc(Cl)nc3Cl)C2)cc1 ZINC000299871405 II Annotated Anodyne CC1(C)Cc2c(C#N)c(SCCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1 ZINC000299871639 II Annotated Mild Cc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCCN(C)C)c3nc12 ZINC000299871748 II Annotated Bother CC(C)c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1 ZINC000299871934 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299873606 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299873607 II Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCOCC2)c1 ZINC000299873636 II Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCOCC2)c1 ZINC000299873637 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000299873832 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000299873833 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299874125 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299874126 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299874570 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299874736 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299874737 II Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874764 II Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874765 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299874963 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299874964 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299875236 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299875237 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299875238 II Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299875263 II Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299875264 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299875290 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299875291 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299875292 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299875293 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299875586 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299875587 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000299875811 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299875812 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299875813 II Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299875897 II Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299875898 II Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299875899 II Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299875900 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299875948 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299875949 II Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299876067 II Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299876068 II Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299876069 II Annotated Anodyne CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299876070 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876136 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876137 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876390 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876391 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000299876503 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299877451 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299877452 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299877507 II Annotated Anodyne COCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299877769 II Annotated Anodyne COCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299877770 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299878211 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299878362 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@H](O)CC ZINC000299878363 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299878364 II Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)cc1 ZINC000299878731 II Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)cc1 ZINC000299878732 II Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)cc1 ZINC000299878733 II Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)cc1 ZINC000299878734 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000299878778 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccs1 ZINC000299878779 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccs1 ZINC000299878780 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccs1 ZINC000299878781 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878814 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878815 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878923 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878924 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299879170 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299879171 II Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000299879317 II Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000299879318 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000299879524 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000299879525 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299879588 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299879589 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000299879673 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880030 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880031 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299880660 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299880661 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299880662 II 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)cc1 ZINC000299880754 II 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)cc1 ZINC000299880755 II 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)cc1 ZINC000299880756 II 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)cc1 ZINC000299880757 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299880772 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299880773 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299880774 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299880775 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299881071 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299881072 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299881073 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299881387 II Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299881464 II Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299881465 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299881667 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000299881824 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000299881825 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000299881826 II Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000299881827 II Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299881989 II Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299881990 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299882276 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299882277 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299882278 II Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000299882354 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299882443 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299882444 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299882445 II Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(Cc5ccc(F)cc5)nc4n3)C[C@H]2C)c1 ZINC000299882855 II Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(Cc5ccccc5)nc4n3)C[C@H]2C)c1 ZINC000299883140 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883551 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883552 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299883695 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299883696 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299883743 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299883744 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000299883907 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299883908 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299883909 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883982 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883983 II 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(N(C)C)cc1 ZINC000299884007 II 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(N(C)C)cc1 ZINC000299884008 II 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(N(C)C)cc1 ZINC000299884009 II 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(N(C)C)cc1 ZINC000299884010 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299884339 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299884340 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299884451 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299884452 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299884469 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299884470 II Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299884783 II Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299884784 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299884986 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299884987 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299884988 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000299885225 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000299885226 II Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299885281 II Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299885282 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885335 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885336 II Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000299886291 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299886458 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299886459 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299886470 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299886471 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299886472 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000299886818 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000299886819 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299887261 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299887730 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299887731 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299887798 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299887799 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299887800 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299887801 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC[C@H]1C)[C@H](c1cccs1)N(C)C2=O ZINC000299888038 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC[C@@H]1C)[C@H](c1cccs1)N(C)C2=O ZINC000299888039 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299888061 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299888062 II Annotated Anodyne CN(C(=O)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000003020353 II Annotated Bother CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(SCc4ccccc4C)nnc3c2c1 ZINC000003021633 II Annotated Anodyne Nc1c(C(=O)NCCC2=CCCCC2)sc2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000003048585 II Annotated Anodyne aggregator COc1ccc(N2CC(=O)C(c3nc(-c4ccc(Br)cc4)cs3)=C2N)cc1 ZINC000003178398 II Annotated Mild COc1c([C@H]2COc3cc4c(cc3C2=O)C[C@@H](O)C(C)(C)O4)ccc2c1CCC(C)(C)O2 ZINC000003197604 II Annotated Anodyne in-vitro COc1c([C@@H]2COc3cc4c(cc3C2=O)C[C@@H](O)C(C)(C)O4)ccc2c1CCC(C)(C)O2 ZINC000003197606 II Annotated Anodyne in-vitro COc1c([C@H]2COc3cc4c(cc3C2=O)C[C@H](O)C(C)(C)O4)ccc2c1CCC(C)(C)O2 ZINC000003197608 II Annotated Anodyne in-vitro COc1c([C@@H]2COc3cc4c(cc3C2=O)C[C@H](O)C(C)(C)O4)ccc2c1CCC(C)(C)O2 ZINC000003197610 II Annotated Anodyne in-vitro Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc2ccccc2cc1O ZINC000003275215 II Annotated Reactive CCOCCCn1c(=O)c(NC(=O)c2ccc(OCC)cc2)c2n(c1=S)CCCCC2 ZINC000003357157 II Annotated Anodyne CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)c2ccc(C)nc21 ZINC000003366409 II Annotated Clean Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 ZINC000003451890 II Annotated Reactive Cc1cc(C)nc(S[C@@]2(C(F)(F)Br)N[C@H](Cc3ccccc3)CO2)n1 ZINC000301054955 II Annotated Anodyne Cc1cc(C)nc(S[C@]2(C(F)(F)Br)N[C@H](Cc3ccccc3)CO2)n1 ZINC000301054956 II Annotated Anodyne CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C/[C@@H](CCC(=O)OC)OC(C)=O ZINC000030728239 II Annotated Mild in-vitro CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@@H](CCC(=O)OC)OC(C)=O ZINC000030728244 II Annotated Mild in-vitro CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000306146207 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H]([C@@H]12)[C@H]1C[C@H]1[C@@]31CCC(=O)O1 ZINC000306146208 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H]([C@@H]12)[C@@H]1C[C@H]1[C@@]31CCC(=O)O1 ZINC000306146209 II Annotated Mild CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H]([C@@H]12)[C@H]1C[C@@H]1[C@@]31CCC(=O)O1 ZINC000306146210 II Annotated Mild CC(=O)OC/C=C(\CO)CC/C=C(\C)CC/C=C(\CC/C=C(\C)COC(C)=O)C(=O)O ZINC000031158555 II Annotated Anodyne CCOC(=O)[C@]12Oc3ccc(Cl)cc3[C@H]1[C@H]1c3cc(Cl)ccc3O[C@]12C(=O)OCC ZINC000031519996 II Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@H]1[C@@H]1OC(C)(C)O[C@]13CC(=O)C(C)=C([C@H]1OC(C)(C)O[C@@H]12)C3(C)C ZINC000031852814 II Annotated Mild COc1cc(/N=N/N(C)C)c([C@H](C)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC ZINC000031871235 II Annotated Clean CC[N+]1(C)CC[C@@](O)(/C=C/c2ccc(OC)cc2)[C@@H](C(=O)/C=C/c2ccc(OC)cc2)C1 ZINC000031895287 II Annotated Mild c1ccn2c(N3CCCC3)[n+]3c4ccccc4n4c(N5CCCC5)[n+]5ccccc5c4c3c2c1 ZINC000031897998 II Annotated Bother COc1cc(/C=c2\c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc(OC)c1OC ZINC000031900013 II Annotated Anodyne CC(C)=C[C@H](C)[C@@H]([C@@H](O)CCC1(c2ccoc2)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900653 II Annotated Anodyne CC(C)=C[C@@H](C)[C@@H]([C@@H](O)CCC1(c2ccoc2)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900656 II Annotated Anodyne CC(C)=C[C@H](C)[C@H]([C@@H](O)CCC1(c2ccoc2)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900661 II Annotated Anodyne CC(C)=C[C@@H](C)[C@H]([C@@H](O)CCC1(c2ccoc2)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900663 II Annotated Anodyne CCc1nn(CN2CCOCC2)c(=S)n1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000031905546 II Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3ccco3)C2)cc1 ZINC000031905899 II Annotated Bother NNC(=O)c1ccccc1Nc1nc(-c2cccs2)nc2ccc(Br)cc12 ZINC000031910099 II Annotated Reactive CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CNC5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C ZINC000032066897 II Annotated Anodyne CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@@H]3O2 ZINC000032296187 II Annotated Reactive CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@@H](O)[C@@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000032303248 II Annotated Anodyne Fc1ccccc1N1CCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000032303489 II Annotated Anodyne Fc1ccccc1N1CCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000032303490 II Annotated Anodyne Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000032690931 II Annotated Reactive O=S(=O)(c1cccs1)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 ZINC000033170891 II Annotated Anodyne CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccs1 ZINC000033323471 II Annotated Reactive COc1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C ZINC000033333547 II Annotated Reactive O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(O)ccc1Br ZINC000033336410 II Annotated Reactive CCOC(=O)c1c2ccc(OCC(=O)N/N=C\c3ccc(C)cc3)cc2n2ccccc12 ZINC000033337086 II Annotated Reactive S=C(N/N=C(\c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000033493224 II Annotated Mild Cc1cc2c(cc1Cl)SC(C(=O)c1ccc(Br)cc1)=NS2(=O)=O ZINC000033503571 II Annotated Anodyne C/C(=N/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000033661491 II Annotated Mild O=C(O)c1cn(CCO)c2cc(Cl)c(Cc3cccc(Cl)c3Cl)cc2c1=O ZINC000033818005 II Annotated Anodyne CCC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)cc21 ZINC000033818079 II Annotated Anodyne CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@H](CCC(=O)OC)OC(C)=O ZINC000033820104 II Annotated Mild CC/C=C\C/C=C\C[C@@]1(O)C=C(Cl)C(=O)[C@@H]1[C@H](/C=C\CCCC(=O)OC)OC(C)=O ZINC000033820519 II Annotated Mild CCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)[C@@H]1[C@H](/C=C\CCCC(=O)OC)OC(C)=O ZINC000033820520 II Annotated Mild CC(C)(C)NC[C@H](O)c1sc(Br)c(Br)c1Br ZINC000033829504 II Annotated Anodyne CC(C)(C)NC[C@@H](O)c1sc(Br)c(Br)c1Br ZINC000033829505 II Annotated Anodyne C=C1O[C@H]([C@H]2c3c(c(C)c4c(c3OC)OCO4)CCN2C)c2ccc(OC)c(OC)c21 ZINC000033831491 II Annotated Anodyne in-vitro biogenic C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C\C)[C@@H]1[C@H]2OC(=O)/C(C)=C\C ZINC000033831622 II Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C(C)=C/C ZINC000033832787 II Annotated Anodyne C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)/C(C)=C/C ZINC000033832790 II Annotated Anodyne in-vitro biogenic O=[N+]([O-])c1cccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000033921590 II Annotated Mild O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3cc(N4CCCC4)nc(N4CCCC4)n3)o2)c1 ZINC000033921992 II Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cccc(/C=N\Nc4ccccc4)c3oc2c1 ZINC000033960965 II Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccc(/C=N/Nc4ccccc4)cc3oc2c1 ZINC000033960996 II Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(/C=N/Nc4ccccc4)ccc3oc2c1 ZINC000033961002 II Annotated Mild O=C(c1cc2ccccc2o1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000033965493 II Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@@H]1C[C@H](O)[C@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000033965535 II Annotated Anodyne CC[C@@H](/C=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O ZINC000033970724 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C ZINC000033985291 II Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)/C(C)=C\C ZINC000033985292 II Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)/C(C)=C\C ZINC000033985293 II Annotated Anodyne in-man endogenous Cc1cc(-c2ccco2)n(-c2ccc3c(c2)nc(COc2ccc(C(=N)N)cc2)n3C)n1 ZINC000033989348 II Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@H](O)[C@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000034047588 II Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N(C)C)cc2NC3=O)ccc1[N+](=O)[O-] ZINC000034072671 II Annotated Bother COc1ccc(-c2nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000034077345 II Annotated Anodyne Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCCN3CCOCC3)c2n1 ZINC000034121906 II Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000034131382 II Annotated Anodyne CCN(CC)c1ccc(OS(=O)(=O)c2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000034144188 II Annotated Clean O=C(Nc1ccc(Br)cc1)[C@H]1C(=O)N[C@]23CCCC[C@H]2[C@H]1c1ccccc1O3 ZINC000034145231 II Annotated Anodyne O=C(Nc1ccc(Br)cc1)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000034145232 II Annotated Anodyne Cc1cc2c(N3CCN(CCCCN4C(=O)SC5(CCCC5)C4=O)CC3)nccc2o1 ZINC000034186867 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=CC[C@H]2C(C)(C)[C@H]1OC(=O)/C(C)=C\C)CO[C@H]3O ZINC000034207505 II Annotated Anodyne O=c1c2c(Cl)cccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1F ZINC000034241074 II Annotated Anodyne CCc1c(CCNCCCCCCNCCc2ccc([N+](=O)[O-])cc2)ccc(O)c1O ZINC000034276430 II Annotated Clean COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc(Br)c1OC ZINC000034392445 II Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc(Br)c1OC ZINC000034392446 II Annotated Reactive C/C(=C\Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)CC[C@H](O)C(C)(C)O ZINC000034479228 II Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000034479353 II Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)[C@]12C(=O)Nc1ccccc12 ZINC000034479355 II Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000034518661 II Annotated Mild C[C@@H](/C=C1\C(=O)N[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000034537915 II Annotated Anodyne COc1ccc([C@@H](OC(=O)COc2ccc(Cl)cc2Cl)[P@@](=O)(O)OC)cc1 ZINC000034539767 II Annotated Anodyne COc1ccc([C@H](OC(=O)COc2ccc(Cl)cc2Cl)[P@@](=O)(O)OC)cc1 ZINC000034539770 II Annotated Anodyne CC(=O)N(C=O)CCCN(CCCN1CCCC/C=C\CCCCCCCC1)C(C)=O ZINC000034556535 II Annotated Anodyne CC(=O)OC[C@@H](C)c1c(O)c(OC(C)=O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C ZINC000034609642 II Annotated Mild in-vitro biogenic CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(C(=O)O)c2)o1 ZINC000034636637 II Annotated Clean in-vivo C[C@H](O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1 ZINC000034642398 II Annotated Anodyne C[C@@H](O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1 ZINC000034642399 II Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](Cn2ccc3c(C#N)cccc32)C(F)(F)F)c(C)c1 ZINC000034642609 II Annotated Mild Cc1cc(C)c(S(=O)(=O)N[C@H](Cn2ccc3c(C#N)cccc32)C(F)(F)F)c(C)c1 ZINC000034642610 II Annotated Mild CCN(C)C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000034661674 II Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000034662138 II Annotated Anodyne C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1Cl ZINC000034771940 II Annotated Mild COc1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 ZINC000034801518 II Annotated Bother COc1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 ZINC000034801519 II Annotated Bother C[N+]1(CCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802141 II Annotated Bother C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802142 II Annotated Bother CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C ZINC000034802464 II Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C ZINC000034802465 II Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccc(OCc4ccccc4)cc3)c(CC3CCC3)c(=O)n2n1 ZINC000034820363 II Annotated Anodyne COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(N)cc3)c2cc1OC ZINC000034841569 II Annotated Clean CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1cc(Cl)ccc1OC ZINC000034858247 II Annotated Anodyne COc1ccc2nc(N3CCC[C@H](/C(O)=N/CCc4ccc(OC)c(OC)c4)C3)[nH]c2c1 ZINC000034860648 II Annotated Mild COc1ccc2nc(N3CCC[C@@H](/C(O)=N/CCc4ccc(OC)c(OC)c4)C3)[nH]c2c1 ZINC000034860650 II Annotated Mild N#CCCN(C(=O)COC(=O)COc1ccccc1Cc1ccccc1)c1ccccc1 ZINC000034868161 II Annotated Mild COc1cc(OC)c(OC)cc1CCc1cn(Cc2ccccc2)c2nc(N)nc(C)c12 ZINC000034875810 II Annotated Anodyne CS(=O)(=O)c1ccc(Cl)c(-c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)c1 ZINC000034891899 II Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1OC ZINC000034894444 II Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1OC ZINC000034894445 II Annotated Reactive COc1ccc([C@H]2/C=C/CN(C(=O)C3CCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961573 II Annotated Anodyne COc1ccc([C@H]2/C=C/CN(Cc3ccncc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961616 II Annotated Anodyne Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(C(O)(O)C(F)(F)F)c1 ZINC000003581327 II Annotated Anodyne in-vivo CCN(CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)CS2 ZINC000003638693 II Annotated Anodyne NCCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000003639579 II Annotated Anodyne CCc1ccc(N(C(=O)c2ccco2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000003648354 II Annotated Anodyne CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003654317 II Annotated Bother O=C1Nc2ccccc2[C@@](O)(C(=O)NCc2ccco2)N1c1ccc(Cl)c(Cl)c1 ZINC000003665853 II Annotated Anodyne O=C1Nc2ccccc2[C@](O)(C(=O)NCc2ccco2)N1c1ccc(Cl)c(Cl)c1 ZINC000003665854 II Annotated Anodyne CC[C@@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670586 II Annotated Anodyne CC[C@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670587 II Annotated Anodyne CC[C@@H](C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670588 II Annotated Anodyne CC[C@H](C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670589 II Annotated Anodyne O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(Nc4ccc5c(c4)OCO5)c1c23 ZINC000003741997 II Annotated Clean CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)C(C)(C)C)=NN1 ZINC000003786530 II Annotated Anodyne COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)O)N(C(=O)N(C)c1ccccc1)C2 ZINC000003799222 II Annotated Anodyne COc1cc([C@H]2c3c(cc4c(c3OC)OCO4)C[C@H]3CSC[C@H]23)cc(OC)c1OC ZINC000003810575 II Annotated Anodyne O=C(O)COc1cccc2c1CC[C@@](O)(COC(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000003813584 II Annotated Anodyne O=C(O)c1ccc(Br)c(Cn2c(C(=O)O)c(CCS)c3ccccc32)c1 ZINC000003816716 II Annotated Mild CC(=O)c1ccc(C)cc1N[C@@H](C(N)=O)c1c(Br)cccc1Br ZINC000003832001 II Annotated Anodyne CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21 ZINC000003943554 II Annotated Anodyne CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21 ZINC000003943557 II Annotated Anodyne N/C(=N\Cc1ccco1)c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)O)CC3)cc1 ZINC000003951492 II Annotated Mild O=C1C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000003953340 II Annotated Clean C[C@@H]([C@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000003955100 II Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000003955101 II Annotated Anodyne COCC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003956114 II Annotated Anodyne CCCS(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC)cc3)cc2)c(C)o1 ZINC000003962733 II Annotated Anodyne COc1ccc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)cn1 ZINC000003963656 II Annotated Mild COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1OC ZINC000003990441 II Annotated Reactive CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CNC5=N)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C ZINC000003992425 II Annotated Anodyne Cc1cc2c(cc1Cl)SC1=N[C@H](CSCc3ccccc3)CN1S2(=O)=O ZINC000035010351 II Annotated Anodyne Cc1cc2c(cc1Cl)SC1=N[C@@H](CSCc3ccccc3)CN1S2(=O)=O ZINC000035010353 II Annotated Anodyne COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)O)c3c(=O)c2c2c1CCC(C)(C)O2 ZINC000035049317 II Annotated Bother COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C)CC[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@@H]1C2 ZINC000035051090 II Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(OCCN1CCNC1=O)c1ccc(C(C)(C)C)cc1 ZINC000035064282 II Annotated Anodyne CCCN1C(=O)c2ccccc2[C@@]1(OCCN1CCNC1=O)c1ccc(C(C)(C)C)cc1 ZINC000035064285 II Annotated Anodyne C=C1C[C@@H](OC(C)=O)[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000035070519 II Annotated Mild CC(=O)O[C@H](C[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 ZINC000035086322 II Annotated Anodyne CCOC(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 ZINC000035087216 II Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(F)cc2F)c(Br)nc2ncnn12)C(F)(F)F ZINC000035090939 II Annotated Anodyne CCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc12 ZINC000035241732 II Annotated Anodyne O=c1oc(-c2ccc(C(F)(F)F)cc2-n2ccnc2)nn1Cc1cc(Cl)ccc1O ZINC000035242381 II Annotated Clean CCN(C)c1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl ZINC000035242433 II Annotated Clean CC1(C)OC2=C(C[C@H]1OC(=O)c1ccc(Br)cc1)C(=O)C(=O)c1ccccc12 ZINC000035246723 II Annotated Mild CC1(C)OC2=C(C[C@@H]1OC(=O)c1ccc(Br)cc1)C(=O)C(=O)c1ccccc12 ZINC000035246724 II Annotated Mild CC(=O)OC1=C(C[C@H](Br)C(C)(C)Br)C(=O)c2ccccc2C1=O ZINC000035246731 II Annotated Reactive CC(=O)OC1=C(C[C@@H](Br)C(C)(C)Br)C(=O)c2ccccc2C1=O ZINC000035246733 II Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1OC[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@H]1O ZINC000035261404 II Annotated Anodyne CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 ZINC000035261422 II Annotated Anodyne O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCCc2cc(O)c(O)c(O)c2)s1 ZINC000035274879 II Annotated Clean O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCCc2ccc(O)c(O)c2O)s1 ZINC000035276385 II Annotated Clean COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C2)[C@H](C)CC[C@H]2C(C)(C)OC(=O)C=C[C@@]21C ZINC000035457294 II Annotated Anodyne COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)OC(=O)C=C[C@@]21C ZINC000035457298 II Annotated Anodyne COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C2)[C@@H](C)CC[C@H]2C(C)(C)OC(=O)C=C[C@@]21C ZINC000035457301 II Annotated Anodyne COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@]1(C2)[C@@H](C)CC[C@H]2C(C)(C)OC(=O)C=C[C@@]21C ZINC000035457304 II Annotated Anodyne COCCNc1ccc2c3c(cccc13)C(=O)N(c1cccc(Br)c1)C2=O ZINC000035827276 II Annotated Anodyne CC(C)N(C)C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000035827708 II Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000035827871 II 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[C@H]1OC(=O)/C(C)=C\C ZINC000035849507 II Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C[C@H]1OC(=O)/C(C)=C\C ZINC000035849509 II Annotated Mild C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C[C@H]1OC(=O)/C(C)=C\C ZINC000035849511 II Annotated Mild CN1CCN(c2nccc(N(C(=O)Nc3ccccc3Cl)c3ccc(F)cc3)n2)CC1 ZINC000035879685 II Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1ccccc1F)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000035920712 II Annotated Anodyne O=C(NN1C(=O)CS[C@H]1c1ccccc1F)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000035920714 II Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](Cn2cc(C#N)c3ccccc32)C(F)(F)F)c(C)c1 ZINC000035970442 II Annotated Mild Cc1cc(C)c(S(=O)(=O)N[C@H](Cn2cc(C#N)c3ccccc32)C(F)(F)F)c(C)c1 ZINC000035970446 II Annotated Mild CN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000035984682 II Annotated Anodyne Cc1cc(-c2ccoc2)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F ZINC000035998198 II Annotated Anodyne O=C1NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000036151620 II Annotated Clean Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2Br)c(C)c1 ZINC000036152466 II Annotated Anodyne COC(=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000036161353 II Annotated Mild CC1(C)C[C@@]2(CC(C)(C)c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c32)c2cc(O)c([N+](=O)[O-])cc21 ZINC000036176395 II Annotated Bother CC1(C)C[C@]2(CC(C)(C)c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c32)c2cc(O)c([N+](=O)[O-])cc21 ZINC000036176397 II Annotated Bother CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 ZINC000036190356 II Annotated Bother CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000036190407 II Annotated Mild O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000036190531 II Annotated Anodyne O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000036190533 II Annotated Anodyne N#Cc1ccc2c(c1)c(C1=CCN([C@H]3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN ZINC000036222043 II Annotated Mild N#Cc1ccc2c(c1)c(C1=CCN([C@@H]3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN ZINC000036222047 II Annotated Mild CN(C)[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351521 II Annotated Anodyne CC(=O)O[C@@H](C[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 ZINC000036374487 II Annotated Anodyne C/C=C/[C@H](O)[C@@H](C)C[C@@H](C)[C@H](OC(=O)CCC(=O)O)[C@@H](C)/C=C/C=C/C=C(\C)C(=O)O ZINC000036375378 II Annotated Anodyne C/C=C/[C@@H](O)[C@@H](C)C[C@@H](C)[C@H](OC(=O)CCC(=O)O)[C@@H](C)/C=C/C=C/C=C(\C)C(=O)O ZINC000036375380 II Annotated Anodyne C/C=C/[C@H](O)[C@H](C)C[C@@H](C)[C@H](OC(=O)CCC(=O)O)[C@@H](C)/C=C/C=C/C=C(\C)C(=O)O ZINC000036375382 II Annotated Anodyne C/C=C/[C@@H](O)[C@H](C)C[C@@H](C)[C@H](OC(=O)CCC(=O)O)[C@@H](C)/C=C/C=C/C=C(\C)C(=O)O ZINC000036375384 II Annotated Anodyne O=C(O)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375563 II Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375676 II Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375741 II Annotated Anodyne C=CC[C@@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375892 II Annotated Mild C=CC[C@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375954 II Annotated Mild CC(C)NC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccc(CO)cc1 ZINC000036376076 II Annotated Anodyne CCCNC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccc(CO)cc1 ZINC000036376439 II Annotated Anodyne COc1cc2c(cc1O)[C@H](C1CC1)N(Cc1cc3c(cc1Br)OCO3)CC2 ZINC000036376615 II Annotated Anodyne COc1cc2c(cc1O)[C@@H](C1CC1)N(Cc1cc3c(cc1Br)OCO3)CC2 ZINC000036376617 II Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000036378268 II Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1ccc(Br)cc1 ZINC000036379130 II Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)N/C1=N\CCc1ccccn1 ZINC000036379162 II Annotated Mild c1csc(-c2nc(N3CCN(Cc4ccc5c(c4)OCCO5)CC3)c3ccccc3n2)c1 ZINC000036381487 II Annotated Anodyne COC(=O)C1=C(C)N(CC2CC2)C(N(C)Cc2ccc(OC)cc2)=N[C@H]1c1ccccc1 ZINC000036381710 II Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 ZINC000036381958 II Annotated Anodyne C=C(C#Cc1ccc(OC)cc1)CCN1C=C(C(=O)OCC)[C@@H](c2ccccc2)NC1=O ZINC000036382030 II Annotated Mild COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCCCC4)c32)cc1 ZINC000036382404 II Annotated Anodyne COc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCCCC4)c32)cc1 ZINC000036382405 II Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCCCC4)c32)cc1 ZINC000036382420 II Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCCCC4)c32)cc1 ZINC000036382421 II Annotated Anodyne CCOC(=O)[C@]12Cc3cc4c(cc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12)OCO4 ZINC000036382896 II Annotated Anodyne CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000036382984 II Annotated Anodyne O=C1CC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1NC3=NCc1ccccc1 ZINC000036383178 II Annotated Mild COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036384291 II Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000036384311 II Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036384325 II Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036384326 II Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccccc3C(=O)N12 ZINC000036387360 II Annotated Anodyne COCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(-c3ccccc3)c(F)c1)C2 ZINC000036388445 II Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000036388486 II Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(Cc3ccncc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388501 II Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)C3CCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388566 II Annotated Anodyne COc1cc2cc(CCCOC(=O)c3cccc(Br)c3)oc(=O)c2cc1OC ZINC000036388701 II Annotated Anodyne COc1cc2cc(CCCOC(=O)c3ccc(Br)cc3)oc(=O)c2cc1OC ZINC000036388703 II Annotated Anodyne C[C@@]12C(=O)N(Cc3ccccc3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389044 II Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4cc(Cl)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O ZINC000036389064 II Annotated Anodyne O=C(CCc1ccccc1)N[C@]1(Cc2ccccc2)CCN(CCc2cccs2)C1=O ZINC000036389156 II Annotated Anodyne O=C(CCc1ccccc1)N[C@@]1(Cc2ccccc2)CCN(CCc2cccs2)C1=O ZINC000036389157 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=CC[C@H]2C(C)(C)[C@H]1OC(=O)[C@H](C)CC)CO[C@H]3O ZINC000036402878 II Annotated Anodyne CC(C)(C)n1ncc(OCc2nnc(-c3ccc(Br)cc3)o2)c(Cl)c1=O ZINC000036426091 II Annotated Anodyne COC(=O)C1=C(C)N2C[C@@H](C)O[C@]2(C)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000036444930 II Annotated Anodyne CC(=O)C[C@@H]1OC(=O)C2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@]1(C)CC[C@H](C(C)(C)O)[C@@H]2C1 ZINC000036471734 II Annotated Anodyne O=C1CCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCN1 ZINC000036473344 II Annotated Anodyne CN1CCC(N(C)c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1 ZINC000036478882 II Annotated Anodyne COc1cc(Nc2cc(-n3cc(C)c4c3CCCC4=O)ccc2C(N)=O)cc(OC)c1OC ZINC000036486136 II Annotated Anodyne CN(C)C1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)CC1 ZINC000036488296 II Annotated Anodyne Cc1cc(COc2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2-c2ccc(Cl)cc2)on1 ZINC000036520873 II Annotated Anodyne CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1c1coc2ccccc2c1=O ZINC000037867817 II Annotated Anodyne CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O ZINC000037867819 II Annotated Anodyne CCN1C(=O)/C(=C2\Sc3ccccc3N2C)[S+]=C1/C=C1/Oc2ccccc2N1CC ZINC000377385977 II Annotated Mild CCN1C(=O)/C(=C2\Sc3ccccc3N2C)[S+]=C1/C=C1\Oc2ccccc2N1CC ZINC000377385978 II Annotated Mild Cn1ccc(=Nc2ccc(Sc3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000377406480 II Annotated Anodyne Cn1c2ccccc2c(=Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccccc21 ZINC000377825253 II Annotated Bother CCn1c2cc(=NC(=O)CCCC(N)=O)ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000377829977 II Annotated Bother COc1ccc2cc3n(cc-2c1=NCCc1ccccn1)CCc1cc2c(cc1-3)OCO2 ZINC000377840019 II Annotated Anodyne CCCCCCCCC1=c2ccc(OC)c(OC)c2=CN2CCC3=CC(=O)C(O)=CC3=C12 ZINC000377841312 II Annotated Mild C1=CN2CCSCCN3C=CC(=NCCOCCN=C1c1ccccc12)c1ccccc13 ZINC000377846424 II Annotated Anodyne C1=CN2CCOCCN3C=CC(=NCCSCCN=C1c1ccccc12)c1ccccc13 ZINC000377853460 II Annotated Anodyne C=C(C#Cc1ccc(OC)cc1)CCN1C=C(C(=O)OCC)[C@H](c2ccccc2)NC1=O ZINC000038142398 II Annotated Mild C[C@@H]1C(=O)N(CCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148525 II Annotated Mild C[C@H]1C(=O)N(CCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148526 II Annotated Mild CC[C@@H]1C(=O)N(CCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148615 II Annotated Mild CC[C@H]1C(=O)N(CCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148616 II Annotated Mild CCCCCCCCCCCCCCCCCCO[C@@H]1C(=O)O[C@H]([C@H](O)CO)C1=O ZINC000038153750 II Annotated Mild CCCCCCCCCCCCCCCCCCO[C@H]1C(=O)O[C@H]([C@@H](O)CO)C1=O ZINC000038153751 II Annotated Mild CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000038153928 II Annotated Reactive CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000038153929 II Annotated Reactive CCOc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000038153932 II Annotated Reactive CCOc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000038153933 II Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)/C(C)=C/C ZINC000038154954 II Annotated Anodyne O=C1C(Br)=CC(=CNNc2c(Cl)cncc2Cl)C=C1Br ZINC000038167009 II Annotated Mild C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)S/C1=N/c1nccs1 ZINC000038183400 II Annotated Mild CC[C@@H](C)[C@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(CO)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O ZINC000038216433 II Annotated Anodyne Cc1nc2ccccc2n1C1[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@H]12 ZINC000038253904 II Annotated Anodyne CC(=O)C1=CC[C@H](c2ccc(Br)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000038269109 II Annotated Mild CC(=O)C1=CC[C@@H](c2ccc(Br)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000038269110 II Annotated Mild COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)C(=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000038269359 II Annotated Bother CC(=O)C[C@@H]1OC(=O)C2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2C1 ZINC000038309391 II Annotated Anodyne COc1cc(-c2c(C#N)c(=O)oc3cc(N(C)C)ccc23)cc(Br)c1OC ZINC000038450102 II Annotated Mild Cc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O ZINC000038469423 II Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(Br)c1OC ZINC000038469686 II Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(Br)c1OC ZINC000038469687 II Annotated Reactive CC(C)=CC(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000038560227 II Annotated Anodyne C=C1[C@H](O)CC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 ZINC000038575986 II Annotated Mild CC(C)CCCCCCCCCC[C@@]1(O)C=CC2=[N+](CCCCCN=C(N)N)CCCN21 ZINC000038576847 II Annotated Mild CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1COCc1ccccc1 ZINC000038657743 II Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](OC(C)=O)C2)cc1Cl ZINC000038733526 II Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](OC(C)=O)C2)cc1Cl ZINC000038733529 II Annotated Mild Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(F)ccc4n2)CC1)O3 ZINC000038800873 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=CC[C@H]2C(C)(C)[C@H]1OC(=O)/C(C)=C\CC)CO[C@H]3O ZINC000038800993 II Annotated Anodyne CCN(CC)CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C ZINC000038840744 II Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@H](O)C2)cc1OC(C)C ZINC000038840855 II Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@@H](O)C2)cc1OC(C)C ZINC000038840856 II Annotated Mild COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c2c1OC(C)(C)C=C2 ZINC000038846061 II Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C ZINC000038906820 II Annotated Anodyne CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C/[C@H](CCC(=O)OC)OC(C)=O ZINC000038941186 II Annotated Mild C=C1C[C@]23CC[C@H]1C[C@H]2[C@]12C=N[C@@H](OCC)[C@](C)(CCC1)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O ZINC000038969416 II Annotated Mild CC(=O)O[C@H]1CC(=O)[C@H](C)[C@@](C)(/C=C/C(C)=C/Cc2c(O)cc(C)c(C=O)c2O)[C@@H]1C ZINC000038991524 II Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)[C@H](C)CC)[C@@H]1[C@H]2OC(=O)/C(C)=C\C ZINC000038991672 II Annotated Mild COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)C/C=C/C(C)(C)O ZINC000039033950 II Annotated Bother CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)Oc4c(c(O)cc5c4CNC5=O)C[C@@H]32)C1(C)C ZINC000039034011 II Annotated Anodyne C=C(C)[C@@H](O)Cc1c(O)c(/C=C/C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC000039034546 II Annotated Mild in-vitro biogenic C=C(C)[C@H](O)Cc1c(O)c(/C=C/C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC000039034547 II Annotated Mild CC1(C)O[C@@](C)([C@H]2CC[C@](C)(NC=O)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)CC[C@@H]1Cl ZINC000039034671 II Annotated Reactive C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)CC(C)C)[C@@H]1[C@H]2OC(=O)/C(C)=C\C ZINC000039065592 II Annotated Mild CC1(C)C[C@H]2[C@@H](CC[C@@]2(C)O)[C@]2(C)C[C@@H]2[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000039107605 II Annotated Bother CO[C@H]1C[C@]2(OC)O[C@@H](OC)[C@@H]3[C@H](OC(C)=O)C[C@@H](/C(C)=C\CC=C(C)C)[C@H]3[C@@H]2[C@@H]1C ZINC000039165268 II Annotated Anodyne CC(=O)N[C@@H](COC(C)=O)[C@H](O)[C@@H](CCCCCCCCCCCC(C)C)OC(C)=O ZINC000039165563 II Annotated Anodyne CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(F)ccc4c3c2c1=O ZINC000039365320 II Annotated Bother CC1=C([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)CC[C@H]2C3=C(C(=O)[C@H]12)[C@]1(C)CC[C@H](O)CC1=CC3 ZINC000004008413 II Annotated Mild CC1=C([C@H](C)[C@@H]2NC[C@@H](C)C[C@@H]2O)CC[C@H]2C3=C(C(=O)[C@H]12)[C@]1(C)CC[C@H](O)CC1=CC3 ZINC000004008414 II Annotated Mild CC1=C([C@H](C)[C@@H]2NC[C@H](C)C[C@H]2O)CC[C@H]2C3=C(C(=O)[C@H]12)[C@]1(C)CC[C@H](O)CC1=CC3 ZINC000004008415 II Annotated Mild CC1=C([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)CC[C@H]2C3=C(C(=O)[C@H]12)[C@]1(C)CC[C@H](O)CC1=CC3 ZINC000004008416 II Annotated Mild C[C@H](NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004035537 II Annotated Anodyne C[C@@H](NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004035538 II Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036635 II Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036638 II Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004037893 II Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004037896 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004038855 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004038862 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004038867 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040564 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040566 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040569 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004040574 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041627 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041631 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042059 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042061 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042063 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042064 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043232 II Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043234 II Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043235 II Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004043236 II Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043281 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043283 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004043468 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004043471 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004043474 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004043475 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043843 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043851 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043860 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043878 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044629 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044634 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044638 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044641 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045329 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045333 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045337 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045341 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045625 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045626 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046272 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046277 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004049784 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004049786 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004049793 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004049799 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049865 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049867 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004049868 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004049870 II Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004050289 II Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004050292 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004050992 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004050994 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004050998 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004051002 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051084 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051085 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051087 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051089 II Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)c1OC ZINC000004052088 II Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)c1OC ZINC000004052099 II Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000004052277 II Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000004052280 II Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)c1OC ZINC000004052761 II Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)c1OC ZINC000004052767 II Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)c1 ZINC000004052837 II Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)c1 ZINC000004052843 II Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000004052938 II Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000004052943 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004053496 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004053497 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004053498 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004054037 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004054040 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004054043 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004054072 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004054074 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004054078 II Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc1OC ZINC000004054101 II Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000004054104 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004054772 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004054774 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004054775 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004054777 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004054808 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004054809 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004054812 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004054814 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055036 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055037 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055038 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055056 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055057 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055058 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055069 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055070 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055071 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055072 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055088 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055089 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055090 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055091 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055254 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004055255 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004055256 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004055257 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055394 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055395 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055396 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004055397 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055414 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055415 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055416 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055417 II Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055600 II Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055601 II Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055602 II Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055603 II Annotated Mild COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055620 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055621 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055622 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055623 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055640 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055641 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055642 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055643 II Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004055666 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004055667 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004055668 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004055904 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004055905 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004055906 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004055907 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000004055924 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000004055925 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000004055926 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000004055927 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055940 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055941 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055942 II Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)cc1 ZINC000004075476 II Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004075477 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075619 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075620 II Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000004075928 II Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004075937 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004076216 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004076223 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004076231 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004076240 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078027 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078029 II Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000004078843 II Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004078856 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079961 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079963 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079965 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079970 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080150 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080151 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004080167 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004080171 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004080209 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004080215 II Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080295 II Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080296 II Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081352 II Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004081353 II Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081654 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081655 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081657 II Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N(C)C ZINC000004081768 II Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N(C)C ZINC000004081769 II 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)C[C@@H](O)[C@]21C ZINC000004097782 II Annotated Anodyne in-vitro COc1cc2c(cc1OC)[C@@H]1C[C@@H](OC(=O)/C=C\c3ccc(O)c-2c3)[C@H]2CCCCN2C1 ZINC000004098775 II Annotated Anodyne in-vitro COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@H](C)C(=O)c1ccc(C)cc1 ZINC000004112827 II Annotated Anodyne COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000004112828 II Annotated Anodyne COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 ZINC000004112830 II Annotated Anodyne COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000004112831 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@H]1c1c[nH]c2ccccc12 ZINC000004118866 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@@H]1c1c[nH]c2ccccc12 ZINC000004118868 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@H]1c1c[nH]c2ccccc12 ZINC000004118870 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@@H]1c1c[nH]c2ccccc12 ZINC000004118872 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151888 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151890 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151893 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152318 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152319 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152320 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152321 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152337 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152338 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152340 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152342 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152371 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152373 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152376 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152377 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152379 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004152381 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004152383 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCOC ZINC000004153338 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCOC ZINC000004153339 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCOC ZINC000004153340 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCOC ZINC000004153341 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCOC ZINC000004153353 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCOC ZINC000004153355 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCOC ZINC000004153356 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCOC ZINC000004153358 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCCOC ZINC000004153382 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCCOC ZINC000004153383 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCCOC ZINC000004153384 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCCOC ZINC000004153385 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153643 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153644 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153645 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153646 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153933 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153934 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153935 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153936 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CCOCC1 ZINC000004154032 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CCOCC1 ZINC000004154033 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154303 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154304 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154313 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154314 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004155188 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004155189 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004155190 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N(C)C ZINC000004204550 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N(C)C ZINC000004204553 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204865 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204867 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204869 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204871 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N(C)C ZINC000004205001 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N(C)C ZINC000004205002 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004205603 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCN(CC)CC ZINC000004205606 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004205610 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCN(CC)CC ZINC000004205612 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004205667 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004205670 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004205672 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004205673 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206228 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206230 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206232 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206234 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206273 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206275 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206277 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206279 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206317 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206321 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206324 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206326 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206372 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206374 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206376 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206378 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004206779 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004206781 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004206784 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004206786 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207120 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207122 II Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207123 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004207125 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207165 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207167 II Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207169 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207170 II Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207549 II Annotated Mild N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207550 II Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207551 II Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207552 II Annotated Mild COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207569 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207570 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207571 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207572 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207589 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207590 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207591 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207592 II Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004207616 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004207617 II Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004207618 II Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004207619 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004207979 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004207981 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004207983 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004207986 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000004208012 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000004208014 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000004208017 II Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000004208019 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004208035 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004208036 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004208037 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004208038 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208395 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208396 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208397 II Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208398 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208864 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004208867 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208912 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004208918 II Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211357 II Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004211362 II Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211745 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211746 II Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211748 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211750 II Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N(C)C ZINC000004211857 II Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N(C)C ZINC000004211858 II Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212301 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212306 II Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212309 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212313 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212455 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212459 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212462 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212468 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004212670 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004212672 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCOCCO ZINC000004212675 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCOCCO ZINC000004212678 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213299 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213303 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213305 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213309 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004213395 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004213398 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004213401 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004213403 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCOC ZINC000004214614 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCOC ZINC000004214615 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCOC ZINC000004214617 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCOC ZINC000004214618 II Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CCOCC1 ZINC000004215572 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CCOCC1 ZINC000004215573 II Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CCOCC1 ZINC000004215574 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CCOCC1 ZINC000004215576 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216311 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216313 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216316 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216318 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216373 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216376 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216377 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216380 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216420 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216421 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216423 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216425 II Annotated Anodyne COc1ccc(CNC(=O)[C@@H](C)[C@@H]2CCc3c(C)cc(OCCN(C)C)c(C)c3C2)cc1 ZINC000004222669 II Annotated Anodyne Cc1cc(C)c2cc(CN(CCN(C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000004231226 II Annotated Anodyne COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238374 II Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1 ZINC000004238454 II Annotated Anodyne N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238469 II Annotated Mild N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238485 II Annotated Mild N#CCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238698 II Annotated Mild aggregator CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004273941 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004273948 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004273956 II Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004273961 II Annotated Bother CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294989 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294990 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294991 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294993 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295021 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295022 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295023 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295024 II Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004296164 II Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004296166 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296218 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296222 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296223 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296368 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296369 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296422 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296423 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296424 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296457 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296458 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296459 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296464 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296465 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296466 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296467 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296628 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296629 II Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296630 II Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296631 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004296646 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004296647 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296687 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296688 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296690 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCCOC ZINC000004296730 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCCOC ZINC000004296731 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCCOC ZINC000004296732 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCCOC ZINC000004296733 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296914 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296915 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296956 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296957 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296959 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296991 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296992 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296993 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296994 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296999 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004297000 II Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004297001 II Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004297002 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310446 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310447 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310448 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004310449 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310498 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310499 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310500 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310501 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004310570 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004310571 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004310572 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004310573 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004310602 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004310603 II Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004310604 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004310605 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310614 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310615 II Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310616 II Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310617 II Annotated Anodyne O=C(O)C[C@@](O)(C[C@H](O)CCCCC[C@@H]1c2ccccc2-c2cc(Cl)ccc21)C(=O)O ZINC000004394348 II Annotated Anodyne O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1C(F)(F)F ZINC000004400708 II Annotated Anodyne O=C(NC1CCCC1)[C@H](c1cccs1)N(C[C@@H]1CCCO1)C(=O)Cc1cccs1 ZINC000004411553 II Annotated Anodyne O=C(NC1CCCC1)[C@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)Cc1cccs1 ZINC000004411554 II Annotated Anodyne O=C(NC1CCCC1)[C@@H](c1cccs1)N(C[C@@H]1CCCO1)C(=O)Cc1cccs1 ZINC000004411555 II Annotated Anodyne O=C(NC1CCCC1)[C@@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)Cc1cccs1 ZINC000004411556 II Annotated Anodyne Cc1ccccc1C1=NCC(=O)N(CC(=O)NCc2ccco2)c2sc3c(c21)CCCC3 ZINC000004411614 II Annotated Anodyne CN(C)/C=N\c1nc(/N=C/N(C)C)nc2ncc(Sc3ccc(Cl)c(Cl)c3)nc12 ZINC000040368909 II Annotated Mild COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1 ZINC000040379591 II Annotated Anodyne COc1ccccc1/C=N/c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040379606 II Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000040379930 II Annotated Mild COc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)n(Cc3ccc(Cl)nc3)n2)cc1 ZINC000040380227 II Annotated Reactive C#CCCCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000040391069 II Annotated Mild Cc1cc(-n2ccc(-n3cc[nH]c3=O)n2)c2c(n1)N(c1ccc(Cl)cc1Cl)CC2 ZINC000040391415 II Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@]3(C(=O)N(C)c4ccccc43)[C@]23Cc2ccccc2C3=O)cc1 ZINC000040393107 II Annotated Anodyne N#Cc1cc(C#N)cc(Oc2c(Br)ccc(Cc3n[nH]c4nnccc34)c2F)c1 ZINC000040393517 II Annotated Mild C=C1C[C@@H](OC(=O)C2=C(C)OC2)[C@@H](C(C)C)[C@H]2[C@H]1C[C@H](OC(=O)/C(C)=C\C)[C@@H]2C(C)=O ZINC000040394125 II Annotated Mild COc1ccc(-c2nnc(-n3c(/C=C/c4ccncc4)nc4ccccc4c3=O)s2)cc1 ZINC000040394938 II Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@]1(C)COC(=O)O1)O2 ZINC000040395632 II Annotated Bother CCN(CC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Br)c(C)nn12 ZINC000040402157 II Annotated Anodyne CCOc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040402887 II Annotated Anodyne CCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040403632 II Annotated Anodyne Nc1nc(N)c2c(n1)N(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1S2(=O)=O ZINC000040405204 II Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc1CC2 ZINC000040405897 II Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@H]2c2c(Br)cccc2Br)n1 ZINC000040408218 II Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@@H]2c2c(Br)cccc2Br)n1 ZINC000040408222 II Annotated Anodyne CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(C)c2)o1 ZINC000040410115 II Annotated Clean CCSC(=S)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000040410535 II Annotated Anodyne CC(C)CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040411294 II Annotated Mild C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)CN1c1ncccc1Cl ZINC000040420975 II Annotated Anodyne CCCCn1c(=O)c2cc(NCCN(C)C)ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000040421771 II Annotated Bother C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]21 ZINC000040423168 II Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1ccc(I)cc1 ZINC000040423433 II Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1ccc(I)cc1 ZINC000040423434 II Annotated Anodyne COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OCc3ccccc3)c1C2=O ZINC000040423693 II Annotated Mild COCc1ccccc1C#CC#Cc1cc(CN(C)C)sc1[C@@H](O)C#CC#CC(C)(C)C ZINC000040424385 II Annotated Mild COCc1ccccc1C#CC#Cc1cc(CN(C)C)sc1[C@H](O)C#CC#CC(C)(C)C ZINC000040424386 II Annotated Mild CC[C@H](C)CCC[C@H](O)[C@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12 ZINC000040424401 II Annotated Bother CC[C@H](C)CCC[C@@H](O)[C@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12 ZINC000040424403 II Annotated Anodyne C=CCN1C[C@@H]2c3[nH]c4ccc(OC)cc4c3C[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040428668 II Annotated Mild O=P(O)(O)C(/C(=C/c1ccccc1Cl)c1nc2ccccc2s1)P(=O)(O)O ZINC000040429382 II Annotated Anodyne C=CCN1C[C@H]2c3[nH]c4ccc(OC)cc4c3C[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040429615 II Annotated Mild Nc1ncnc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c1/C=N/N1CCCCC1 ZINC000040430046 II Annotated Mild CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC#N)CC1 ZINC000040430119 II Annotated Mild COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1 ZINC000040431067 II Annotated Anodyne C[N+](C)=[N+]=Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000040457158 II Annotated Clean CN(C)CCCNCc1cccc2c1Oc1c(CNCCCN(C)C)cccc1C2(C)C ZINC000040466793 II Annotated Anodyne CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)N(C(C)=O)c2ccccc2S3)cs1 ZINC000040466998 II Annotated Anodyne CC[C@@H]1C(C(N)=O)=C2C(OCC(=O)O)=CC=CN2/C1=C\c1ccccc1Cc1ccccc1 ZINC000040487261 II Annotated Anodyne CC(C)OC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000040499311 II Annotated Anodyne COc1ccccc1-c1nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c1-c1ccccc1OC ZINC000040505074 II Annotated Anodyne COc1cccc(-c2nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c2-c2cccc(OC)c2)c1 ZINC000040506293 II Annotated Anodyne O=C1C[C@H](SCCO)/C(=C\C#Cc2ccccc2)[C@H]1[C@H](SCCO)c1ccccc1 ZINC000040519691 II Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)NC2CCCCC2)[C@@]13C(=O)O ZINC000040520087 II Annotated Mild CN(C)CCO/N=C1/C(c2c(O)n(C)c3c(Br)cccc23)=Nc2ccccc21 ZINC000040565118 II Annotated Mild O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(F)(F)CC3)co2)cc1 ZINC000040566811 II Annotated Anodyne O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(Cl)CC3)co2)cc1 ZINC000040566982 II Annotated Reactive O=[N+]([O-])c1ccc(C2=NN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1 ZINC000040567081 II Annotated Bother CN(C)CCO/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21 ZINC000040567109 II Annotated Mild COc1cc(C2=NN(C(C)=O)[C@H](c3cc(Cl)cc(Cl)c3)O2)cc(OC)c1OC ZINC000040567306 II Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@@H](c3cc(Cl)cc(Cl)c3)O2)cc(OC)c1OC ZINC000040567307 II Annotated Anodyne CC[C@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(Cl)c(Br)c1 ZINC000040567888 II Annotated Mild CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(Cl)c(Br)c1 ZINC000040568406 II Annotated Mild O=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)C3(CCCC3)OCC1=N2 ZINC000040568446 II Annotated Mild O=C1COCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)C3(CCCC3)OCC1=N2 ZINC000040568448 II Annotated Mild C=C(C)C(=O)OCCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040568627 II Annotated Mild C=C(C)C(=O)OCCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040568629 II Annotated Mild O=C(Cc1cccc(Cl)c1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040568665 II Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@H](c3c(Cl)cccc3Cl)O2)cc(OC)c1OC ZINC000040575359 II Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@@H](c3c(Cl)cccc3Cl)O2)cc(OC)c1OC ZINC000040575361 II Annotated Anodyne CC/C(=N/Nc1ccc([N+](=O)[O-])cc1)Sc1cc(Cl)c(C)cc1S(N)(=O)=O ZINC000040576130 II Annotated Mild CC(C)(O)CCc1c(O)cc(O)c2c1O[C@H](c1cc3c(cc1O)OC(C)(C)C=C3)CC2=O ZINC000040576223 II Annotated Anodyne COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCN(C(C)C)CC2)n1C ZINC000040584745 II Annotated Anodyne COc1cc(C2=C(c3cc(C)c(OC)c(C)c3)[C@@H](OC(C)=O)CC2=O)cc(OC)c1OC ZINC000040585278 II Annotated Mild COc1cc(C2=C(c3cc(C)c(OC)c(C)c3)[C@H](OC(C)=O)CC2=O)cc(OC)c1OC ZINC000040585280 II Annotated Mild CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccc(O)c(N)c2)[C@H]1[N+](=O)[O-] ZINC000040602082 II Annotated Bother COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccn(C)c32)cc(Br)c1OC ZINC000040614014 II Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccn(C)c32)cc(Br)c1OC ZINC000040614016 II Annotated Reactive CC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)C(C)(C)OC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040617120 II Annotated Mild C[C@@H]1CC/C(=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040639824 II Annotated Mild C[C@H]1CC/C(=N\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040639827 II Annotated Mild Cn1c2c(c3ccccc31)[C@@](C)(c1cccc(CC(=O)O)c1)c1cc(C(=O)O)sc1C2=O ZINC000040641539 II Annotated Anodyne Cn1c2c(c3ccccc31)[C@](C)(c1cccc(CC(=O)O)c1)c1cc(C(=O)O)sc1C2=O ZINC000040641541 II Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(Br)c1OC ZINC000040762247 II Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(Br)c1OC ZINC000040762249 II Annotated Reactive CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000040763965 II Annotated Bother CC(C)C[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040764188 II Annotated Mild CC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1(C)C)[C@H]2c1ccc(F)c(Br)c1 ZINC000040764303 II Annotated Mild CCCC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040764377 II Annotated Mild COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)c(Cl)c3)O2)cc(OC)c1OC ZINC000040764388 II Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)c(Cl)c3)O2)cc(OC)c1OC ZINC000040764389 II Annotated Anodyne CC[C@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(Br)c(Cl)c1 ZINC000040764410 II Annotated Mild CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(Br)c(Cl)c1 ZINC000040764415 II Annotated Mild CCCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040766723 II Annotated Mild CC(C)C[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040766994 II Annotated Mild COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(Br)c1OC ZINC000040781850 II Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(Br)c1OC ZINC000040781852 II Annotated Reactive CC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1(C)C)[C@H]2c1ccc(F)c(Br)c1 ZINC000040791302 II Annotated Mild CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CSC[C@H]3[C@H]2c2ccccc2)CC1 ZINC000040791386 II Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2cccc(S(N)(=O)=O)c2)o1 ZINC000040810633 II Annotated Clean CC[C@H]1OC(O)=C2C1=NC1=C(C(=O)C(C)(C)OC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040812656 II Annotated Mild CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(C[N+](C)(C)C)c2)c(Cl)c1Cl ZINC000040812854 II Annotated Clean O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCC(F)(F)C3)co2)cc1 ZINC000040822451 II Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]c(C)cc32)cc(Br)c1OC ZINC000040822648 II Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]c(C)cc32)cc(Br)c1OC ZINC000040822651 II Annotated Reactive O=C(O)c1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1 ZINC000040836478 II Annotated Anodyne C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O ZINC000040846393 II Annotated Mild C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(=O)N3CCCC3)cc2)S1)c1ccc(F)cc1 ZINC000040846803 II Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)N3CCCC3)cc2)S1)c1ccc(F)cc1 ZINC000040846805 II Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(-c3cc(F)c(Cl)cc3Cl)n2N)c(C)c1 ZINC000040847383 II Annotated Anodyne Nc1nc(N)c2c(n1)N(c1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1S2(=O)=O ZINC000040848212 II Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000040848247 II Annotated Anodyne CCN(CC)CCCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040848252 II Annotated Anodyne CCN(CC)CCCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040848253 II Annotated Anodyne O=C1C(Cl)=C(Nc2cccc(Br)c2)C(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000040848362 II Annotated Mild COc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)cc1 ZINC000040848765 II Annotated Anodyne COc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)cc1 ZINC000040848767 II Annotated Anodyne COc1ccccc1CN1C[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)OCC1=O ZINC000040848769 II Annotated Anodyne COc1ccccc1CN1C[C@]2(CC(C)(C)Oc3ccc(Br)cc32)OCC1=O ZINC000040848771 II Annotated Anodyne O=C(c1cncc(SCc2ccccc2)n1)n1nc(O)c2cc(Br)ccc21 ZINC000040848886 II Annotated Anodyne O=C(c1cnc(SCc2ccccc2)cn1)n1nc(O)c2cc(Br)ccc21 ZINC000040849177 II Annotated Anodyne Cc1cccc(NC(=O)CSc2nnc(-c3cc(F)c(Cl)cc3Cl)n2N)c1C ZINC000040859846 II Annotated Anodyne O=C(O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000040859963 II Annotated Anodyne Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(F)c(Cl)cc2Cl)n1N ZINC000040860427 II Annotated Anodyne COc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1 ZINC000040861418 II Annotated Anodyne COc1cccc(CN2C[C@@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)c1 ZINC000040861791 II Annotated Anodyne COc1cccc(CN2C[C@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)c1 ZINC000040861793 II Annotated Anodyne Cc1ccccc1-c1nnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000040862546 II Annotated Anodyne COc1cccc2c1S(=O)(=O)N=C2c1nc(Cc2ccc(F)cc2)c2ccccc2c1O ZINC000040862694 II Annotated Anodyne Cc1cc2c(cc1Cl)S[C@H](C(=O)c1ccc(Br)cc1)NS2(=O)=O ZINC000040862919 II Annotated Anodyne Cc1cc2c(cc1Cl)S[C@@H](C(=O)c1ccc(Br)cc1)NS2(=O)=O ZINC000040862921 II Annotated Anodyne O=P(O)(O)C(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)P(=O)(O)O ZINC000040863166 II Annotated Anodyne in-vitro O=C(NC(=S)Nc1nc(Cl)cc(Cl)n1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000040863609 II Annotated Bother COc1ccc(OCCCC#N)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000040863879 II Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCCCC#N)nn2)O1 ZINC000040864211 II Annotated Mild CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccc(Cl)cc1 ZINC000040866937 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccc(Cl)cc1 ZINC000040866938 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccc(Cl)cc1 ZINC000040866940 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccc(Cl)cc1 ZINC000040866942 II Annotated Anodyne CS(=O)(=O)c1ccc([N+]2=NC(C(F)(F)F)=C/C2=C2/C=CN(C(F)F)C(O)=C2)cc1 ZINC000040873111 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccccc1Cl ZINC000040873586 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccccc1Cl ZINC000040873588 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccccc1Cl ZINC000040873590 II Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccccc1Cl ZINC000040873592 II Annotated Anodyne CC1(C)O[C@@](C)([C@H]2CC[C@@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](NC=O)[C@@H]32)CC[C@@H]1Cl ZINC000040875648 II Annotated Reactive COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc(C#N)cc2)cc1 ZINC000040875907 II Annotated Reactive COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000040876852 II Annotated Reactive CC(=O)N1c2nc[nH]c(=O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000040879120 II Annotated Mild CC(=O)N1c2nc[nH]c(=O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000040879124 II Annotated Mild COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n3ncc(C(C)C)c3n2)cc1 ZINC000040879211 II Annotated Anodyne COCCSc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3 ZINC000040879316 II Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040880226 II Annotated Reactive COc1cc2c3c(cc4c5c(ccc4c3c1OC)OCO5)N(CCN1CCCCC1)C2=O ZINC000040880588 II Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@]1(C)COC(=O)O1)O2 ZINC000040892083 II Annotated Bother COc1ccc(C(=O)Nc2cc(CN(C)C)cc(-c3nc4ncccc4o3)c2)cc1OC ZINC000040892294 II Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc1CC2 ZINC000040894623 II Annotated Anodyne CC(C)NC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC(C)C)cn3)cc2)nc1 ZINC000040895611 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(=O)Cc1ccc(OC)cc1 ZINC000040895967 II Annotated Reactive COCCn1nc(C(=O)c2ccccc2NCc2ccc3cn[nH]c3c2)c2ccccc21 ZINC000040896122 II Annotated Clean CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@@H](c1ccc(F)cc1)[C@@]21Cc2ccccc2C1=O ZINC000040898993 II Annotated Anodyne Cc1ccn2nc(SCc3nnc(SCc4ccc(Br)cc4)o3)nc2n1 ZINC000040915703 II Annotated Anodyne COc1ccc(/C=N/c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040916924 II Annotated Mild N=C1S/C(=C\c2c[nH]nc2-c2ccc(Br)cc2)C(=O)N1c1nccs1 ZINC000040916956 II Annotated Anodyne CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040917251 II Annotated Anodyne CN(C)c1ccc(/C=N/c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040917734 II Annotated Mild CCCOc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040917889 II Annotated Anodyne COc1cccc(CSc2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 ZINC000040918554 II Annotated Anodyne COc1cccc(CSc2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 ZINC000040918555 II Annotated Anodyne CCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccc(OC)cc3)[nH]c12 ZINC000040918556 II Annotated Anodyne CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2C1 ZINC000040918882 II Annotated Clean COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000040919110 II Annotated Anodyne C[C@H]1CN(c2ncccc2Cl)C[C@@H](C)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000040919129 II Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNC3CCN(Cc4ccccc4)CC3)[C@@H]2CC1 ZINC000040919171 II Annotated Anodyne CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1 ZINC000040934088 II Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3cccc4ccccc34)nn2)O1 ZINC000040934402 II Annotated Mild CCn1c2ccncc2c2cc(S(=O)(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000040936400 II Annotated Anodyne N#Cc1ccc2[nH]cc(CCCN(C3CCC3)[C@H]3COc4c(F)ccc(C(N)=O)c4C3)c2c1 ZINC000040937447 II Annotated Mild N#Cc1ccc2[nH]cc(CCCN(C3CCC3)[C@@H]3COc4c(F)ccc(C(N)=O)c4C3)c2c1 ZINC000040937449 II Annotated Mild Nc1n[nH]c2c1S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(Br)cc1 ZINC000040937827 II Annotated Anodyne CC1(C)C[C@H]2[C@@H](CC[C@@]2(C)O)[C@]2(C)C[C@H]2[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000040938227 II Annotated Bother c1ccc2c(c1)SCCc1c-2n(CCc2nnnn2CCN2CCCC2)c2ccccc12 ZINC000040938407 II Annotated Anodyne c1ccc2c(c1)CCCc1c-2n(CCc2nnnn2CCN2CCCC2)c2ccccc12 ZINC000040939203 II Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@@](C)(CC(C)C)NC3=O)c1 ZINC000040940433 II Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@](C)(CC(C)C)NC3=O)c1 ZINC000040940435 II Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@@](C)(CC(C)C)NC3=O)c1 ZINC000040940437 II Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@](C)(CC(C)C)NC3=O)c1 ZINC000040940439 II Annotated Anodyne N#Cc1ccc(OCCOc2ccc(CC3=C(O)C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000040940476 II Annotated Mild O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(Cl)c(Cl)c1Cl ZINC000040943201 II Annotated Anodyne Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2Br)cc1 ZINC000040943295 II Annotated Anodyne Nc1n[nH]c2c1S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(Br)cc1 ZINC000040943533 II Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1ccccc1I ZINC000040950709 II Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1ccccc1I ZINC000040950711 II Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1cccc(I)c1 ZINC000040950713 II Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1cccc(I)c1 ZINC000040950715 II Annotated Anodyne Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 ZINC000040951208 II Annotated Anodyne CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000040951797 II Annotated Anodyne c1ccc2c(c1)CCCc1c-2n(CCc2nnn(CCN3CCCC3)n2)c2ccccc12 ZINC000040952447 II Annotated Anodyne CC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21 ZINC000040952526 II Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040953097 II Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040953099 II Annotated Anodyne CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2[C@@H](O)C[C@@]1(C)O ZINC000040953126 II Annotated Anodyne C=CCN1C[C@H]2N(Cc3ccc(OC)cc3OC)C[C@@H]1CC[C@]21Cc2ccccc2CO1 ZINC000040953949 II Annotated Mild COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCCCC(C)C)cccc3nc12 ZINC000040954699 II Annotated Bother COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCCCC(C)C)cccc3nc12 ZINC000040954701 II Annotated Bother COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCCCC(C)C)cccc3nc12 ZINC000040954703 II Annotated Bother COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCCCC(C)C)cccc3nc12 ZINC000040954705 II Annotated Bother Cc1ccc([C@@H]2c3c(-c4ccccc4)nn(-c4ccccc4)c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 ZINC000040954713 II Annotated Anodyne Cc1ccc([C@H]2c3c(-c4ccccc4)nn(-c4ccccc4)c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 ZINC000040954715 II Annotated Anodyne O=P(O)(O)C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1)P(=O)(O)O ZINC000040956742 II Annotated Anodyne CC[C@@H]1C(=O)Nc2cc(C(F)(F)F)ccc2N1S(=O)(=O)c1cccc2cccnc12 ZINC000040956812 II Annotated Anodyne CC[C@H]1C(=O)Nc2cc(C(F)(F)F)ccc2N1S(=O)(=O)c1cccc2cccnc12 ZINC000040956815 II Annotated Anodyne CCOC(=O)c1cn(-c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c(F)cc2c1=O ZINC000040972558 II Annotated Mild in-vivo COCc1ccccc1C#CC#Cc1cc(C(=O)O)sc1[C@@H](O)C#CC#CC(C)(C)C ZINC000040972787 II Annotated Mild COCc1ccccc1C#CC#Cc1cc(C(=O)O)sc1[C@H](O)C#CC#CC(C)(C)C ZINC000040972789 II Annotated Mild COCc1ccccc1C#CC#Cc1cc(C(=O)O)sc1C(=O)C#CC#CC(C)(C)C ZINC000040972935 II Annotated Mild CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2[C@@H](O)C[C@@]1(C)O ZINC000040973309 II Annotated Anodyne CC1=CC(=O)O[C@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2[C@@H](O)C[C@@]1(C)O ZINC000040973310 II Annotated Anodyne CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1 ZINC000040974204 II Annotated Anodyne COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@H](C)Cl)cc1 ZINC000040975436 II Annotated Reactive COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@@H](C)Cl)cc1 ZINC000040975438 II Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@H](C)Cl)cc1 ZINC000040975440 II Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@@H](C)Cl)cc1 ZINC000040975442 II Annotated Reactive O=c1c(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nnn[nH]2)coc2c(Cl)cc(Cl)cc12 ZINC000040975558 II Annotated Bother CCNS[CH]/N=C1\C=CC(=C2c3ccc(O)cc3Oc3cc(O)ccc32)C(C(=O)O)=C1 ZINC000410428666 II Annotated Mild CC1=C2C[C@H]3[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@H]1[C@@H](C)[C@@H]1[C@H](O)C[C@@H](C)CN1C ZINC000042803959 II Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@H]1[C@@H](C)[C@@H]1[C@H](O)C[C@@H](C)CN1C ZINC000042804510 II Annotated Anodyne Cc1cc(I)ccc1Nc1c(-c2nnc(N)o2)ccc(F)c1F ZINC000042888324 II Annotated Anodyne CCOc1c2c(c(-c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc13)OCO4)C(=O)OC2 ZINC000042889174 II Annotated Anodyne CCCCNC(=O)c1cc(I)ccc1NC(=O)c1cccs1 ZINC000042921096 II Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCc1ccc(I)cc1 ZINC000042923301 II Annotated Anodyne O=P(O)(O)OCc1cc(Cl)ccc1-c1noc(-c2occc2Br)n1 ZINC000042966599 II Annotated Anodyne COc1cccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 ZINC000043013788 II Annotated Anodyne CCn1cc(-c2nc3ccccc3s2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000043015777 II Annotated Anodyne CCn1cc(-c2nc3ccccc3s2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000043015780 II Annotated Anodyne C[C@H](Cc1ccccc1)n1c(-c2ncccc2O)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043016661 II Annotated Anodyne Nc1cc(OS(=O)(=O)c2ccccc2Cl)nc(SCc2ccccc2Cl)n1 ZINC000043019182 II Annotated Anodyne O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000043019278 II Annotated Anodyne O=C(CC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1)N1CCC[C@H](CO)C1 ZINC000043020456 II Annotated Anodyne O=C(CC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1)N1CCC[C@@H](CO)C1 ZINC000043020459 II Annotated Anodyne C=CCCCO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043020920 II Annotated Mild CN1C(=S)NC(=O)/C1=C\c1cn(CCCCCOc2ccc(C#N)cc2)c2ccccc12 ZINC000043022491 II Annotated Mild COCCCn1c(CN2C(=O)/C(=[N+](/[O-])C3CCCCC3)c3ccccc32)nc2ccccc21 ZINC000043059987 II Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1-2 ZINC000043060605 II Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCC3CCC3)c3ccccc32)nc2ccccc21 ZINC000043067648 II Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000043070669 II Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000043070673 II Annotated Anodyne O=c1c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc2n1CC1CCCCC1 ZINC000043070699 II Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1-2 ZINC000043073134 II Annotated Anodyne C[C@@H](C(N)=O)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(Cl)ccc2c1=O ZINC000043075034 II Annotated Anodyne C[C@H](C(N)=O)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(Cl)ccc2c1=O ZINC000043075037 II Annotated Anodyne COc1cc2nc3c(cc2c(CN2CCN(C)CC2)c1O)CSc1cc(F)ccc1-3 ZINC000043076770 II Annotated Clean c1ccc2c(Nc3ccc4c(c3)CNCC4)nnc(Nc3ccc(C4=NCCN4)cc3)c2c1 ZINC000043077527 II Annotated Anodyne COc1ncc(Br)cc1CN1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 ZINC000043079040 II Annotated Anodyne CC[C@@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)[C@H](C)O ZINC000043099734 II Annotated Anodyne C[C@]1(CI)CCOO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043100688 II Annotated Reactive C[C@@]1(CI)CCOO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043100692 II Annotated Reactive C[C@]1(CI)CCOO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043100696 II Annotated Reactive C[C@@]1(CI)CCOO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043100700 II Annotated Reactive Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(N4CCOCC4)CC3)cc12 ZINC000043102211 II Annotated Anodyne CNS(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)c1 ZINC000043102217 II Annotated Anodyne CN1CCOc2cc(S(=O)(=O)Nc3sccc3-c3nc4ccccc4s3)cnc21 ZINC000043119978 II Annotated Anodyne CCC(CC)/[N+]([O-])=C1\C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043120320 II Annotated Mild Cc1ccc2c(=O)n([C@@H](C)CO)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1 ZINC000043120384 II Annotated Anodyne Cc1ccc2c(=O)n([C@H](C)CO)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1 ZINC000043120385 II Annotated Anodyne CC(=O)OCc1cncc(Cl)c1C(=O)c1cccc2c(-c3ccnn3C)cc(C)nc12 ZINC000043120777 II Annotated Anodyne N#CCCCn1c(CN2C(=O)/C(=N/OCC(F)(F)F)c3ccccc32)nc2ccccc21 ZINC000043121674 II Annotated Mild CCNc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CCC(C)(C)C2 ZINC000043152220 II Annotated Anodyne CC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000043195550 II Annotated Mild CCSc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 ZINC000043197907 II Annotated Anodyne CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000043198287 II Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000043202580 II Annotated Clean COc1cc(Nc2c(OC)cnn([C@@H](C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1 ZINC000043203274 II Annotated Anodyne COc1cc(Nc2c(OC)cnn([C@H](C)c3ccccc3)c2=O)ccc1-n1cnc(C)c1 ZINC000043203275 II Annotated Anodyne O=C(O)c1cc(CN2CCc3ccccc3[C@H]2c2ccccc2F)c2ccccn2c1=O ZINC000043207352 II Annotated Anodyne O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2c2ccccc2F)c2ccccn2c1=O ZINC000043207353 II Annotated Anodyne O=P(OCc1ccco1)(N(CCCl)CCCl)N(CCCl)CCCl ZINC000043260386 II Annotated Reactive CCCCCCCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000043552836 II Annotated Mild CCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OCC)C(=O)C=CC3=O)C2=O ZINC000043587137 II Annotated Mild CCOC(=O)CC[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CCC(=O)OCC)OO2 ZINC000043706556 II Annotated Reactive CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)Cc1ncc[nH]1 ZINC000043834305 II Annotated Mild CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)Cc1ncc[nH]1 ZINC000043834310 II Annotated Mild CCOC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000043967615 II Annotated Anodyne CCOc1cc(C=C(C#N)C#N)cc(-c2cc(C=C(C#N)C#N)cc(OCC)c2O)c1O ZINC000044118067 II Annotated Reactive C/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)CO)[C@@H]2C[C@@H](Cl)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C ZINC000044220994 II Annotated Reactive C[C@H](CO)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044386909 II Annotated Anodyne C[C@H](CO)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044386911 II Annotated Anodyne CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F ZINC000044417051 II Annotated Mild C=C1C[C@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000044431164 II Annotated Reactive C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000044431168 II Annotated Reactive C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000044431170 II Annotated Reactive CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547056 II Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547058 II Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547064 II Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547068 II Annotated Mild COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004733041 II Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004733042 II Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004733049 II Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004733051 II Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCC1=CCCCC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733087 II Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCC1=CCCCC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733092 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCC1=CCCCC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733096 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCC1=CCCCC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733101 II Annotated Anodyne CCc1ccc2nc(N3CCC(C(=O)NC[C@@H]4COc5ccccc5O4)CC3)sc2c1 ZINC000004757388 II Annotated Anodyne CCc1ccc2nc(N3CCC(C(=O)NC[C@H]4COc5ccccc5O4)CC3)sc2c1 ZINC000004757389 II Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC[C@H]1C)[C@@H](c1cccs1)N(C)C2=O ZINC000004760032 II Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC[C@@H]1C)[C@@H](c1cccs1)N(C)C2=O ZINC000004760033 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC[C@H]1C)[C@@H](c1cccs1)N(C)C2=O ZINC000004760034 II Annotated Anodyne COc1ccccc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c12 ZINC000004760963 II Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5c(C)c(C)sc5nc34)CC2)c1C ZINC000004767701 II Annotated Anodyne COc1ccc(OC)c(CNC(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)c1 ZINC000004789063 II Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@@H](O)[C@@H](C)C/C=C/Cc2cccc(O)c2C(=O)O1 ZINC000004806079 II Annotated Anodyne Cc1ccc(NC(=O)Cc2noc(C[C@@H]3CCCN3C(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000045167497 II Annotated Anodyne Cc1ccc(NC(=O)Cc2noc(C[C@H]3CCCN3C(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000045167500 II Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(CCO)CC5)cc4)s3)[nH]c12 ZINC000045167907 II Annotated Anodyne O=C(NCCNc1noc(-c2sccc2Br)n1)c1ccc(Cl)cc1 ZINC000045168365 II Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](Nc1ccc(C#N)c2ccccc12)C(C)(C)C)c1ccc(O)cc1 ZINC000045187507 II Annotated Mild N[C@H]1CCN(CCNCc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1 ZINC000045187799 II Annotated Anodyne N[C@@H]1CCN(CCNCc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1 ZINC000045187802 II Annotated Anodyne CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000045188520 II Annotated Anodyne CC(C)c1ccc(OC[C@H](O)CN(C)[C@@H](C)[C@H](O)c2ccccc2)c(Br)c1 ZINC000045190955 II Annotated Anodyne Fc1ccc2nc(-c3cccc(-c4ccc(CNCCN5CCNCC5)cc4)c3)[nH]c2c1 ZINC000045191971 II Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCCN5CCNCC5)cc4)s3)nc12 ZINC000045192629 II Annotated Anodyne CCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000045193572 II Annotated Mild Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCCCNS(C)(=O)=O)c4)cc3)nc12 ZINC000045194580 II Annotated Anodyne CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000045194672 II Annotated Anodyne CCCO[C@H](C(=O)OC)[C@@H](CC1Cc2ccccc2C1)C(=O)NCCC1=CCCCC1 ZINC000045195237 II Annotated Anodyne O=C1COc2ccccc2N1CCN1CCC(NCc2ccc(-c3cccs3)cc2)CC1 ZINC000045201258 II Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(F)cc3)N=C(N)N(CCCc3ccccc3)C2=O)cc1 ZINC000045201330 II Annotated Anodyne COc1ccc(C[C@]2(c3ccc(F)cc3)N=C(N)N(CCCc3ccccc3)C2=O)cc1 ZINC000045201332 II Annotated Anodyne Fc1ccc2nc(-c3cccc(-c4cccc(CNCCN5CCNCC5)c4)c3)[nH]c2c1 ZINC000045202219 II Annotated Anodyne CC/N=C(/NCCCCCCN/C(=N/CC)NCc1ccccc1)NCc1ccccc1 ZINC000045227310 II Annotated Mild O=C(N1CCN(c2ccnc3cc4c(cc23)N(Cc2ccccc2)CC4)CC1)C(F)(F)F ZINC000045227421 II Annotated Anodyne COc1ccc2c(c1)S(=O)(=O)N=C(N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N2C ZINC000045229142 II Annotated Anodyne COc1ccc2c(c1)S(=O)(=O)N=C(N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)N2C ZINC000045229145 II Annotated Anodyne N#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)c3cc4cnccc4[nH]3)CC1)CC2 ZINC000045229294 II Annotated Mild Fc1ccc2nc(-c3ccc(-c4ccc(CNCCN5CCNCC5)cc4)s3)[nH]c2c1 ZINC000045229962 II Annotated Anodyne CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc5c(c4)CCCC5=O)cc23)CC1 ZINC000045230771 II Annotated Anodyne O=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 ZINC000045245911 II Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNCCC[C@@H]2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 ZINC000045253083 II Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNCCC[C@H]2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 ZINC000045253085 II Annotated Anodyne CCOC(=O)c1nocc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045253172 II Annotated Anodyne CCOC(=O)c1nocc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045253174 II Annotated Anodyne COC(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nc1 ZINC000045253569 II Annotated Anodyne COC(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nc1 ZINC000045253571 II Annotated Anodyne Cc1cc(C)cc(Oc2c(CN3CC=CC3)c(C)[nH]c(=O)c2I)c1 ZINC000045254161 II Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cncc3C)c(C)[nH]c(=O)c2I)c1 ZINC000045254916 II Annotated Anodyne CCCCC[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045255569 II Annotated Anodyne CCCCC[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045255573 II Annotated Anodyne CCCCC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045255583 II Annotated Anodyne CCCCC[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045255587 II Annotated Anodyne O=S(=O)(c1ccc(OC(F)F)cc1)N1c2ccc(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045256102 II Annotated Anodyne O=S(=O)(c1ccc(OC(F)F)cc1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045256106 II Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1cccc(OC(F)(F)F)c1)C2 ZINC000045256378 II Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OC(F)(F)F)c3)cc1)C2 ZINC000045256904 II Annotated Bother CCOC(=O)c1[nH]c2ccc(Br)cc2c1Cc1cc(O)c(OC)c(OC)c1 ZINC000045257112 II Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000045257216 II Annotated Anodyne CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(CO)cc2n1 ZINC000045259571 II Annotated Anodyne CC1(C)C=Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccnc(N)c3)CC4)c2O1 ZINC000045260392 II Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(OC(F)(F)F)c3)c1)C2 ZINC000045260849 II Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccccc1OC(F)(F)F)C2 ZINC000045261066 II Annotated Bother O=S(=O)(c1ncc(Cl)s1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045262118 II Annotated Anodyne O=S(=O)(c1ncc(Cl)s1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045262121 II Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000045283315 II Annotated Bother O=C1[C@@H](Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1 ZINC000045283519 II Annotated Anodyne O=C1[C@H](Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1 ZINC000045283521 II Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccccc3OC(F)(F)F)c1)C2 ZINC000045283616 II Annotated Bother C[C@@H]1c2c[nH]nc2-c2ccc(OC(=O)N(C)C)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045283630 II Annotated Anodyne C[C@H]1c2c[nH]nc2-c2ccc(OC(=O)N(C)C)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045283631 II Annotated Anodyne Cc1ccc(C(=O)NCC2=C[C@@H]3Oc4ccccc4C(=O)C3=CN2c2ncccc2C)cc1 ZINC000045284865 II Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3OC(F)(F)F)cc1)C2 ZINC000045286020 II Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(OC(F)(F)F)cc1)C2 ZINC000045286278 II Annotated Bother Cc1cccc(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c1 ZINC000045287146 II Annotated Anodyne CCCN[C@@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 ZINC000045287336 II Annotated Anodyne CCCN[C@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 ZINC000045287339 II Annotated Anodyne O=C(O)c1cncc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1 ZINC000045287801 II Annotated Clean CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000045288763 II Annotated Anodyne COc1ccc(-n2nccc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 ZINC000045290220 II Annotated Anodyne N#Cc1c(N2C(=O)c3ccccc3C2=O)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2 ZINC000045291272 II Annotated Mild O=C(O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(CCN2CCC[C@H]2C(=O)O)n1 ZINC000045299213 II Annotated Anodyne Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc(F)cc1 ZINC000045299758 II Annotated Mild Cc1ccccc1COc1cc(NC(=O)C2CCCCC2)ccc1N(C)S(C)(=O)=O ZINC000045300107 II Annotated Anodyne COc1cc(OC)c2c(OC(=O)c3cccc(I)c3)cc(C)nc2c1 ZINC000045300276 II Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)c1)C2 ZINC000045300301 II Annotated Bother CCc1nc2c(o1)C(=O)C(Nc1ccc(Br)cc1)=C(Br)C2=O ZINC000045300446 II Annotated Mild Cc1cc(C(=O)Nc2ccc3c(c2)CCN3[C@@H]2CCN(Cc3cccc4cc[nH]c34)C2)no1 ZINC000045301230 II Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)CCN3[C@H]2CCN(Cc3cccc4cc[nH]c34)C2)no1 ZINC000045301232 II Annotated Anodyne O=C(CCCn1c(SCc2ccccc2F)nc2ccccc2c1=O)N1CCCC1 ZINC000045302195 II Annotated Anodyne N#Cc1cnn(-c2nc(-c3ccccc3)nc3c2[C@H]2CCCN2C(=O)N3c2ccccc2)c1N ZINC000045302322 II Annotated Mild N#Cc1cnn(-c2nc(-c3ccccc3)nc3c2[C@@H]2CCCN2C(=O)N3c2ccccc2)c1N ZINC000045302323 II Annotated Mild O=C(N/C=N/c1cc([N+](=O)[O-])c(-c2ccncc2)n1-c1ccccc1)c1cccc(O)c1 ZINC000045302860 II Annotated Mild CCNC(=O)Nc1cn2c(-c3nc(C)cc(C(F)(F)F)n3)cc(-c3cccnc3)cc2n1 ZINC000045302898 II Annotated Anodyne Fc1ccc([C@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045302971 II Annotated Anodyne Fc1ccc([C@@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045302972 II Annotated Anodyne O=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 ZINC000045314980 II Annotated Anodyne CC(C)(C)c1ccc(-n2ncc3c(NC(=O)c4ccc5c(c4)no[n+]5[O-])cccc32)cc1 ZINC000045315566 II Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1 ZINC000045316504 II Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)s1)C2 ZINC000045317003 II Annotated Bother CN(C)CCCN(C)c1cccc2c1nc(-c1cccnc1)n2CCNCc1ccccc1 ZINC000045318253 II Annotated Anodyne COC(=O)[C@@H](NC(=O)c1cc(CSc2nc3ccccc3s2)on1)c1ccccc1 ZINC000045318665 II Annotated Anodyne c1ccc2c(c1)CN(CC1CCOCC1)CC1(CCN(Cc3c[nH]c4cnccc34)CC1)O2 ZINC000045323230 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cn1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045334808 II Annotated Anodyne COc1cc2nc(NCCn3nc(C)cc3C)nc(NCCc3ccccc3)c2cc1OC ZINC000045334866 II Annotated Anodyne Cc1cc(S(=O)(=O)/N=C(\O)Nc2ncc(Br)s2)sc1CC(C)C ZINC000045335717 II Annotated Mild NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 ZINC000045335993 II Annotated Anodyne C=CCN1C(=O)/C(=C\c2cc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)C(O)=NC1=S ZINC000045336049 II Annotated Mild Cc1ccc(C(=O)C(=C2NCCN2)c2c(Cl)c(Cl)c(C#N)c(Cl)c2C#N)cc1 ZINC000045336544 II Annotated Mild CCN1C(N2CCCCC2)=Nc2ccccc2[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000045337389 II Annotated Bother CCN1C(N2CCCCC2)=Nc2ccccc2[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000045337391 II Annotated Bother COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O ZINC000045338324 II Annotated Anodyne C=CCn1c2ccc(C)cc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21 ZINC000045338693 II Annotated Mild Cc1cc(CNCCO)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12 ZINC000045350400 II Annotated Anodyne C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000045350442 II Annotated Mild C[C@H]1/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000045350445 II Annotated Mild C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000045350448 II Annotated Mild CCC(=O)N1CCC(n2cc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)CC1 ZINC000045351387 II Annotated Anodyne N#Cc1c(F)c(C#N)c(C(C(=O)c2ccccc2)=C2NCCN2)c(F)c1Nc1ccccc1 ZINC000045352163 II Annotated Mild COc1ccc(C2=C(c3ccco3)/C(=C/c3ccc(/C=C/C(=O)O)o3)NC2=O)cc1OC ZINC000045352748 II Annotated Anodyne Clc1c(Cl)c(I)c2[nH]cnc2c1I ZINC000045353813 II Annotated Anodyne COc1ccc(-c2c3cc(OC)c(OC)cc3cc(=O)n2NC(=O)OC(C)(C)C)cc1 ZINC000045354253 II Annotated Anodyne O=C1CNC(=S)N1N=C1C[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)C1 ZINC000045355622 II Annotated Mild O=C1CNC(=S)N1N=C1C[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)C1 ZINC000045355626 II Annotated Mild O=C1CNC(=S)N1N=C1C[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)C1 ZINC000045355630 II Annotated Mild O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C2CCCCC2)cc1 ZINC000045357422 II Annotated Anodyne O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)c2[nH]1 ZINC000045364573 II Annotated Anodyne O=c1[nH]c2cccc(Oc3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)c2[nH]1 ZINC000045364577 II Annotated Anodyne NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1 ZINC000045364609 II 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@@]12C ZINC000045367219 II Annotated Mild COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CN1CC(c1ccccc1)c1ccccc1 ZINC000045368352 II Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2cccc(F)c2c1=O ZINC000045368511 II Annotated Anodyne O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045369173 II Annotated Anodyne COc1ccc(C(=O)C(=C2NCCN2)c2c(Cl)c(Cl)c(C#N)c(Cl)c2C#N)cc1 ZINC000045369476 II Annotated Mild N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OCc5cc(F)cc(F)c5)ccc41)[C@@H]32 ZINC000045371576 II Annotated Mild COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3C(=O)C[C@H]21 ZINC000045372407 II Annotated Anodyne c1ccc(C[C@H]2CN(c3ccc4ccccc4c3)CCN2CCNC[C@@H]2CCCO2)cc1 ZINC000045372460 II Annotated Anodyne N#Cc1c(F)c(Cl)c(C(C(=O)c2ccc(F)cc2)=C2NCCCCN2)c(C#N)c1F ZINC000045374470 II Annotated Mild Cc1ccc2nc(/N=C3\C(=O)N(CN4CCOCC4)c4cccc(Cl)c43)sc2c1 ZINC000045387135 II Annotated Mild CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(Cl)cc2[C@]3(O)c2ccccc2)CC1 ZINC000045388103 II Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(Cl)cc2[C@@]3(O)c2ccccc2)CC1 ZINC000045388107 II Annotated Anodyne Cc1ccc2nc(/N=C3\C(=O)N(CN(C)C)c4cccc(Br)c43)sc2c1 ZINC000045389921 II Annotated Mild CC(=O)OCc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1COC(C)=O)OCO3 ZINC000045391530 II Annotated Anodyne Clc1c(I)c(Cl)c2nc[nH]c2c1I ZINC000045392790 II Annotated Anodyne CCCCn1c(=O)c2ccc(NCCN(C)C)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000045484186 II Annotated Bother Cc1cccc(OCC(=O)NCC2CN(Cc3ccn(-c4ccc(C(C)(C)C)cn4)c3)C2)c1 ZINC000045497462 II Annotated Anodyne CN(C)CCCNc1nc2cc(OCCCN(C)C)ccc2c2c1C(=O)c1ccccc1-2 ZINC000045498390 II Annotated Anodyne c1ccc2c(c1)SCCc1c-2n(CCc2nnn(CCN3CCCC3)n2)c2ccccc12 ZINC000045505943 II Annotated Anodyne COc1ccc(CCCC(=O)N[C@@H](N/C(=N/C#N)Nc2ccccc2C)C(C)(C)C)cc1 ZINC000045506175 II Annotated Mild COc1ccc(CCCC(=O)N[C@H](N/C(=N/C#N)Nc2ccccc2C)C(C)(C)C)cc1 ZINC000045506178 II Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCCc2ccccc2)=CC(=O)C[C@H]1C ZINC000045506507 II Annotated Mild O=S(=O)(c1ccccc1)c1cc2c(nc1O)-c1cnn(-c3cccc(Cl)c3)c1CC2 ZINC000473081312 II Annotated Anodyne CCC[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473081493 II Annotated Reactive CCC[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473081553 II Annotated Reactive CC(C)[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473082028 II Annotated Reactive CC(C)[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473082029 II Annotated Reactive O=S(=O)(c1ccccc1)c1cc2c(nc1O)-c1cnn(-c3ccc(Cl)cc3)c1CC2 ZINC000473082647 II Annotated Anodyne O=C(Nc1ccc(F)cc1Cl)c1ccn(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000473083626 II Annotated Anodyne Cn1cc(-c2cncc(Oc3cccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)c3)n2)cn1 ZINC000473083940 II Annotated Anodyne O=S(=O)(c1ccccc1)c1cc2c(nc1O)-c1cnn(-c3ccccc3Cl)c1CC2 ZINC000473085077 II Annotated Anodyne Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccc3c(cnn3-c3ccc(Cl)cc3)c21 ZINC000473085527 II Annotated Anodyne CC(C)(O)CCc1c(O)cc(O)c2c1O[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)CC2=O ZINC000473085862 II Annotated Anodyne CC(=O)Nc1cccc(CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccccc2)c1 ZINC000473095903 II Annotated Anodyne CC(=O)Nc1cccc(CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccccc2)c1 ZINC000473095906 II Annotated Anodyne C/C(=C\Cc1c(O)cc(O)c2c1C[C@@H](C)OC2=O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000473096860 II Annotated Anodyne C/C(=C\Cc1c(O)cc(O)c2c1C[C@@H](C)OC2=O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000473096862 II Annotated Anodyne COc1ccc(-c2ccc(CCCNc3ccc(CN4CCC[C@H](O)C4)cc3)nn2)cc1 ZINC000473097986 II Annotated Anodyne COc1ccc(-c2ccc(CCCNc3ccc(CN4CCC[C@@H](O)C4)cc3)nn2)cc1 ZINC000473097995 II Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)C1=O ZINC000473098052 II Annotated Clean CN(C(=O)c1cc(-c2ccccn2)[nH]n1)c1ccc(OCB2C=Cc3ccccc3N2)cc1 ZINC000473102990 II Annotated Anodyne CC(=O)Oc1ccn2cc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)nc2c1 ZINC000473105977 II Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)C1=O ZINC000473107133 II Annotated Clean N#Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1 ZINC000473107207 II Annotated Mild CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)C1=O ZINC000473108844 II Annotated Clean C#C[C@H](O)C#CCCCCCCCCCCc1cn(-c2cc3ccc(O)cc3oc2=O)nn1 ZINC000473115325 II Annotated Mild Cc1ccccc1N1CCOc2cnc(NC3CCN(c4ccnc(Cl)c4)CC3)nc21 ZINC000473117373 II Annotated Anodyne O=C(O)c1cccc(CN(C(=O)c2cnc3ccccc3c2)[C@H](CO)c2ccccc2)c1 ZINC000473118589 II Annotated Anodyne C/N=C1/N[C@H](c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)CN1C(=O)OC(C)(C)C ZINC000473119069 II Annotated Mild C/N=C1/N[C@@H](c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)CN1C(=O)OC(C)(C)C ZINC000473119072 II Annotated Mild CN1CCN(c2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc(C(N)=O)n3)cc2C1 ZINC000473120545 II Annotated Anodyne COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)CN1CCCC[C@H]1C3 ZINC000473121477 II Annotated Bother COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)CN1CCCC[C@@H]1C3 ZINC000473121484 II Annotated Bother O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(F)c2C(=O)O1 ZINC000473123471 II Annotated Mild Cc1nc(C)c(CN=c2[nH]c(OCCCc3cn4ccccc4n3)nc(Cl)c2C)s1 ZINC000473123783 II Annotated Anodyne COc1ccc(C2=C(c3ccc(NS(C)(=O)=O)cc3)CN3CCCC[C@H]3C2)cc1OC ZINC000473124133 II Annotated Anodyne COc1ccc(C2=C(c3ccc(NS(C)(=O)=O)cc3)CN3CCCC[C@@H]3C2)cc1OC ZINC000473124134 II Annotated Anodyne O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cc(F)ccc2C(=O)O1 ZINC000473124757 II Annotated Mild CC(C)=C[C@H](C)C[C@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)C=C(Cl)C1=O ZINC000473126432 II Annotated Mild COc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(-c4ccccc4)nc3=O)o2)cc1 ZINC000473127359 II Annotated Anodyne COc1cccc(-c2nnc(Cn3nc(-c4ccccc4)c(-c4ccccc4)nc3=O)o2)c1 ZINC000473130916 II Annotated Anodyne N#Cc1ccc2c(c1)CN(CC[C@@H]1CC[C@@H](NC(=O)c3cc4cccnc4[nH]3)CC1)CC2 ZINC000473131320 II Annotated Mild O=[N+]([O-])c1cc(CSc2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1 ZINC000473133985 II Annotated Bother O=[N+]([O-])c1cc(CSc2nnnn2Cc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000473134054 II Annotated Bother CC1=C(C(N)=O)[C@H](c2ccc(CC(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135278 II Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(CC(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135279 II Annotated Anodyne O=S(=O)(N[C@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccc(F)cc1 ZINC000473135992 II Annotated Anodyne O=S(=O)(N[C@@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccc(F)cc1 ZINC000473135993 II Annotated Anodyne CCSc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473136205 II Annotated Anodyne CCSc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473136206 II Annotated Anodyne C[S@@](=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cc23)cc1 ZINC000473151822 II Annotated Anodyne C[S@](=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cc23)cc1 ZINC000473151823 II Annotated Anodyne Clc1cc(CN=c2nn[nH][nH]2)cc(OCCCc2ccccc2)c1OCc1ccccc1 ZINC000473152458 II Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2nc(-c3nc(C(N)=O)cs3)cs2)cs1 ZINC000473152912 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2nc(-c3nc(C(N)=O)cs3)cs2)cs1 ZINC000473152913 II Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)c2cccn2-c2ccccc2)cc1Cl ZINC000473153911 II Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)N[C@H]2CCCc3ccccc32)cc1Cl ZINC000473154467 II Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1 ZINC000473156129 II Annotated Bother Cc1ccc(S(=O)(=O)N[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1 ZINC000473156134 II Annotated Bother CC(C)COc1ncc(-c2cncc3cc4c(NS(C)(=O)=O)noc4cc23)cc1Cl ZINC000473156207 II Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3c[nH]c4nccc-4c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164848 II Annotated Anodyne COc1ccc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3n2)cc1 ZINC000473164942 II Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473164950 II Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1cc2sccc2[nH]1 ZINC000473164960 II Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](O)CC1 ZINC000473165209 II Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N/N=C\c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000473168086 II Annotated Reactive Cc1noc(-c2ccccc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cnc4ccccc4n2)C3)n1 ZINC000473170649 II Annotated Anodyne CN(C1CCC1)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000473170699 II Annotated Mild CN(C1CCC1)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000473170701 II Annotated Mild CCN(C1CCC1)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000473170819 II Annotated Mild CCN(C1CCC1)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000473170827 II Annotated Mild O=C(c1cccc(F)c1-c1ncco1)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000473179401 II Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1 ZINC000473179607 II Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(Br)cn1)C2 ZINC000473180264 II Annotated Anodyne COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(Br)cn1)C2 ZINC000473180282 II Annotated Anodyne Cc1ccc(-c2ncccc2C)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180309 II Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(C(F)(F)F)cn1)C2 ZINC000473180361 II Annotated Anodyne CC(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473182996 II Annotated Anodyne CCC(=O)N(C)[C@@H]1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473182997 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C ZINC000473183127 II Annotated Anodyne CCCC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473183377 II Annotated Anodyne CC(C)(C)c1ccc2c(c1O)C[C@H]1N(C(=O)[C@@H]3CC[C@H](C(N)=O)CC3)CC[C@]2(C)C1(C)C ZINC000473183390 II Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)ccc1O ZINC000473194434 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473200822 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473200830 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473200925 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473200927 II Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N)CC2 ZINC000473201065 II Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N)CC2 ZINC000473201066 II Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@@H](N)CC2 ZINC000473201092 II Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@@H](N)CC2 ZINC000473201094 II Annotated Anodyne NC1=C[C@@](CF)(c2cc(N=c3[nH]ccc4cc(Cl)cnc34)cc(F)c2F)[C@@H]2C[C@@H]2O1 ZINC000473213441 II Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc4nc[nH]c4c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473213495 II Annotated Anodyne C[S@@](=O)c1c[nH]c2ccc(-c3ccc(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215403 II Annotated Anodyne C[S@](=O)c1c[nH]c2ccc(-c3ccc(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215408 II Annotated Anodyne C[S@](=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215478 II Annotated Anodyne C[S@@](=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215479 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473243800 II Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)CC1 ZINC000473244440 II Annotated Anodyne N#Cc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1 ZINC000473244942 II Annotated Mild CCN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473245138 II Annotated Anodyne CCCNC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473245158 II Annotated Anodyne CC(C)(C)NC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473245234 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473245329 II Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)c3ccc(OC)cc3)[C@H]12 ZINC000473247195 II Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@H]4C(=C(C)C)[C@H]5O[C@@]6(O)CCC(=O)[C@H]4[C@@H]6[C@@]53CC[C@@H]12 ZINC000473247218 II Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)c3ccccc3F)[C@H]12 ZINC000473247706 II Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]12 ZINC000473247762 II Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)c3cccc(F)c3)[C@H]12 ZINC000473247988 II Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)c3ccc(F)cc3)[C@H]12 ZINC000473248207 II Annotated Mild CNCCN(C)Cc1c[nH]nc1-c1cc(OCCc2ccccc2)cc(C(F)(F)F)c1 ZINC000474603534 II Annotated Anodyne Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(C)CC3)c3ccccc23)c(O)n1 ZINC000474608443 II Annotated Anodyne Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(C(=O)N(C)C)cc1 ZINC000049018220 II Annotated Anodyne CC(=O)Cc1cc(O)cc2oc(C[C@]3(C)Cc4nc(C)cc5cc(O)cc(c45)O3)cc(=O)c12 ZINC000049018974 II Annotated Anodyne CC(=O)Cc1cc(O)cc2oc(C[C@@]3(C)Cc4nc(C)cc5cc(O)cc(c45)O3)cc(=O)c12 ZINC000049018978 II Annotated Anodyne CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 ZINC000049032402 II Annotated Anodyne N[C@H](CNc1ncc(-c2ccc3c(c2)CNC3=O)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000049033704 II Annotated Anodyne Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049035072 II Annotated Clean O=C(O)CCO[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000049035269 II Annotated Anodyne CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049036391 II Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C12CCCC2 ZINC000049037651 II Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C12CCCC2 ZINC000049037653 II Annotated Anodyne O=C(O)CN(/N=C/c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl ZINC000049045725 II Annotated Reactive NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2C[C@H]1CCCCC[C@H]1O ZINC000049045887 II Annotated Anodyne COc1cc(CC/C=C/C(=O)CCc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000049052812 II Annotated Mild O=C1C=CC(=O)c2c1ncn2C[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049053317 II Annotated Mild CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(O)cc2O)NC(NCc2ccccc2)=N1 ZINC000049068096 II Annotated Clean CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(O)cc2O)NC(NCc2ccccc2)=N1 ZINC000049068098 II Annotated Clean COC(C)(C)/C=C/C[C@@]1(C)CC=C(CO)C(=O)[C@@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000049068259 II Annotated Mild COC(C)(C)/C=C/C[C@@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000049068261 II Annotated Mild Cc1nn(-c2ccccc2)c2nc3nc4sc5nc6ccccc6nc5n4c(=O)c3cc12 ZINC000049068290 II Annotated Bother CCOC(=O)CCNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049070143 II Annotated Anodyne CCOC(=O)CCNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049070146 II Annotated Anodyne CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(O)c(C(C)(C)C)c1 ZINC000049070652 II Annotated Reactive COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3 ZINC000049071457 II Annotated Bother COc1cc(OC)c(C(=O)c2ccccc2Br)c(O)c1CN1CCCCC1 ZINC000049072317 II Annotated Clean C[C@H](Nc1nccc(N(CCCCO)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 ZINC000049072825 II Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=NN(C(=S)Nc2ccccc2)[C@H](c2cccnc2)C1 ZINC000049088189 II Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2cccnc2)C1 ZINC000049088190 II Annotated Anodyne COC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccc(Cl)cc2C)O3)C1 ZINC000049089071 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H](C2CC2)C(F)(F)c2[nH]ncc2[C@H]1C1CC1 ZINC000049089415 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H](C2CC2)c2cn[nH]c2C(F)(F)[C@@H]1C1CC1 ZINC000049089416 II Annotated Anodyne Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000049089885 II Annotated Clean Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000049109760 II Annotated Clean O=C(O)Cn1cc([C@@H]2c3ccccc3S(=O)(=O)N2Cc2ccccc2)c2ccccc21 ZINC000049110576 II Annotated Anodyne O=C(O)Cn1cc([C@H]2c3ccccc3S(=O)(=O)N2Cc2ccccc2)c2ccccc21 ZINC000049110578 II Annotated Anodyne O=C(O)CO[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000049110630 II Annotated Anodyne O=C(O)Cn1cc([C@@H]2c3ccccc3S(=O)(=O)N2CCc2ccccc2)c2ccccc21 ZINC000049112238 II Annotated Anodyne O=C(O)Cn1cc([C@H]2c3ccccc3S(=O)(=O)N2CCc2ccccc2)c2ccccc21 ZINC000049112239 II Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccnc3c2c(/C=C2\Oc4cccc(O)c4C2=O)cn3C)cc1 ZINC000049112563 II Annotated Mild COc1ccc(C[C@@]2(C(=O)OCc3ccccc3)CCCN2C(C)=O)cc1C(F)(F)F ZINC000049112968 II Annotated Anodyne COc1ccc(C[C@]2(C(=O)OCc3ccccc3)CCCN2C(C)=O)cc1C(F)(F)F ZINC000049112969 II Annotated Anodyne O=C(Nn1c(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)n[nH]c2c1=O)c1ccccc1 ZINC000049113817 II Annotated Anodyne C[C@@H]1CN(CC[C@H](O)c2csc3ccc(F)cc23)CCN1c1cccc2c1OCO2 ZINC000049114015 II Annotated Anodyne C[C@H]1CN(CC[C@H](O)c2csc3ccc(F)cc23)CCN1c1cccc2c1OCO2 ZINC000049114018 II Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000049114313 II Annotated Reactive O=C(O)Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000049589365 II Annotated Bother C[C@]1(CC(=O)NCc2cccc(I)c2)CC2(CCCCC2)OO1 ZINC000049680264 II Annotated Reactive C[C@@]1(CC(=O)NCc2cccc(I)c2)CC2(CCCCC2)OO1 ZINC000049680266 II Annotated Reactive CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](c2ccc(C(C)(C)C)cc2)C1=O ZINC000049707676 II Annotated Anodyne CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](c2ccc(C(C)(C)C)cc2)C1=O ZINC000049707679 II Annotated Anodyne CCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O ZINC000049762995 II Annotated Mild COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)C2 ZINC000049783667 II Annotated Anodyne CC1=C(C(=O)NCc2cc(F)cc(F)c2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000049784179 II Annotated Reactive C=CCn1nc(C(=O)NCc2ccccc2)cc1-c1sc(NC(=O)C(C)(C)C)nc1C ZINC000049784369 II Annotated Mild O=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1c(F)cccc1F ZINC000049792463 II Annotated Anodyne Cc1ccc(S(=O)(=O)C#C[C@H](O/C=C/S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000049793009 II Annotated Mild Cc1ccc(S(=O)(=O)C#C[C@@H](O/C=C/S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000049793010 II Annotated Mild CCCCNc1nc(NCCCC)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049799588 II Annotated Anodyne C[C@@]12C[C@H](n3cnc4c(Cl)ncnc43)[C@@](C)(C[C@@H]1n1cnc3c(Cl)ncnc31)C2 ZINC000049803127 II Annotated Anodyne CCC(=S)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000049803421 II Annotated Anodyne O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000049807945 II Annotated Anodyne Cc1cc(=O)oc2c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(OC(C)C)ccc12 ZINC000049808475 II Annotated Anodyne CN1CCN(c2ccc(-c3cnc4c(c3)[C@@H](Cc3cc(F)ccc3F)CCN4)cn2)CC1 ZINC000049808509 II Annotated Anodyne CN1CCN(c2ccc(-c3cnc4c(c3)[C@H](Cc3cc(F)ccc3F)CCN4)cn2)CC1 ZINC000049808510 II Annotated Anodyne Cn1c2ccccc2c2nnc(Sc3nc(NC(C)(C)C)nc(NC(C)(C)C)n3)nc21 ZINC000049820400 II Annotated Anodyne COC(=O)[C@@H]1CN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CCC1=O ZINC000049841591 II Annotated Anodyne COC(=O)[C@H]1CN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CCC1=O ZINC000049841592 II Annotated Anodyne CN(C)C1=Nc2ccccc2[C@H](CC(=O)NCc2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000049844827 II Annotated Bother in-vivo CN(C)C1=Nc2ccccc2[C@@H](CC(=O)NCc2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000049844828 II Annotated Bother in-vivo COc1cc(OS(=O)(=O)C(F)(F)F)cc2c1CN(Cc1ccccc1)C(C)(C)C2 ZINC000049877817 II Annotated Unstable CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1cccc2ccccc12 ZINC000049916493 II Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1noc(-c2ccc(CN3CCCCCC3)s2)n1 ZINC000000580796 II Annotated Anodyne CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000000581883 II Annotated Anodyne CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000000581890 II Annotated Anodyne O=C(CN1c2c(sc3ccccc23)C(=O)NS1(=O)=O)c1ccc(-c2ccccc2)cc1 ZINC000000587600 II Annotated Anodyne CCN(CC)C(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2 ZINC000000591494 II Annotated Anodyne O=C(c1ccccc1Cl)c1c(NC(=O)C2CC2)sc2c1CCN(C(=O)C1CC1)C2 ZINC000000591498 II Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000000597307 II Annotated Anodyne Cc1cc(-c2c(F)cc3c4nn(CCN(C)C)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 ZINC000000598539 II Annotated Anodyne O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1 ZINC000000600528 II Annotated Anodyne in-vivo CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 ZINC000000601172 II Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CC[C@H]3C)sc2n1 ZINC000000753830 II Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)sc2n1 ZINC000000753831 II Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000756326 II Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000756327 II Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000756328 II Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000756329 II Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758437 II Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758438 II Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758502 II Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758503 II Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758504 II Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758505 II Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760708 II Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760709 II Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760710 II Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760711 II Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760716 II Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760717 II Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760718 II Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760719 II Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000763053 II Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000763054 II Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763277 II Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763278 II Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000000766644 II Annotated Anodyne Oc1nc2ccc(N3CCC(O)(Cc4ccccc4)CC3)nc2nc1Cc1ccc(F)cc1 ZINC000000766687 II Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)CC1 ZINC000000766696 II Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000000767049 II Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000000767051 II Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)c1OC ZINC000000767236 II Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)c1OC ZINC000000767238 II Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000000767244 II Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000000767246 II Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)c1OC ZINC000000767428 II Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)c1OC ZINC000000767430 II Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)c1 ZINC000000767432 II Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)c1 ZINC000000767434 II Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000000767436 II Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000000767438 II Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000767621 II Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000000767817 II Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc1OC ZINC000000767819 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000767858 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767980 II Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000000768546 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000768569 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000768570 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000768598 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000768599 II Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000000768651 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000000768660 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000768970 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000768972 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000769042 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000769044 II Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000769083 II Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000769085 II Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N(C)C ZINC000000769203 II Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N(C)C ZINC000000769205 II Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000000769224 II Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000769303 II Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000769304 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000000769378 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769469 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769471 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769516 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769518 II Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769770 II Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769771 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769834 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769836 II Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)cc1 ZINC000000769925 II Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)cc1 ZINC000000769927 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770010 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770012 II Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000000770018 II Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000000770020 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770217 II Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770219 II Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000000770225 II Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000000770227 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000000770433 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@@H](O)CC ZINC000000770434 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000000770491 II Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000770612 II Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000770613 II Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000770614 II Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000770615 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N1CCOCC1 ZINC000000770834 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CCOCC1 ZINC000000770836 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770974 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770975 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770976 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770977 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771014 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000771015 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771016 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000771017 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771396 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771398 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771496 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771498 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771529 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N(C)C ZINC000000771575 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N(C)C ZINC000000771577 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N(C)C ZINC000000771697 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N(C)C ZINC000000771699 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771718 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000000771908 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000000771910 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000772046 II Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000772076 II Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000000772137 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000772443 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000772445 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000772515 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000772517 II Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000772556 II Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000772558 II Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N(C)C ZINC000000772674 II Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N(C)C ZINC000000772676 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772695 II Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000772774 II Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000772775 II Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000772911 II Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000772912 II Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772937 II Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772952 II Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772953 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000772996 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772998 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000000773156 II Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCC(C)(C)CO ZINC000000773197 II Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCC(C)(C)CO ZINC000000773199 II Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773250 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000773296 II Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773298 II Annotated Anodyne O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773375 II Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773629 II Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773630 II Annotated Bother CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773703 II Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC ZINC000000773750 II Annotated Bother CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773831 II Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000773835 II Annotated Bother COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000774125 II Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000774126 II Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NC(C)C)cc1 ZINC000000774334 II Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC(C)C)cc1 ZINC000000774439 II Annotated Bother O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 ZINC000000774863 II Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 ZINC000000774864 II Annotated Anodyne O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774961 II Annotated Bother COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775203 II Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775204 II Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775215 II Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775216 II Annotated Bother CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775289 II Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC ZINC000000775336 II Annotated Bother CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775418 II Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000775422 II Annotated Bother CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F ZINC000000775825 II Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)(C)CO ZINC000000775867 II Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1ccccc1F ZINC000000775970 II Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000775978 II Annotated Bother CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776119 II Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776120 II Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776825 II Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776826 II Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776827 II Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776828 II Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000776949 II Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000000776972 II Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000000776973 II Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000000776974 II Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000000776975 II Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC ZINC000000776981 II Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC ZINC000000776982 II Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC ZINC000000776983 II Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC ZINC000000776984 II Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789111 II Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789113 II Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789114 II Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789116 II Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000000790683 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000791456 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000791484 II Annotated Anodyne CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(CNC(=O)OC)ccc1c32 ZINC000000838526 II Annotated Bother O=C(NC[C@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000867014 II Annotated Anodyne Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(-c3ccc(Br)cc3)n2n1 ZINC000000988004 II Annotated Anodyne CC(C)(C)[C@@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000050664275 II Annotated Anodyne CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccc1C(F)(F)F ZINC000052596043 II Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@H](C)C[C@H](OC(C)(C)C(=C)C)/C=C(/C)[C@@H](O)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000525915075 II Annotated Mild COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)nn4C)n3)CC2(C)C)cc1 ZINC000053193528 II Annotated Clean CN(C)c1ccc(/C=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)cc1 ZINC000053229069 II Annotated Reactive O=C(CBr)N(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000053229868 II Annotated Reactive CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc4ccccc4c3)c2C1)c1ccccc1 ZINC000053242670 II Annotated Anodyne CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12 ZINC000053276539 II Annotated Anodyne C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000053295293 II Annotated Reactive Cc1ccc(Cn2ccc3c2-c2[nH]c(=O)c(S(=O)(=O)c4ccccc4)cc2CC3)cc1 ZINC000053297200 II Annotated Anodyne COc1ccc(/C=N/n2c(CCNc3nc4ccccc4s3)n[nH]c2=S)cc1OC ZINC000053298713 II Annotated Mild COc1ccccc1-c1cn(-c2ccc(O)c(C(=O)OCCCc3ccccc3)c2)nn1 ZINC000053312310 II Annotated Anodyne CN(C)C(=O)OC1=C(c2cccc3ccccc23)Oc2cc(C(=O)O)ccc2-[n+]2cc[cH-]c21 ZINC000053650972 II Annotated Anodyne CN1c2ccccc2N(C)C23N(C)c4ccccc4N(C)C12N(C)c1ccccc1N3C ZINC000005549804 II Annotated Anodyne N/C(=N/S(=O)(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000005579365 II Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccco3)C2)cc1 ZINC000005579438 II Annotated Bother COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC ZINC000005580285 II Annotated Reactive CNc1ccc2c(c1)N(C(=O)c1cc3cc(OC)c(OC)c(OC)c3[nH]1)C[C@H]2CCl ZINC000005580287 II Annotated Reactive COC(=O)[C@@H](Nc1ccccc1)[C@@]1(C(=O)OC)SC12c1ccccc1-c1ccccc12 ZINC000005596279 II Annotated Anodyne O=c1oc2ccccc2c(Nc2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c1[N+](=O)[O-] ZINC000005597013 II Annotated Bother CCOC(=O)C[C@H]1Nc2ccccc2[C@]12CCc1c([nH]c3ccccc13)[C@@H]2C(=O)OCC ZINC000005597124 II Annotated Anodyne CCOC(=O)C[C@@H]1Nc2ccccc2[C@]12CCc1c([nH]c3ccccc13)[C@@H]2C(=O)OCC ZINC000005597125 II Annotated Anodyne CCOC(=O)C[C@H]1Nc2ccccc2[C@@]12CCc1c([nH]c3ccccc13)[C@@H]2C(=O)OCC ZINC000005597126 II Annotated Anodyne CCOC(=O)C[C@@H]1Nc2ccccc2[C@@]12CCc1c([nH]c3ccccc13)[C@@H]2C(=O)OCC ZINC000005597127 II Annotated Anodyne COc1ccccc1NC(=O)CC(=O)n1nc(C)c(/N=N/c2ccccc2C(=O)O)c1C ZINC000005809866 II Annotated Clean C=CC[C@@]1([C@H](C)[C@@H](OC(C)=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H](OC)CCC1=O ZINC000005811340 II Annotated Mild CC1(C)Oc2ccccc2N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]21c1ccccc1 ZINC000005811706 II Annotated Anodyne COC(=O)[C@@H]1CSC(=S)N1C(=O)C[C@H]1CC=CC[C@H]1CC(=O)Sc1ccccc1 ZINC000005812540 II Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c(OC)c1OC ZINC000005822620 II Annotated Reactive C[N+](C)(CCNC(=O)c1cccc2cc3ccccc3nc12)Cc1ccc([N+](=O)[O-])s1 ZINC000005822966 II Annotated Bother C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)[C@@H](C=C(C)C)OC(C)=O)[C@@]12C(=O)Oc1ccccc1C2=O ZINC000005846912 II Annotated Anodyne Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2 ZINC000005852570 II Annotated Bother COc1ccc([C@@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1OC ZINC000005852588 II Annotated Anodyne Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc3ccccc3c1O)SC(N)=N2 ZINC000005852689 II Annotated Anodyne O=S(=O)(CCC[C@H]1[C@@H](CCOCc2ccccc2)[C@@H]2CCCN1O2)c1ccccc1 ZINC000005856103 II Annotated Anodyne O=S(=O)(CCC[C@H]1[C@@H](CCOCc2ccccc2)[C@H]2CCCN1O2)c1ccccc1 ZINC000005856106 II Annotated Anodyne COc1cc(/C=N/Nc2nnc3c4ccccc4c4ncccc4c3n2)cc(OC)c1OC ZINC000005856461 II Annotated Mild COc1ccc(/C=N/Nc2nc(-c3cc4oc(=O)n(C)c4cc3Cl)cs2)cc1OC ZINC000005891633 II Annotated Mild C/C=C\[C@@H](CC(=O)NCC[C@@H]1CN(C(=O)c2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923548 II Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@@H]1CN(C(=O)c2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923551 II Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@H]1CN(C(=O)c2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923554 II Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@H]1CN(C(=O)c2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923557 II Annotated Anodyne O=C(Nc1ccc2ncccc2c1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000005983626 II Annotated Anodyne OC1=N[C@H](CN(Cc2ccccn2)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000055200209 II Annotated Anodyne OC1(c2ccc3c(c2)CN(Cc2ccccn2)CCO3)CCN(c2ccccc2F)CC1 ZINC000055370650 II Annotated Anodyne C[n+]1ccc(Nc2ccc(Sc3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000055840230 II Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](/C=C\C(F)(F)F)C2 ZINC000058480547 II Annotated Anodyne Cc1ccc(N2CCN(CCNCc3ccc(F)cc3)[C@@H](Cc3ccc(O)cc3)C2)cc1 ZINC000058482665 II Annotated Anodyne COCCN1[C@@H](C)CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H]1C ZINC000058487380 II Annotated Anodyne O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc(Br)cc1 ZINC000058498725 II Annotated Anodyne Oc1cc(O)c(-n2c(O)nc3cc(CNS(O)(O)c4cccnc4)ccc32)cc1Cl ZINC000584905032 II Annotated Anodyne Cc1noc(COc2cccc(F)c2F)c1-c1ccc(CNS(=O)(=O)C2(C)CC2)cc1 ZINC000584905101 II Annotated Anodyne CN(c1ccccc1)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905636 II Annotated Anodyne CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O ZINC000058506711 II Annotated Bother C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](C[C@H](O)c2ccccc2)S1(=O)=O ZINC000058511356 II Annotated Anodyne O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccc(Br)s1 ZINC000058511460 II Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](C[C@@H](O)c2ccccc2)S1(=O)=O ZINC000058511849 II Annotated Anodyne O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccccc1OC(F)(F)F ZINC000058519628 II Annotated Anodyne N#C/C(=N\OCc1ccccc1)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000058523752 II Annotated Mild CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000058528484 II Annotated Anodyne COc1cc(F)ccc1[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000058534556 II Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H](C2CC2)c2cn[nH]c2C(F)(F)[C@H]1C1CC1 ZINC000058538169 II Annotated Anodyne Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCNCC4)c(C(F)(F)F)c3)cc21 ZINC000058541061 II Annotated Mild CC(C)CN(NC(=O)C1(c2ccccc2)CCCC1)c1nc(C#N)ncc1Br ZINC000058554415 II Annotated Reactive CC[C@@H](C)CCC[C@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12 ZINC000058566725 II Annotated Bother CC(C)CN(NC(=O)c1ccc(-c2ccccc2)o1)c1nc(C#N)ncc1Br ZINC000058568812 II Annotated Reactive Cc1ccc2sc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2c1 ZINC000058580972 II Annotated Reactive COC1=N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@@H](C)c1ccc(F)cc1 ZINC000058581136 II Annotated Anodyne CCN(c1ccc(C(=O)O)cn1)c1ccc2c(C(F)(F)F)cc(=O)n(CC(C)C)c2n1 ZINC000058581582 II Annotated Anodyne CC(C)CN(NC(=O)c1ccc2sccc2c1)c1nc(C#N)ncc1Br ZINC000058581646 II Annotated Reactive C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000058581675 II Annotated Reactive C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 ZINC000058582007 II Annotated Reactive CCc1ccc(N2C(=O)/C(=C(/C)NNC(=O)c3cccc(C(=O)O)c3)c3ccccc32)cc1 ZINC000058582502 II Annotated Reactive CC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@@H](C)c1ccc(F)cc1 ZINC000058582574 II Annotated Mild Clc1cccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)c1 ZINC000058582836 II Annotated Anodyne O=C(c1cc2ccccc2o1)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000058583232 II Annotated Anodyne C/C(NNC(=O)c1ccc(C(=O)O)s1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000058583757 II Annotated Reactive CC(C)(CO)C(=O)Nc1ccc2ccn(Cc3cccc(-c4cccc5c4OCO5)n3)c2c1 ZINC000058584039 II Annotated Anodyne Cc1nc(C(F)(F)F)ncc1/C=C/C(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058590497 II Annotated Clean C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000058590612 II Annotated Reactive C/C(NNC(=O)c1ccc(C(=O)O)s1)=C1/C(=O)N(c2cccc(C)c2)c2ccccc21 ZINC000058590619 II Annotated Reactive C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2cccc(F)c21 ZINC000058590842 II Annotated Reactive C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 ZINC000058591022 II Annotated Reactive C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2cc(F)ccc21 ZINC000058591205 II Annotated Reactive C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 ZINC000058591378 II Annotated Reactive C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 ZINC000058591426 II Annotated Reactive c1ccc(Cn2nnnc2[C@H](c2ccc3occc3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058592120 II Annotated Anodyne CC(C)CN(NC(=O)c1cc2ccccc2s1)c1nc(C#N)ncc1Br ZINC000058592386 II Annotated Reactive C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2cccc(C)c2)c2ccccc21 ZINC000058592670 II Annotated Reactive CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](c1ccccc1)N(C)[C@H]2[C@]31CCN(C)[C@H]4Cc2ccc(O)cc21 ZINC000058597122 II Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC1CCN(C)CC1 ZINC000058599273 II Annotated Anodyne CCc1ccc(N2C(=O)/C(=C(/C)NNC(=O)c3ccc(C(=O)O)cc3)c3ccccc32)cc1 ZINC000058638748 II Annotated Reactive CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000058638758 II Annotated Anodyne CC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@H](C)c1ccc(F)cc1 ZINC000058650452 II Annotated Mild COc1ccc(CO[C@@]2(C)CC[C@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 ZINC000058668697 II Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000586877907 II Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586879716 II Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586879726 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(C(C)=O)C(C)=O)nc2c1 ZINC000586880771 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(C(C)=O)C(C)=O)nc2c1 ZINC000586881395 II Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000586882150 II Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3=CCCC3)nc1-2 ZINC000586882838 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586884915 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586884918 II Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586885694 II Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586885706 II Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586885707 II Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586885710 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1 ZINC000586889042 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1 ZINC000586889046 II Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586890261 II Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586890270 II Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586890271 II Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586890272 II Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586890898 II Annotated Reactive O=C(O)C[C@@H](O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586890900 II Annotated Reactive OCc1ccccc1-c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586894783 II Annotated Anodyne Oc1cccc(CCCCc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586895898 II Annotated Anodyne CC(C)c1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896458 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 ZINC000586897197 II Annotated Anodyne Oc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc2c1CCCC2 ZINC000586898031 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 ZINC000586899440 II Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2c1 ZINC000586899509 II Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(I)cnc3[nH]2)cc1 ZINC000586900078 II Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586901673 II Annotated Anodyne Cc1oc2c(c1-c1nc3c(I)cnc(Cl)c3[nH]1)C(=O)CCC2 ZINC000586903932 II Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c2c1 ZINC000586904169 II Annotated Anodyne Cc1c(-c2nc3c(Br)ncc(Br)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905276 II Annotated Anodyne Cc1c(-c2nc3c(Br)ncc(Br)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905277 II Annotated Anodyne Cc1c(-c2nc3c(Cl)ncc(I)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905503 II Annotated Anodyne Cc1c(-c2nc3c(Cl)ncc(I)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905504 II Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586906682 II Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586906683 II Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)ccc21 ZINC000586906715 II Annotated Reactive O=C1OC(=O)c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)ccc21 ZINC000586907108 II Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 ZINC000586907759 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 ZINC000586907760 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCCCCC#CCO[C@@H]3CCCCO3)nc-2[nH]1 ZINC000586908378 II Annotated Mild Oc1nc(NCc2ccccc2)c2nc(CCCCCC#CCO[C@H]3CCCCO3)nc-2[nH]1 ZINC000586908379 II Annotated Mild O=C1OC(=O)c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)ccc21 ZINC000586909280 II Annotated Reactive COC(=O)c1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586909648 II Annotated Reactive C(#CCO[C@H]1CCCCO1)CCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586909804 II Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586909805 II Annotated Mild O=C(O)c1cc2[nH]c([C@@H]3CCOC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586911165 II Annotated Bother O=C(O)c1cc2[nH]c([C@H]3CCOC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586911170 II Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 ZINC000586911723 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 ZINC000586913492 II Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)[nH]c3c2)NNC(=O)C1 ZINC000586914395 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586915095 II Annotated Bother COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586915096 II Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586915097 II Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586915098 II Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586916466 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586916467 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586916469 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586916470 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916677 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916678 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916682 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916685 II Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 ZINC000586916731 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(Br)ccnc4[nH]3)c(=O)oc2c1C ZINC000586916927 II Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C(N)=O)c4[nH]3)c(=O)oc2c1C ZINC000586917005 II Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(N)=O)cc4[nH]3)c(=O)oc2c1C ZINC000586917065 II Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(O)nc(S)nc4[nH]3)c(=O)oc2c1C ZINC000586917081 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)nc12 ZINC000586917124 II Annotated Anodyne C[C@@H]1O[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586917186 II Annotated Bother COc1ccc2c(C)c(CCc3nc4ccc(OCCN(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586917567 II Annotated Anodyne COC(=O)c1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cn1 ZINC000586917587 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cncc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917728 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(F)cnc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917956 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Br)nc4[nH]3)c(=O)oc2c1C ZINC000586918252 II Annotated Anodyne COC(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2n1 ZINC000586918262 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)ncc4[nH]3)c(=O)oc2c1C ZINC000586918305 II Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(=O)oc2c1C ZINC000586918319 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586918381 II Annotated Bother COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586918382 II Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586918383 II Annotated Bother COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586918384 II Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000586918405 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000586918406 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000586918407 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000586918408 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 ZINC000586918496 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918556 II Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(N5CCN(C)CC5)cc4[nH]3)ccc12 ZINC000586918570 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586918618 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586918627 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586918629 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586918633 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586918731 II Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586918732 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586918733 II Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586918734 II Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccnc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586919005 II Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(=O)(=O)CC)cc4[nH]3)ccc12 ZINC000586919251 II Annotated Anodyne CSc1sc(-c2nc3ccc(CCO)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919641 II Annotated Anodyne CCCOc1cc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000586919902 II Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586919968 II Annotated Anodyne Cc1c(Br)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1C ZINC000586919979 II Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586920005 II Annotated Anodyne O=S(=O)(CCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920047 II Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920416 II Annotated Bother O=S(=O)(CCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920634 II Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2n1 ZINC000586920706 II Annotated Anodyne COC(=O)c1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cn1 ZINC000586920754 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)nc12 ZINC000586920759 II Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586920761 II Annotated Anodyne O=S(=O)(CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920792 II Annotated Anodyne CSc1sc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920827 II Annotated Bother CSc1sc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920849 II Annotated Anodyne O=S(=O)(CCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920879 II Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586920888 II Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586921012 II Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cncc(Br)c2[nH]1)c1ccccc1 ZINC000586921170 II Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(Br)nc2[nH]1)c1ccccc1 ZINC000586921415 II Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(Br)ccnc2[nH]1)c1ccccc1 ZINC000586921484 II Annotated Anodyne O=S(=O)(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921865 II Annotated Bother O=S(=O)(Cc1ccccc1-c1nc2ccnc(Br)c2[nH]1)c1ccccc1 ZINC000586922429 II Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(Br)cnc2[nH]1)c1ccccc1 ZINC000586922530 II Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)o1 ZINC000586922618 II Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586922646 II Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c2)o1 ZINC000586922689 II Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1 ZINC000586922798 II Annotated Anodyne O=S(=O)(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586923014 II Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000586923030 II Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3c2)cc1 ZINC000586923133 II Annotated Clean CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)o1 ZINC000586923191 II Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586923343 II Annotated Reactive O=S(=O)(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1CCCC1 ZINC000586923988 II Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CS(=O)(=O)C5CCCC5)[nH]c4c3)o2)cc1 ZINC000586924034 II Annotated Anodyne O=S(=O)(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1CCCC1 ZINC000586924291 II Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924411 II Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 ZINC000586924452 II Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586924458 II Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924585 II Annotated Bother CS(=O)(=O)c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924637 II Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586924684 II Annotated Unstable COc1cc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924718 II Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586924876 II Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586924884 II Annotated Clean COc1cc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925197 II Annotated Unstable Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 ZINC000586925233 II Annotated Bother COC(=O)c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586925278 II Annotated Anodyne O=C1CCc2cc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3cc2N1 ZINC000586925323 II Annotated Unstable COc1cc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925368 II Annotated Unstable O=S(=O)(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000586925415 II Annotated Anodyne COc1cc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925590 II Annotated Unstable CN(C)CCOc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 ZINC000586925615 II Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000586925674 II Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586925692 II Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586925701 II Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586925733 II Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586925740 II Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925757 II Annotated Mild COC(=O)c1cc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586925763 II Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1Cl ZINC000586926095 II Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586926140 II Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586926278 II Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586926348 II Annotated Unstable COC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1OC ZINC000586926465 II Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1Cl ZINC000586926511 II Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000586926518 II Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586926638 II Annotated Unstable N#Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926722 II Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1Cl ZINC000586926760 II Annotated Unstable CCc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926783 II Annotated Unstable N#Cc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926805 II Annotated Unstable CCc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1S(=O)(=O)Cl ZINC000586926914 II Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586927094 II Annotated Anodyne Cc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586927207 II Annotated Bother Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1Cl ZINC000586927309 II Annotated Unstable CCc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927386 II Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Cl ZINC000586927569 II Annotated Unstable Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 ZINC000586927645 II Annotated Bother CCc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927671 II Annotated Unstable Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 ZINC000586927695 II Annotated Bother O=S(=O)(Cl)c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1Cl ZINC000586927819 II Annotated Unstable CCc1ccc(-c2nc3cccc(I)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927830 II Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586927918 II Annotated Anodyne O=S(=O)(Cl)c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl ZINC000586927970 II Annotated Unstable Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927983 II Annotated Unstable Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928013 II Annotated Unstable N#Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586928040 II Annotated Unstable N#Cc1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 ZINC000586928097 II Annotated Unstable CS(=O)(=O)c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928163 II Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928227 II Annotated Bother Cc1cc(-c2nc3c(I)cccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928289 II Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1Cl ZINC000586928305 II Annotated Unstable Cc1cc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)ccc1S(=O)(=O)Cl ZINC000586928341 II Annotated Unstable COC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1 ZINC000586928388 II Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586928422 II Annotated Anodyne CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928427 II Annotated Reactive Cc1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586928515 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586928660 II Annotated Anodyne CN(Cc1nc2cc(Br)cc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928694 II Annotated Anodyne CN(Cc1nc2cc(Cl)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928726 II Annotated Anodyne CN(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928773 II Annotated Anodyne Cc1c(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1C ZINC000586928813 II Annotated Anodyne Cc1cc(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586928822 II Annotated Anodyne Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586928913 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586928983 II Annotated Anodyne CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929031 II Annotated Clean CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 ZINC000586929161 II Annotated Unstable Cc1c(Br)ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586929171 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586929214 II Annotated Anodyne CN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929293 II Annotated Mild NS(=O)(=O)c1ccc(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586929342 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000586929638 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586929644 II Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586929686 II Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586929931 II Annotated Bother CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586929955 II Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)cc1 ZINC000586930277 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C#N)c3[nH]2)c1 ZINC000586930543 II Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(F)c3[nH]2)c1 ZINC000586930632 II Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)o1 ZINC000586930688 II Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 ZINC000586930908 II Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586930927 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(OC)cc3[nH]2)c1 ZINC000586931048 II Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)nc2c1 ZINC000586931104 II Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586931116 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(C)nc(C)cc3[nH]2)c1 ZINC000586931160 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(OC)c3[nH]2)c1 ZINC000586931187 II Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c2)cc1 ZINC000586931204 II Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C#N)cc3[nH]2)c1 ZINC000586931214 II Annotated Mild CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586931276 II Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586931284 II Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586931285 II Annotated Anodyne COC(=O)c1cccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c12 ZINC000586931523 II Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586931698 II Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586931996 II Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586932261 II Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586932290 II Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586933701 II Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586933702 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586934408 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586934409 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586934805 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586934808 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586934939 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586934941 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586934949 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586934950 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586935243 II Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586935245 II Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000586935305 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000586935306 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586935394 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586935395 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586935466 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586935467 II Annotated Anodyne COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1F ZINC000586935528 II Annotated Anodyne COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1F ZINC000586935545 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586935698 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586935700 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586935701 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586935703 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586935980 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586935983 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586936001 II Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586936002 II Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(Br)c2[nH]1 ZINC000586936307 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(Br)c2[nH]1 ZINC000586936308 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586936389 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586936394 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586936398 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586936400 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586936486 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586936489 II Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1 ZINC000586936511 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586936538 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586936541 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586936892 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586936893 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586937523 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586937525 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586937622 II Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586937628 II Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586938265 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586938266 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586938329 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586938330 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586938712 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586938713 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586938995 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586939008 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586939076 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586939078 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586939175 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586939177 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586939179 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586939180 II Annotated Anodyne COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1C ZINC000586939181 II Annotated Anodyne COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1C ZINC000586939182 II Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586939217 II Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586939218 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586939298 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586939299 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000586939485 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000586939486 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586939553 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586939555 II Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586939831 II Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586939832 II Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 ZINC000586940249 II Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 ZINC000586940250 II Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586940749 II Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586940750 II Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586940754 II Annotated Clean Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586940755 II Annotated Clean Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000586940803 II Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000586940804 II Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586941006 II Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586941008 II Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586941042 II Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586941044 II Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586941172 II Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586941173 II Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586941199 II Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586941200 II Annotated Anodyne O=S(=O)(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941241 II Annotated Bother O=S(=O)(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586941637 II Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586941785 II Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586941787 II Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586941795 II Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586941796 II Annotated Anodyne CC(C)(C)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000586941888 II Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586941946 II Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942054 II Annotated Anodyne CC(C)(C)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942119 II Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942389 II Annotated Anodyne O=S(=O)(NCCc1nc2cccc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942709 II Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942817 II Annotated Anodyne Cc1ccc2c(ccc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c32)n1 ZINC000586942923 II Annotated Anodyne CC(C)(C)c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586943009 II Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943014 II Annotated Anodyne O=S(=O)(NCCc1nc2cccc(C(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943060 II Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943157 II Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)s1 ZINC000586943293 II Annotated Anodyne CC(C)Oc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586943441 II Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586943919 II Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)cc(C)cc4[nH]3)cc2)cc1 ZINC000586944633 II Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)cc1 ZINC000586945080 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586945169 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586945181 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586945281 II Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945297 II Annotated Anodyne Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2cc1[N+](=O)[O-] ZINC000586945325 II Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586945491 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586945499 II Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586945595 II Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586945611 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586945767 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586945769 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586945771 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586945772 II Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586945792 II Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Cl ZINC000586945802 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586945810 II Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586945912 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(Br)c2[nH]1 ZINC000586945933 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586945940 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586946087 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586946089 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586946153 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586946161 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586946165 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586946182 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586946183 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586946200 II Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586946373 II Annotated Mild O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586946417 II Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586946463 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586946896 II Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586946897 II Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586946947 II Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586947239 II Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)c1C ZINC000586947636 II Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000586947749 II Annotated Bother Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c(C)n1 ZINC000586947932 II Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000586947946 II Annotated Bother CC(C)S(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000586947978 II Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586948020 II Annotated Clean Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586948155 II Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000586948157 II Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586948691 II Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586948706 II Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586948725 II Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586948763 II Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586948905 II Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586949151 II Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(F)c2[nH]1 ZINC000586949211 II Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(F)cc2[nH]1 ZINC000586949487 II Annotated Bother Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)c1C ZINC000586949760 II Annotated Anodyne CCc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586949853 II Annotated Anodyne Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F ZINC000586949901 II Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586949931 II Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586949944 II Annotated Anodyne Cc1c(F)ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586949971 II Annotated Anodyne CC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586950009 II Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950128 II Annotated Anodyne O=S(=O)(Cc1nc2cccc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950139 II Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000586950286 II Annotated Mild COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl ZINC000586950302 II Annotated Anodyne Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1C ZINC000586950316 II Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950332 II Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586950351 II Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(O)nncc4[nH]3)cc2)c(C)c1C ZINC000586950383 II Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950385 II Annotated Anodyne CC(C)Oc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Br ZINC000586950424 II Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586950435 II Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586950504 II Annotated Anodyne CC(C)(C)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2n1 ZINC000586950554 II Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586950609 II Annotated Anodyne O=S(=O)(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950689 II Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000586950750 II Annotated Anodyne C=CCc1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586950774 II Annotated Mild CS(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000586950860 II Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000586950862 II Annotated Anodyne CC(C)Oc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950893 II Annotated Anodyne Cc1ccc2c(ccc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c32)n1 ZINC000586950930 II Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950937 II Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Cl ZINC000586951026 II Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2n1 ZINC000586951145 II Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586951159 II Annotated Anodyne O=[N+]([O-])c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl ZINC000586951183 II Annotated Bother Cc1cc(Cl)cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951204 II Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951291 II Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586951380 II Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586951392 II Annotated Clean Cc1c(Cl)ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951548 II Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951570 II Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(Cl)c3[nH]2)c1 ZINC000586951711 II Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000586951757 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586952324 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Cl ZINC000586952333 II Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586952732 II Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586952776 II Annotated Anodyne CCCOc1cc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c2cc1Br ZINC000586953147 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586953231 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586953359 II Annotated Anodyne CCCOc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586953785 II Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 ZINC000586953802 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586953845 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586953876 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586953968 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586953971 II Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1C(F)(F)F ZINC000586953979 II Annotated Mild O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586954019 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586954025 II Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(Br)c2[nH]1 ZINC000586954104 II Annotated Anodyne N#Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1C#N ZINC000586954203 II Annotated Mild O=[N+]([O-])c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586954216 II Annotated Bother O=S(=O)(c1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586954522 II Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586954553 II Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2N)C1 ZINC000586954601 II Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586954682 II Annotated Anodyne COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1OC ZINC000586954765 II Annotated Anodyne O=[N+]([O-])c1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586954786 II Annotated Bother O=S(=O)(c1ccc(Cl)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1)N1CCC1 ZINC000586954821 II Annotated Anodyne O=S(=O)(c1cc(-c2nc3cnc(Cl)[nH]c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586954853 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1)N1CCC1 ZINC000586955053 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 ZINC000586955100 II Annotated Anodyne COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1F ZINC000586955242 II Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 ZINC000586955250 II Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC2)cc1 ZINC000586955265 II Annotated Bother N[C@H](N=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586955364 II Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586955367 II Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000586955415 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1)N1CCC1 ZINC000586955424 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1)N1CCC1 ZINC000586955432 II Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586955453 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1)N1CCC1 ZINC000586955471 II Annotated Anodyne Cc1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2cc1[N+](=O)[O-] ZINC000586955601 II Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CC2)cc1 ZINC000586955614 II Annotated Anodyne COc1cc(OC)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 ZINC000586955625 II Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(Cl)ncnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955682 II Annotated Anodyne N#Cc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1C(F)(F)F ZINC000586955683 II Annotated Mild CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(F)cnc(Cl)c4[nH]3)CC2)cc1 ZINC000586955805 II Annotated Anodyne COC(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1 ZINC000586955829 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1)N1CCC1 ZINC000586955862 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586955911 II Annotated Mild CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)nc(C#N)c4[nH]3)CC2)cc1 ZINC000586955912 II Annotated Mild Cc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1Br ZINC000586955961 II Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586956024 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1)N1CCC1 ZINC000586956034 II Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 ZINC000586956081 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956128 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1)N1CCC1 ZINC000586956199 II Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956209 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000586956251 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586956310 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000586956319 II Annotated Anodyne COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cn1 ZINC000586956339 II Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2cc1C ZINC000586956351 II Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(CO)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956363 II Annotated Anodyne COc1cncc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956364 II Annotated Anodyne COc1nccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956389 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)c(F)cc2[nH]1 ZINC000586956412 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000586956415 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000586956454 II Annotated Anodyne COc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2n1 ZINC000586956540 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)cc(F)c2[nH]1 ZINC000586956552 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000586956603 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586956627 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000586956665 II Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(O)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956719 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000586956824 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586956870 II Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)nc(C)cc2[nH]1 ZINC000586956882 II Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956923 II Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957681 II Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957684 II Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957687 II Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957689 II Annotated Anodyne O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957717 II Annotated Bother O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957718 II Annotated Bother O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957721 II Annotated Bother O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957722 II Annotated Bother O=[S@](CCCc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586958136 II Annotated Anodyne O=[S@@](CCCc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586958137 II Annotated Anodyne O=[S@](CCCc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586958530 II Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586958531 II Annotated Anodyne O=[S@](CCCc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1 ZINC000586958532 II Annotated Anodyne O=[S@@](CCCc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1 ZINC000586958533 II Annotated Anodyne O=[S@](CCCc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1 ZINC000586958540 II Annotated Anodyne O=[S@@](CCCc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1 ZINC000586958541 II Annotated Anodyne CCOC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586958572 II Annotated Anodyne CCOC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586958573 II Annotated Anodyne O=[S@](Cc1nc2nc(Br)c[nH]c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586959173 II Annotated Anodyne O=[S@@](Cc1nc2nc(Br)c[nH]c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586959178 II Annotated Anodyne O=[S@](CCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959194 II Annotated Anodyne O=[S@@](CCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959197 II Annotated Anodyne O=[N+]([O-])c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586959254 II Annotated Bother O=[N+]([O-])c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586959257 II Annotated Bother COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586959502 II Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586959505 II Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586959507 II Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586959508 II Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586959544 II Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586959545 II Annotated Anodyne COC(=O)c1cc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2cc1OC ZINC000586959610 II Annotated Anodyne COC(=O)c1cc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2cc1OC ZINC000586959613 II Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 ZINC000586959625 II Annotated Mild O=[S@](CCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Br)cc1 ZINC000586959670 II Annotated Anodyne O=[S@@](CCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Br)cc1 ZINC000586959672 II Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 ZINC000586960198 II Annotated Mild O=[S@](CCCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586960279 II Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586960282 II Annotated Anodyne O=[S@](CCCc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960303 II Annotated Anodyne O=[S@@](CCCc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960304 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960553 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960558 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960564 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960570 II Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960775 II Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960776 II Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960777 II Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586960778 II Annotated Mild O=[S@](CCCc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586960795 II Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586960796 II Annotated Anodyne O=[N+]([O-])c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586960827 II Annotated Bother O=[N+]([O-])c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586960831 II Annotated Bother C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586960839 II Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586960842 II Annotated Anodyne O=[S@](CCCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1 ZINC000586960869 II Annotated Anodyne O=[S@@](CCCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1 ZINC000586960870 II Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586961142 II Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586961155 II Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586961179 II Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586961182 II Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961214 II Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586961215 II Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586961216 II Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961217 II Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961219 II Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961222 II Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586961249 II Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586961254 II Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586961255 II Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586961258 II Annotated Bother COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1OC ZINC000586961410 II Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1OC ZINC000586961413 II Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1OC ZINC000586961415 II Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1OC ZINC000586961416 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961461 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961471 II Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961529 II Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961535 II Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961537 II Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961539 II Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586961688 II Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586961689 II Annotated Anodyne CCCCOc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586961812 II Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586961814 II Annotated Bother CCCCOc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586961815 II Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586961817 II Annotated Bother Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586961821 II Annotated Bother Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586961825 II Annotated Bother O=[S@](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961879 II Annotated Anodyne O=[S@@](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961881 II Annotated Anodyne N#Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586961913 II Annotated Mild N#Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586961916 II Annotated Mild N#Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586961918 II Annotated Mild N#Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586961920 II Annotated Mild COC(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1OC ZINC000586961960 II Annotated Anodyne COC(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1OC ZINC000586961961 II Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586962113 II Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586962115 II Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(I)cc2[nH]1 ZINC000586962238 II Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(I)cc2[nH]1 ZINC000586962243 II Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586962543 II Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586962546 II Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)cc1 ZINC000586962652 II Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)cc1 ZINC000586962655 II Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586962657 II Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586962659 II Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586962821 II Annotated Clean CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586962827 II Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1 ZINC000586962924 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1 ZINC000586962925 II Annotated Anodyne Cc1cc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c(C)n1 ZINC000586962952 II Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586962986 II Annotated Anodyne CC(C)COc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586962987 II Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(I)c2[nH]1 ZINC000586963389 II Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(I)c2[nH]1 ZINC000586963390 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Sc4ncccn4)[nH]c3c2)cc1 ZINC000586963718 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Sc4ncccn4)[nH]c3c2)cc1 ZINC000586963720 II Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1Cl ZINC000586963953 II Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1Cl ZINC000586964004 II Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccc1Cl ZINC000586964027 II Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cncc(Cl)c3[nH]2)ccc1Cl ZINC000586964170 II Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000586964429 II Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586964727 II Annotated Anodyne N#Cc1ccccc1SCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586964738 II Annotated Mild Cc1ccc(-c2nnc(SCc3nc4ccc(Br)c(O)c4[nH]3)n2C)cc1 ZINC000586964814 II Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000586964989 II Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)c(C)nc4[nH]3)n2C)cc1 ZINC000586965087 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nnc(-c4ccc(C)cc4)n3C)nc2c1 ZINC000586965088 II Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000586965157 II Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586965239 II Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000586965504 II Annotated Anodyne CC(C)Cn1c(SCc2nc3c[nH]c(=N)[nH]c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965601 II Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)n2C)cc1 ZINC000586965745 II Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(C)c(Br)cnc4[nH]3)n2C)cc1 ZINC000586965828 II Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(F)cnc(Br)c4[nH]3)n2C)cc1 ZINC000586965833 II Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1OC ZINC000586965977 II Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1 ZINC000586966068 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966139 II Annotated Anodyne FC(F)(F)c1ncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc-2[nH]1 ZINC000586966354 II Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000586966365 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 ZINC000586966379 II Annotated Anodyne O=C1CCc2cc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3cc2N1 ZINC000586966417 II Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000586966455 II Annotated Anodyne CC1=C(c2ccc3nc(CSc4nccn4-c4ccc(C)cc4C)[nH]c3c2)NNC(=O)C1 ZINC000586966499 II Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)n1 ZINC000586966562 II Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000586966673 II Annotated Anodyne CCCCCOc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586966702 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nc(-c4cccnc4)no3)[nH]c21 ZINC000586966719 II Annotated Clean CN(C)C(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966720 II Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)c1 ZINC000586966755 II Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586967037 II Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586967071 II Annotated Anodyne CN(C)CCOc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586967163 II Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1OC ZINC000586967167 II Annotated Anodyne O=C(O)c1cccnc1SCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586967267 II Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 ZINC000586967374 II Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586967403 II Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586967419 II Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1Cl ZINC000586967520 II Annotated Bother CCc1cc(O)nc(SCc2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000586967543 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3nc(Cl)c[nH]c-3n2)c1C=O ZINC000586967574 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C=O ZINC000586967623 II Annotated Bother COc1cncc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c12 ZINC000586967694 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Cl)ncnc3[nH]2)c1C=O ZINC000586967705 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)ncc3[nH]2)C[C@@H](C)O1 ZINC000586967811 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)ncc3[nH]2)C[C@@H](C)O1 ZINC000586967812 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)ncc3[nH]2)C[C@H](C)O1 ZINC000586967813 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)ccnc3[nH]2)C[C@@H](C)O1 ZINC000586967824 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)ccnc3[nH]2)C[C@@H](C)O1 ZINC000586967825 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)ccnc3[nH]2)C[C@H](C)O1 ZINC000586967826 II Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1Cl ZINC000586967891 II Annotated Anodyne COC(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1OC ZINC000586967926 II Annotated Anodyne COc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968023 II Annotated Anodyne COc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968024 II Annotated Anodyne COc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968025 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(CCO)cc3[nH]2)c1C=O ZINC000586968092 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 ZINC000586968100 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)O)c3[nH]2)C[C@H](C)O1 ZINC000586968157 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)O)c3[nH]2)C[C@@H](C)O1 ZINC000586968158 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)O)c3[nH]2)C[C@@H](C)O1 ZINC000586968159 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cnc(Cl)[nH]c-3n2)c1C=O ZINC000586968190 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C#N)c3[nH]2)C[C@@H](C)O1 ZINC000586968209 II Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C#N)c3[nH]2)C[C@H](C)O1 ZINC000586968212 II Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C#N)c3[nH]2)C[C@@H](C)O1 ZINC000586968213 II Annotated Mild COc1nccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c12 ZINC000586968293 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(N)c(N)cc3[nH]2)c1C=O ZINC000586968319 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968326 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968329 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968331 II Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000586968347 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCO4)C[C@H](C)O1 ZINC000586968409 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCO4)C[C@@H](C)O1 ZINC000586968411 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCO4)C[C@@H](C)O1 ZINC000586968413 II Annotated Anodyne COc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cn1 ZINC000586968544 II Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Cl ZINC000586968687 II Annotated Anodyne COc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000586968723 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C=O ZINC000586968724 II Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(CO)cc3[nH]2)c1C=O ZINC000586968754 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968845 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968849 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968851 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C#N)cc3[nH]2)C[C@@H](C)O1 ZINC000586969009 II Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C#N)cc3[nH]2)C[C@H](C)O1 ZINC000586969011 II Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C#N)cc3[nH]2)C[C@@H](C)O1 ZINC000586969014 II Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969034 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969035 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cnc3[nH]2)C[C@H](C)O1 ZINC000586969037 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)O)cc3[nH]2)C[C@H](C)O1 ZINC000586969051 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969055 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969056 II Annotated Anodyne Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c(C)n1 ZINC000586969626 II Annotated Anodyne Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c(C)n1 ZINC000586969627 II Annotated Anodyne Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c(C)n1 ZINC000586969628 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Cl)nc3[nH]2)C[C@@H](C)O1 ZINC000586969653 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Cl)nc3[nH]2)C[C@@H](C)O1 ZINC000586969654 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Cl)nc3[nH]2)C[C@H](C)O1 ZINC000586969655 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4cn[nH]c4cc3[nH]2)C[C@H](C)O1 ZINC000586970297 II Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H](C)O1 ZINC000586970298 II Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H](C)O1 ZINC000586970299 II Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586970464 II Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586970467 II Annotated Reactive COC(C)(C)[C@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586970897 II Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586970903 II Annotated Reactive Cc1ccc(NC(=O)CSCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586971063 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 ZINC000586971567 II Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 ZINC000586971569 II Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586971936 II Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586971937 II Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586971969 II Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586971970 II Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586972327 II Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586972329 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972441 II Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CBr)[nH]c2c1 ZINC000586972661 II Annotated Reactive CC1=C(c2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586972894 II Annotated Reactive CC1=C(c2ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586972896 II Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/CBr)[nH]c2c1 ZINC000586973135 II Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\CBr)[nH]c2c1 ZINC000586973136 II Annotated Reactive CCOc1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc(Br)c1OC ZINC000586973971 II Annotated Anodyne CCOc1cc(/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc(Br)c1OC ZINC000586973977 II Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586974007 II Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586974010 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC ZINC000586974024 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC ZINC000586974033 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccc(Br)c3[nH]2)cc1OC ZINC000586974186 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(Br)c3[nH]2)cc1OC ZINC000586974189 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000586974194 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000586974195 II Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586974454 II Annotated Bother COc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Cl ZINC000586974456 II Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586974457 II Annotated Bother COc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Cl ZINC000586974463 II Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586974545 II Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC ZINC000586974573 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC ZINC000586974575 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC ZINC000586974665 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC ZINC000586974668 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC ZINC000586974711 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC ZINC000586974715 II Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586974908 II Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586974979 II Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586974981 II Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586975216 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586975218 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Br)cc3[nH]2)cc1OC ZINC000586975222 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)cc3[nH]2)cc1OC ZINC000586975223 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1OC ZINC000586975256 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1OC ZINC000586975257 II Annotated Anodyne Cc1cc(Cc2nc3cc(I)cnc3[nH]2)ccc1Br ZINC000586975440 II Annotated Anodyne CC1=C(c2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)NNC(=O)C1 ZINC000586975788 II Annotated Anodyne COC(=O)c1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2cc1OC ZINC000586976077 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC ZINC000586976146 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC ZINC000586976149 II Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1OC ZINC000586976160 II Annotated Anodyne COc1cc(/C=C/c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1Br ZINC000586976746 II Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1Br ZINC000586976760 II Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(=O)OC)nc3[nH]2)cc(Br)c1OC ZINC000586976893 II Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)OC)nc3[nH]2)cc(Br)c1OC ZINC000586976895 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 ZINC000586977085 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC ZINC000586977166 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC ZINC000586977168 II Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC ZINC000586977185 II Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC ZINC000586977187 II Annotated Anodyne COc1cc(/C=C/c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)ccc1Br ZINC000586977246 II Annotated Anodyne COc1cc(/C=C\c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)ccc1Br ZINC000586977247 II Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Br)c1OC ZINC000586977293 II Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Br)c1OC ZINC000586977297 II Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c(C)n1 ZINC000586977308 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586977312 II Annotated Anodyne COc1cc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Br ZINC000586977716 II Annotated Anodyne COc1cc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Br ZINC000586977717 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586977721 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(F)cc2[nH]1 ZINC000586977739 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586977833 II Annotated Anodyne Cc1cccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586977875 II Annotated Anodyne COc1cccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978082 II Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)OC)ncc3[nH]2)cc(Br)c1OC ZINC000586978148 II Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(=O)OC)ncc3[nH]2)cc(Br)c1OC ZINC000586978150 II Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1F ZINC000586978306 II Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586978322 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(F)c2[nH]1 ZINC000586978323 II Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Br)c1OC ZINC000586978330 II Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Br)c1OC ZINC000586978331 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586978340 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000586978360 II Annotated Anodyne CCOc1cc(/C=C/c2nc3c(C(=O)OC)ccnc3[nH]2)cc(Br)c1OC ZINC000586978414 II Annotated Anodyne CCOc1cc(/C=C\c2nc3c(C(=O)OC)ccnc3[nH]2)cc(Br)c1OC ZINC000586978415 II Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586978514 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586978524 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586978576 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586978581 II Annotated Anodyne Cc1c(F)ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978586 II Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586978622 II Annotated Anodyne Cc1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)c1Br ZINC000586978762 II Annotated Anodyne Clc1nccc(-c2nc3cc(I)cnc3[nH]2)c1Br ZINC000586978988 II Annotated Anodyne N=c1[nH]cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc-2[nH]1 ZINC000586979317 II Annotated Mild Nc1ncnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586979330 II Annotated Mild Cc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979360 II Annotated Bother Cc1ncc(-c2nc3cc(I)cnc3[nH]2)c(C)c1Br ZINC000586979404 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cccc(Br)c2[nH]1 ZINC000586979527 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)cc2[nH]1 ZINC000586979550 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccnc(Cl)c3Br)nc-2[nH]1 ZINC000586979611 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586979755 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586979759 II Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1Br ZINC000586979793 II Annotated Anodyne Cc1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)c1Br ZINC000586979821 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 ZINC000586979922 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 ZINC000586979947 II Annotated Anodyne COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1Cl ZINC000586980023 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586980125 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586980147 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586980226 II Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586980333 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586980383 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586980412 II Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586980507 II Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586980903 II Annotated Mild Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 ZINC000586981189 II Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586981368 II Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586981370 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 ZINC000586981380 II Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586981383 II Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(I)cnc2[nH]1 ZINC000586981711 II Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586981756 II Annotated Bother Cc1cc(Br)ccc1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586982063 II Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586982391 II Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586982657 II Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586982658 II Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586982667 II Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000586982693 II Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586983033 II Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586983394 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586983395 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586983396 II Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586983397 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586983683 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586983769 II Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586983770 II Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1[N+](=O)[O-] ZINC000586983782 II Annotated Bother O=[N+]([O-])c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1[N+](=O)[O-] ZINC000586983787 II Annotated Bother CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586983828 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586983977 II Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586983979 II Annotated Bother CC(=O)N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586983994 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586983995 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(I)c2[nH]1 ZINC000586984191 II Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(I)c2[nH]1 ZINC000586984195 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586984333 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586984337 II Annotated Anodyne O=C1CCc2cc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc2N1 ZINC000586984356 II Annotated Anodyne O=C1CCc2cc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc2N1 ZINC000586984360 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586984390 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586984440 II Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586984452 II Annotated Clean N[C@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586984453 II Annotated Clean CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586984487 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586984488 II Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984638 II Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984639 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586984668 II Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586984714 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586984715 II Annotated Anodyne FC(F)(F)c1ncc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 ZINC000586984716 II Annotated Anodyne FC(F)(F)c1ncc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 ZINC000586984723 II Annotated Anodyne Brc1ccc([C@H](c2nc3nc(Br)c[nH]c-3n2)N2CCCC2)cc1 ZINC000586984761 II Annotated Anodyne Brc1ccc([C@@H](c2nc3nc(Br)c[nH]c-3n2)N2CCCC2)cc1 ZINC000586984777 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586984936 II Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586984937 II Annotated Bother COC(=O)c1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1OC ZINC000586984981 II Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1OC ZINC000586984982 II Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586985064 II Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586985065 II Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586985135 II Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985146 II Annotated Bother CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985154 II Annotated Bother CC(=O)N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1 ZINC000586985162 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1 ZINC000586985164 II Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586985270 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586985272 II Annotated Anodyne CC1=C(CCCl)C(=O)N2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2N1 ZINC000586985489 II Annotated Reactive CC1=C(CCCl)C(=O)N2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2N1 ZINC000586985490 II Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586985660 II Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985713 II Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985714 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586985850 II Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586985851 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C(OS(=O)(=O)C(F)(F)F)CC3 ZINC000586985938 II Annotated Unstable COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986407 II Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986410 II Annotated Bother COC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1OC ZINC000586986481 II Annotated Anodyne COC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1OC ZINC000586986483 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(O)c3c2c(c1CC=O)-c1ccccc1C3=O ZINC000586986618 II Annotated Mild CC(=O)N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586986667 II Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586986669 II Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccc([N+](=O)[O-])c1 ZINC000586986834 II Annotated Bother CC(=O)Nc1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] ZINC000586987189 II Annotated Bother O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OCc1ccc([N+](=O)[O-])cc1 ZINC000586987204 II Annotated Bother Nc1ncc2c(n1)C[C@@H](c1ccco1)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987305 II Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987307 II Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3ccc(O)c1c23 ZINC000586987362 II Annotated Clean O=C1c2ccccc2-c2cc([C@@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3ccc(O)c1c23 ZINC000586987363 II Annotated Clean O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc([N+](=O)[O-])cc1 ZINC000586987368 II Annotated Bother O=C(O)c1c[nH]c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1=O ZINC000586987416 II Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCNCC4)c(F)c3)nc3ccc(O)c1c23 ZINC000586987544 II Annotated Anodyne COC(=O)c1cccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586987674 II Annotated Anodyne O=C(O)/C=C\C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586987698 II Annotated Anodyne O=C(O)/C=C/C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586987699 II Annotated Anodyne Nc1ccc(N2CCC(O)CC2)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987782 II Annotated Anodyne CC(C)(C)OC(=O)N1CC2(Cc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586987819 II Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCN1C(=O)c2ccccc2C1=O)-c1ccccc1C3=O ZINC000586987822 II Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586987862 II Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586987863 II Annotated Anodyne O=C1c2ccccc2-c2cc(CCCN3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586987949 II Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987950 II Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987951 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988043 II Annotated Anodyne COC(=O)c1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988064 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988065 II Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988071 II Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988072 II Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988073 II Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988074 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](N1C(=O)c2ccccc2C1=O)C3 ZINC000586988218 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](N1C(=O)c2ccccc2C1=O)C3 ZINC000586988219 II Annotated Anodyne O=C(O)c1c[nH]c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2c1=O ZINC000586988333 II Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCOCC4)c3)nc3ccc(O)c1c23 ZINC000586988335 II Annotated Clean CC(C)(C)OC(=O)NCc1nc2ccc(O)c3c2c(c1CCC=O)-c1ccccc1C3=O ZINC000586988573 II Annotated Mild O=NN(CC(=O)O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988615 II Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@H]2Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 ZINC000586988664 II Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 ZINC000586988665 II Annotated Anodyne CCN1C(=O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 ZINC000586988687 II Annotated Anodyne CCN1C(=O)[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 ZINC000586988688 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](N1C(=O)c2ccccc2C1=O)CC3 ZINC000586988711 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](N1C(=O)c2ccccc2C1=O)CC3 ZINC000586988712 II Annotated Anodyne COc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)c1 ZINC000586988737 II Annotated Anodyne COc1ccc(OC)c(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586988793 II Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988832 II Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988891 II Annotated Anodyne O=C(O)C1=C[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)N(c2ccccc2)N1 ZINC000586988925 II Annotated Anodyne O=C(O)C1=C[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)N(c2ccccc2)N1 ZINC000586988928 II Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCC(=O)O ZINC000586989236 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989375 II Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989376 II Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989434 II Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989435 II Annotated Anodyne O=C(O)COc1ccccc1OCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989487 II Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(O)c1 ZINC000586990350 II Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000586990784 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](O)(c1ccc2c(c1)OCO2)C3 ZINC000586991006 II Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](O)(c1ccc2c(c1)OCO2)C3 ZINC000586991007 II Annotated Anodyne Cc1ccc2c3c(cc(C[C@@](O)(c4nccn4C)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586991941 II Annotated Anodyne Cc1ccc2c3c(cc(C[C@](O)(c4nccn4C)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586991946 II Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992058 II Annotated Anodyne COc1cc(CC(=O)O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC ZINC000586992665 II Annotated Anodyne COCCCNc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 ZINC000586992921 II Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992950 II Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CS(C)(=O)=O ZINC000586992978 II Annotated Anodyne C=CCNS(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586992981 II Annotated Mild C=CCNS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993058 II Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993308 II Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993442 II Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993449 II Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993451 II Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1S(C)(=O)=O ZINC000586993825 II Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993923 II Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)nc3ccc(O)c1c23 ZINC000586994420 II Annotated Anodyne NS(=O)(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Cl ZINC000586994434 II Annotated Anodyne Cc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CCS2(=O)=O)-c1ccccc1C4=O ZINC000586994587 II Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586994588 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCNc3ccc(Br)cc3)nc-2[nH]1 ZINC000586995219 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(O)c2[nH]1 ZINC000586995761 II Annotated Anodyne O=S(=O)(c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1)C(F)(F)F ZINC000586996102 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)c3ccc(Br)cc3)[nH]c21 ZINC000586996151 II Annotated Clean CCOC(=O)CCCC(=O)NCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996182 II Annotated Anodyne CC1=C(c2ccc3nc(C(C)(C)Oc4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586996404 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cnccc2[nH]1 ZINC000586996456 II Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586996623 II Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586996719 II Annotated Bother NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586996970 II Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586996971 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(CCO)ccc4[nH]3)cc2cc1Br ZINC000586997002 II Annotated Anodyne N#Cc1nc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2nc1C#N ZINC000586997141 II Annotated Mild O[C@H](c1ccc(Br)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586997338 II Annotated Anodyne N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586997710 II Annotated Anodyne N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1 ZINC000586997738 II Annotated Clean N[C@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1 ZINC000586997765 II Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586997817 II Annotated Bother N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586997825 II Annotated Bother O[C@H](c1ccc(Br)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586998015 II Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc12 ZINC000586998052 II Annotated Anodyne N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1 ZINC000586998120 II Annotated Anodyne N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586998144 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586998230 II Annotated Bother COC(=O)c1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1OC ZINC000586998240 II Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1OC ZINC000586998242 II Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccc(CN4CCOCC4)cc3[nH]1)OCO2 ZINC000586998356 II Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccc(CN4CCOCC4)cc3[nH]1)OCO2 ZINC000586998358 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2cc1Br ZINC000586998449 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998613 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998614 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C#N)nc(Cl)cc4[nH]3)cc2cc1Br ZINC000586998669 II Annotated Mild NS(=O)(=O)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998685 II Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998686 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2cc1Br ZINC000586998823 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2cc1Br ZINC000586998824 II Annotated Anodyne N=c1[nH]c2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2c(Cl)[nH]1 ZINC000586998881 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999049 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999050 II Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1OC ZINC000586999051 II Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1OC ZINC000586999052 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C#N)c(C#N)cc4[nH]3)cc2cc1Br ZINC000586999058 II Annotated Mild O=[N+]([O-])c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1[N+](=O)[O-] ZINC000586999192 II Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1[N+](=O)[O-] ZINC000586999193 II Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586999531 II Annotated Anodyne Sc1nc(S)c2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 ZINC000586999598 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586999615 II Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000586999688 II Annotated Bother CCOc1cc2oc(=O)c(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2cc1Br ZINC000586999694 II Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 ZINC000586999706 II Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cn1 ZINC000586999713 II Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 ZINC000586999725 II Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 ZINC000586999730 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000586999824 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000586999825 II Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000586999850 II Annotated Bother Brc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)cc2c1OCCO2 ZINC000586999867 II Annotated Anodyne Brc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)cc2c1OCCO2 ZINC000586999870 II Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586999912 II Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000586999916 II Annotated Anodyne Brc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000587000009 II Annotated Anodyne Brc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000587000010 II Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1OC ZINC000587000072 II Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1OC ZINC000587000073 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)OCO5)cc2cc1Br ZINC000587000120 II Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587000195 II Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587000215 II Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000287 II Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587000298 II Annotated Anodyne Brc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587000328 II Annotated Anodyne Brc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587000329 II Annotated Anodyne Brc1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000339 II Annotated Anodyne Brc1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000340 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2cc1Br ZINC000587000560 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)ncc2[nH]1 ZINC000587000573 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000587000637 II Annotated Anodyne Brc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587000839 II Annotated Anodyne Brc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587000840 II Annotated Anodyne Brc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587000841 II Annotated Anodyne Brc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587000842 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587000876 II Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CCn3ncc4cc(Br)ccc43)nc1-2 ZINC000587000934 II Annotated Anodyne CN(C)CCOc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001073 II Annotated Anodyne CN(C)CCOc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001074 II Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-] ZINC000587001121 II Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-] ZINC000587001130 II Annotated Bother O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587001246 II Annotated Anodyne Fc1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1-n1cccn1 ZINC000587001259 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2cc1Br ZINC000587001327 II Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 ZINC000587001340 II Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2cc1Br ZINC000587001355 II Annotated Bother Brc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc2c1OCCO2 ZINC000587001432 II Annotated Anodyne Brc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc2c1OCCO2 ZINC000587001476 II Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000587001521 II Annotated Bother O=C1C[C@@H](Cc2nc3c(Br)ccnc3[nH]2)c2c(Br)cccc2O1 ZINC000587001666 II Annotated Anodyne CC(C)Oc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587001668 II Annotated Anodyne O=C1C[C@H](Cc2nc3c(Br)ccnc3[nH]2)c2c(Br)cccc2O1 ZINC000587001671 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cnc2[nH]1 ZINC000587001681 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587001694 II Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Br)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587001931 II Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Br)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587001932 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587002027 II Annotated Anodyne Oc1c(Br)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002070 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccnc(Br)c2[nH]1 ZINC000587002076 II Annotated Anodyne O=C1CCc2cc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2N1 ZINC000587002121 II Annotated Anodyne O=C1CCc2cc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2N1 ZINC000587002126 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)c2c(Br)cccc2O1 ZINC000587002335 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)c2c(Br)cccc2O1 ZINC000587002337 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587002385 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c2c(Br)cccc2O1 ZINC000587002452 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c2c(Br)cccc2O1 ZINC000587002453 II Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002476 II Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002477 II Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002563 II Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002565 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002697 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002702 II Annotated Anodyne CCCn1cnc2cc(-c3nc4nc(Br)c[nH]c-4n3)cc(Br)c21 ZINC000587002726 II Annotated Anodyne Fc1cnc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587002771 II Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587002782 II Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1OC ZINC000587002936 II Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1OC ZINC000587002937 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002944 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002949 II Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc(Br)c21 ZINC000587003315 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)nc2[nH]1 ZINC000587003391 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 ZINC000587003409 II Annotated Anodyne O=C1C[C@@H](Cc2nc3ccnc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003504 II Annotated Anodyne O=C1C[C@H](Cc2nc3ccnc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003505 II Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1)C(F)(F)F ZINC000587003534 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003541 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003542 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587003571 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587003573 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cncc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003588 II Annotated Anodyne O=C1C[C@H](Cc2nc3cncc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003589 II Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587003731 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003943 II Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004006 II Annotated Anodyne Cc1nc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1Br ZINC000587004147 II Annotated Anodyne Brc1c[nH]c2nccc(-c3nc4ccc(I)cc4[nH]3)c12 ZINC000587004202 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2c(Br)cccc2O1 ZINC000587004304 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2c(Br)cccc2O1 ZINC000587004307 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587004309 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587004311 II Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)ncc3[nH]2)c2c(Br)cccc2O1 ZINC000587004322 II Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)ncc3[nH]2)c2c(Br)cccc2O1 ZINC000587004325 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cncc(Br)c2[nH]1 ZINC000587004389 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Br)ccnc2[nH]1 ZINC000587004463 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587004533 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587004534 II Annotated Anodyne Brc1c[nH]c2nccc(-c3nc4cccc(I)c4[nH]3)c12 ZINC000587004609 II Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2o1 ZINC000587004624 II Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cn1 ZINC000587004923 II Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c12 ZINC000587004937 II Annotated Anodyne CC(C)n1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br ZINC000587005025 II Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005181 II Annotated Bother FC(F)(F)C(F)(F)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1 ZINC000587005253 II Annotated Anodyne Clc1ccc(Br)nc1-c1nc2cc(I)cnc2[nH]1 ZINC000587005267 II Annotated Anodyne CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc(Br)c21 ZINC000587005272 II Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2n1 ZINC000587005357 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005410 II Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3nc(Br)ccc3Cl)nc-2[nH]1 ZINC000587005479 II Annotated Anodyne CC(C)n1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc(Br)c1Br ZINC000587005528 II Annotated Bother Clc1cnc(Br)c(-c2nc3cccc(I)c3[nH]2)n1 ZINC000587005573 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc(Cl)cnc3Br)[nH]c21 ZINC000587005613 II Annotated Clean Oc1nc(NCc2ccccc2)c2nc(-c3ccnc(Br)c3Cl)nc-2[nH]1 ZINC000587005789 II Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccc(I)cc3[nH]2)n1 ZINC000587005792 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 ZINC000587005872 II Annotated Anodyne Clc1c(-c2nc3cc(I)cnc3[nH]2)ccnc1Br ZINC000587005881 II Annotated Anodyne O=c1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587005929 II Annotated Bother Brc1ccc2cc(-c3nc4cc(I)cnc4[nH]3)cn2c1 ZINC000587005983 II Annotated Anodyne Cc1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1[N+](=O)[O-] ZINC000587005998 II Annotated Bother FC(F)(F)C(F)(F)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 ZINC000587005999 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc4ccc(Br)cn4c3)nc-2[nH]1 ZINC000587006019 II Annotated Anodyne Brc1cccn2ncc(-c3nc4cccc(I)c4[nH]3)c12 ZINC000587006052 II Annotated Anodyne O=c1c(-c2nc3c(Cl)ncc(F)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006142 II Annotated Anodyne Clc1ncc(Br)c2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006173 II Annotated Anodyne Brc1cnc2c(-c3nc4c(I)cccc4[nH]3)cccn12 ZINC000587006184 II Annotated Anodyne Brc1cccn2ncc(-c3nc4ccc(I)cc4[nH]3)c12 ZINC000587006237 II Annotated Anodyne Clc1c(Br)cnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587006298 II Annotated Anodyne COc1cc(OC)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 ZINC000587006370 II Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006394 II Annotated Bother O=C(O)c1cc(F)cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006447 II Annotated Anodyne O=C(Nc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006720 II Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccn4c(Br)cnc34)nc21 ZINC000587006733 II Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 ZINC000587006790 II Annotated Anodyne Clc1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006796 II Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1F ZINC000587006801 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 ZINC000587006805 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnn4cccc(Br)c34)[nH]c21 ZINC000587006811 II Annotated Clean O=c1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006945 II Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006980 II Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006982 II Annotated Mild Clc1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587007002 II Annotated Anodyne COc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1F ZINC000587007030 II Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007037 II Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cc(Br)cn(Cc5ccccc5)c4=O)nc3cc2N1 ZINC000587007076 II Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587007181 II Annotated Anodyne Brc1n[nH]c2ccc(-c3nc4cccc(I)c4[nH]3)cc12 ZINC000587007208 II Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007272 II Annotated Bother COc1nccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587007350 II Annotated Anodyne O=C(Nc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)cc1)c1ccc(Br)o1 ZINC000587007421 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007447 II Annotated Bother CC(C)(Cl)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587007625 II Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(CO)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007628 II Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(CCO)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007663 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587007796 II Annotated Anodyne Clc1ncc(Br)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007808 II Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007833 II Annotated Bother Fc1c(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1F ZINC000587008140 II Annotated Anodyne O=C(Nc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)cc1)c1ccc(Br)o1 ZINC000587008252 II Annotated Anodyne Brc1n[nH]c2ccc(-c3nc4ccc(I)cc4[nH]3)cc12 ZINC000587008461 II Annotated Anodyne Brc1cnc2c(-c3nc4cc(I)ccc4[nH]3)cccn12 ZINC000587008568 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587008572 II Annotated Bother O=C(Nc1ccc(Cc2nc3c(Cl)ncnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008778 II Annotated Anodyne COc1cncc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587008901 II Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587008919 II Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4sc(C)nc4C)[nH]c3c2)cc1 ZINC000587010843 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(Br)nc3C)nc2c1 ZINC000587011832 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3nc(Br)sc3C3CC3)nc-2[nH]1 ZINC000587011940 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1 ZINC000587012534 II Annotated Anodyne Brc1nc(-c2nc3cc(I)cnc3[nH]2)c(C2CC2)s1 ZINC000587012841 II Annotated Anodyne CC1=C(c2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)NNC(=O)C1 ZINC000587012971 II Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cs1 ZINC000587013812 II Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cs1 ZINC000587013909 II Annotated Mild CC(C)(C)OC(=O)NCc1nc(-c2nc3c(F)cnc(Br)c3[nH]2)cs1 ZINC000587014113 II Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)c(O)c3[nH]2)cs1 ZINC000587014659 II Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587014939 II Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015075 II Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 ZINC000587015829 II Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 ZINC000587015830 II Annotated Anodyne CN(C)CCOc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587016376 II Annotated Anodyne COC(=O)c1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1OC ZINC000587016391 II Annotated Anodyne c1cc(Nc2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)c2cccnc2c1 ZINC000587016594 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2[nH]1 ZINC000587017208 II Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 ZINC000587017266 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3csc(-c4ncccc4Cl)n3)nc-2[nH]1 ZINC000587017332 II Annotated Anodyne Ic1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587017344 II Annotated Anodyne Clc1ncc(I)c2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587017492 II Annotated Anodyne Clc1ncc(I)c2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587017498 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587017661 II Annotated Bother Clc1cccnc1-c1nc(-c2nc3cc(I)cnc3[nH]2)cs1 ZINC000587017829 II Annotated Anodyne CC1=C(c2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)NNC(=O)C1 ZINC000587017833 II Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1OC ZINC000587018385 II Annotated Anodyne Brc1nccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018440 II Annotated Anodyne Brc1cncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018560 II Annotated Anodyne Fc1cnc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 ZINC000587018700 II Annotated Anodyne Brc1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018702 II Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1-n1cccn1 ZINC000587018731 II Annotated Anodyne Brc1ccnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 ZINC000587018752 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cncc(Br)c3[nH]2)cs1 ZINC000587018795 II Annotated Anodyne Cc1nc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2cc1Br ZINC000587018935 II Annotated Anodyne FC1(F)Oc2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc2O1 ZINC000587018956 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1 ZINC000587018995 II Annotated Anodyne O=C(Nc1nc(Cc2nc3c(F)cnc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587019018 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)c(O)c3[nH]2)cs1 ZINC000587019031 II Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c(F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019053 II Annotated Anodyne O=C(Nc1nc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cs1)c1cccs1 ZINC000587019055 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1 ZINC000587019112 II Annotated Bother CN(C)CCOc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019117 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)nc3[nH]2)cs1 ZINC000587019154 II Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019164 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Br)ccnc3[nH]2)cs1 ZINC000587019166 II Annotated Anodyne O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019253 II Annotated Bother CCOC(=O)Cc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019314 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(F)cnc(Br)c3[nH]2)cs1 ZINC000587019414 II Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2cc1OC ZINC000587019475 II Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 ZINC000587019499 II Annotated Anodyne Cc1nc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2cc1Br ZINC000587019522 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587019527 II Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1OC ZINC000587019541 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cs1 ZINC000587019561 II Annotated Anodyne Sc1nc(S)c2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 ZINC000587019564 II Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)c(F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019579 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cnc3[nH]2)cs1 ZINC000587019592 II Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 ZINC000587019605 II Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019609 II Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 ZINC000587019642 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019663 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccnc(Br)c3[nH]2)cs1 ZINC000587019757 II Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)ncc3[nH]2)cs1 ZINC000587019775 II Annotated Anodyne O=C1COc2cc3[nH]c(Cc4csc(-c5ccc(Br)s5)n4)nc3cc2N1 ZINC000587019800 II Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c(O)c3[nH]2)cs1)c1cccs1 ZINC000587019870 II Annotated Anodyne O=C(Nc1nc(Cc2nc3cccc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019890 II Annotated Anodyne N#Cc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1C(F)(F)F ZINC000587019910 II Annotated Mild O=C(Nc1nc(Cc2nc3cc(F)cc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019944 II Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c(O)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020097 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 ZINC000587020137 II Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cn1 ZINC000587020151 II Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)s1 ZINC000587020172 II Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(OCc5csc(C)n5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587020302 II Annotated Anodyne Cn1cc(-c2ncc(-c3nc4c(Br)cnc(Br)c4[nH]3)s2)cn1 ZINC000587020632 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4csc(N)n4)c3)nc2c1 ZINC000587021508 II Annotated Anodyne O=C1COc2cc3[nH]c(-c4cccc(Nc5nc(-c6ccccn6)cs5)c4)nc3cc2N1 ZINC000587021654 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 ZINC000587021677 II Annotated Anodyne N#Cc1ncc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587022720 II Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 ZINC000587023463 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)s1 ZINC000587023511 II Annotated Anodyne Cc1cc(Br)cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587023512 II Annotated Anodyne O=C(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023533 II Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(I)cc3[nH]2)s1 ZINC000587023672 II Annotated Anodyne Cc1c(Br)cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1C ZINC000587023739 II Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023750 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)s1 ZINC000587023777 II Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)s1 ZINC000587023901 II Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)s1 ZINC000587023955 II Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 ZINC000587023976 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)s1 ZINC000587024054 II Annotated Anodyne Cc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587024097 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)s1 ZINC000587024101 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)s1 ZINC000587024242 II Annotated Anodyne Cc1c(Br)ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587024281 II Annotated Anodyne Cc1cc(Br)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 ZINC000587024323 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587024348 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 ZINC000587024375 II Annotated Clean CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587024391 II Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)s1 ZINC000587024414 II Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)nc3cc2N1 ZINC000587024470 II Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)nc3cc2N1 ZINC000587024471 II Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)nc3cc2N1 ZINC000587024472 II Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)nc3cc2N1 ZINC000587024474 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026516 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026525 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026528 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(S)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026529 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 ZINC000587026768 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000587026881 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@H]2CCCC[C@H]21 ZINC000587026882 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000587026883 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Br)c[nH]c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000587026884 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 ZINC000587027595 II Annotated Anodyne O=C(NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1cscn1 ZINC000587027962 II Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028495 II Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028496 II Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028498 II Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028501 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000587028735 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000587028736 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000587028737 II Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H]2CCCC[C@H]21 ZINC000587028738 II Annotated Anodyne Cc1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028847 II Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3ccccc3OCc3cscn3)nc-2[nH]1 ZINC000587028861 II Annotated Anodyne Cc1c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028940 II Annotated Anodyne Cc1c(-c2nc3c(I)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029477 II Annotated Anodyne Cc1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029608 II Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029615 II Annotated Anodyne Cc1c(-c2nc3cc(I)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029699 II Annotated Anodyne Cc1c(-c2nc3c(Br)cc(C#N)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029862 II Annotated Mild Ic1cnc2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587030033 II Annotated Anodyne Cc1c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030044 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)N(C)C)cc3[nH]1)N2 ZINC000587030801 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)N(C)C)cc3[nH]1)N2 ZINC000587030804 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)N(C)C)cc3[nH]1)N2 ZINC000587030805 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)N(C)C)cc3[nH]1)N2 ZINC000587030806 II Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030839 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030840 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030841 II Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030842 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCCO4)N2 ZINC000587030955 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4c(cc3[nH]1)OCCO4)N2 ZINC000587030958 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCCO4)N2 ZINC000587030960 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4c(cc3[nH]1)OCCO4)N2 ZINC000587030962 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc([C@@H](N)N=O)cc3[nH]1)N2 ZINC000587031144 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc([C@H](N)N=O)cc3[nH]1)N2 ZINC000587031147 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc([C@H](N)N=O)cc3[nH]1)N2 ZINC000587031149 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc([C@@H](N)N=O)cc3[nH]1)N2 ZINC000587031151 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1 ZINC000587031185 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(S)nc(S)nc3[nH]1)N2 ZINC000587031244 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587031246 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(S)nc(S)nc3[nH]1)N2 ZINC000587031254 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(S)nc(S)nc3[nH]1)N2 ZINC000587031256 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(S)nc(S)nc3[nH]1)N2 ZINC000587031258 II Annotated Anodyne COC(=O)c1cc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2cc1OC ZINC000587031503 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cnc(C(F)(F)F)[nH]c-3n1)N2 ZINC000587031527 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnc(C(F)(F)F)[nH]c-3n1)N2 ZINC000587031531 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnc(C(F)(F)F)[nH]c-3n1)N2 ZINC000587031533 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnc(C(F)(F)F)[nH]c-3n1)N2 ZINC000587031534 II Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4nc(Br)c[nH]c-4n3)c2C1 ZINC000587031647 II Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587031659 II Annotated Anodyne Nc1c(-c2nc3nc(Br)c[nH]c-3n2)sc2cc(Br)ccc12 ZINC000587031950 II Annotated Anodyne COC(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1OC ZINC000587031980 II Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 ZINC000587032088 II Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 ZINC000587032089 II Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 ZINC000587032090 II Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 ZINC000587032092 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4nc(O)[nH]c4cc3[nH]1)N2 ZINC000587032312 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4nc(O)[nH]c4cc3[nH]1)N2 ZINC000587032316 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4nc(O)[nH]c4cc3[nH]1)N2 ZINC000587032319 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4nc(O)[nH]c4cc3[nH]1)N2 ZINC000587032322 II Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2C1 ZINC000587032474 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4c(cc3[nH]1)OCC(=O)N4)N2 ZINC000587033247 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4c(cc3[nH]1)OCC(=O)N4)N2 ZINC000587033250 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCC(=O)N4)N2 ZINC000587033252 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCC(=O)N4)N2 ZINC000587033253 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(C)(=O)=O)cc3[nH]1)N2 ZINC000587033678 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(C)(=O)=O)cc3[nH]1)N2 ZINC000587033681 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(C)(=O)=O)cc3[nH]1)N2 ZINC000587033683 II Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(C)(=O)=O)cc3[nH]1)N2 ZINC000587033684 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cncc(Cl)c4[nH]3)ccc2s1 ZINC000587033792 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(F)c4[nH]3)ccc2s1 ZINC000587033847 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587033967 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(OC)cc4[nH]3)ccc2s1 ZINC000587034202 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)cc(F)c4[nH]3)ccc2s1 ZINC000587034217 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)c(F)cc4[nH]3)ccc2s1 ZINC000587034241 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)nc(C)cc4[nH]3)ccc2s1 ZINC000587034308 II Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2C1 ZINC000587034572 II Annotated Bother Clc1ncc(I)c2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587034896 II Annotated Anodyne Clc1ncc(I)c2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587034897 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Cl)ccnc4[nH]3)ccc2s1 ZINC000587035084 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(F)c(F)c4[nH]3)ccc2s1 ZINC000587035109 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Cl)nc4[nH]3)ccc2s1 ZINC000587035117 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccnc(Cl)c4[nH]3)ccc2s1 ZINC000587035612 II Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)ncc4[nH]3)ccc2s1 ZINC000587035703 II Annotated Anodyne Brc1cnc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc12 ZINC000587036719 II Annotated Anodyne Brc1cnc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 ZINC000587036720 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc12 ZINC000587036985 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc12 ZINC000587036986 II Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036993 II Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)cc12 ZINC000587037078 II Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)cc12 ZINC000587037082 II Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(F)cc(Br)c4[nH]3)cc12 ZINC000587037250 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(F)cc(Br)c4[nH]3)cc12 ZINC000587037252 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc12 ZINC000587037254 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc12 ZINC000587037255 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc12 ZINC000587037559 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc12 ZINC000587037560 II Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncnc(N)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037586 II Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncnc(N)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037587 II Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037661 II Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 ZINC000587037663 II Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5nc(C#N)c(C#N)nc5[nH]4)c23)cc1 ZINC000587037899 II Annotated Mild Cc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587038025 II Annotated Anodyne Cc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587038026 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc(C)c4[nH]3)cc12 ZINC000587038048 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc(C)c4[nH]3)cc12 ZINC000587038049 II Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587038077 II Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C1=O ZINC000587038158 II Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C1=O ZINC000587038160 II Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587038163 II Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587038228 II Annotated Clean CC(C)(C)OC(=O)Nc1snnc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587038277 II Annotated Bother C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)C1=O ZINC000587038314 II Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(F)c(Br)c4[nH]3)cc12 ZINC000587038327 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(F)c(Br)c4[nH]3)cc12 ZINC000587038328 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc(F)c4[nH]3)cc12 ZINC000587038355 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc(F)c4[nH]3)cc12 ZINC000587038356 II Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)C1=O ZINC000587038379 II Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)c(F)cc4[nH]3)cc12 ZINC000587038418 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)c(F)cc4[nH]3)cc12 ZINC000587038419 II Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1=O ZINC000587038443 II Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1=O ZINC000587038444 II Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1=O ZINC000587038490 II Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1=O ZINC000587038491 II Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587038662 II Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587038773 II Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(N)ncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038797 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)c(C)c4[nH]3)cc12 ZINC000587038800 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)c(C)c4[nH]3)cc12 ZINC000587038803 II Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(N)ncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038810 II Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(I)ccc2[nH]1 ZINC000587038821 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc12 ZINC000587038964 II Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc12 ZINC000587038965 II Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587039079 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587039080 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587039081 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587039082 II Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCCCC)c(Br)cc3[nH]2)C1=O ZINC000587039109 II Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OCCCC)c(Br)cc3[nH]2)C1=O ZINC000587039112 II Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039245 II Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)NN)cc5[nH]4)c23)cc1 ZINC000587039266 II Annotated Reactive CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587039373 II Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587039410 II Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587039572 II Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(I)cccc2[nH]1 ZINC000587039632 II Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587039654 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)c(F)c4[nH]3)cc12 ZINC000587039685 II Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)c(F)c4[nH]3)cc12 ZINC000587039686 II Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C1=O ZINC000587040048 II Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C1=O ZINC000587040050 II Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587040253 II Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040289 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040290 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040291 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040292 II Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587040432 II Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587040578 II Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040665 II Annotated Clean CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587040712 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587040713 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587040720 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587040721 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040877 II Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040878 II Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040879 II Annotated Clean COC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587041025 II Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587041055 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587041270 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587041271 II Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587041427 II Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587041443 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000587041500 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2c1 ZINC000587041502 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587041556 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587041557 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587041795 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587041802 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587041875 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587041877 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587041898 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587041899 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587042152 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587042153 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587042193 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587042194 II Annotated Anodyne CN1CCN(c2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)CC1 ZINC000587042220 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587043458 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587043459 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587043674 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587043675 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 ZINC000587043773 II Annotated Anodyne CC1=C(c2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)NNC(=O)C1 ZINC000587043842 II Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587043889 II Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587043890 II Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587043960 II Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587043961 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2c1 ZINC000587043972 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2c1 ZINC000587043973 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000587043974 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000587043975 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587044000 II Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587044001 II Annotated Anodyne O=C1CSc2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2N1 ZINC000587044430 II Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587044775 II Annotated Anodyne COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(Cl)c1O ZINC000587045684 II Annotated Anodyne COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045866 II Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046324 II Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046325 II Annotated Anodyne COc1cc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047231 II Annotated Anodyne COc1cc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047232 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000587047860 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000587047861 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000587047862 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000587047863 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587047887 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587048143 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587048173 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048403 II Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048404 II Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587048601 II Annotated Mild O=[N+]([O-])c1cc(/C=C/c2nc3cc(I)cnc3[nH]2)ccc1Cl ZINC000587048642 II Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(I)cnc3[nH]2)ccc1Cl ZINC000587048651 II Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000587048769 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587048790 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587048796 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000587048964 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 ZINC000587049078 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587049605 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587049606 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587050194 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000587050242 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=O)OC)cc3[nH]2)c1 ZINC000587050371 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=O)OC)cc3[nH]2)c1 ZINC000587050372 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587050465 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587050486 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(CCO)cc3[nH]2)c1 ZINC000587050605 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000587050759 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000587050760 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587051246 II Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587051247 II Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000587051581 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000587051582 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587051643 II Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587051644 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1 ZINC000587052480 II Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587052632 II Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587053052 II Annotated Bother COc1cc(OC)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587053053 II Annotated Bother O=c1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053116 II Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587053366 II Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587053367 II Annotated Mild O=C1COc2cc3[nH]c(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)nc3cc2N1 ZINC000587053429 II Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587054068 II Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587054071 II Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 ZINC000587054121 II Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 ZINC000587054124 II Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587054239 II Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587054242 II Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587054258 II Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587054265 II Annotated Bother COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1OC ZINC000587054372 II Annotated Bother COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1OC ZINC000587054375 II Annotated Bother O=S(=O)(c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1)N1CCOCC1 ZINC000587054627 II Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1)N1CCOCC1 ZINC000587054629 II Annotated Anodyne NS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587054894 II Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587055256 II Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587055257 II Annotated Bother N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055544 II Annotated Anodyne N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055545 II Annotated Anodyne O=c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587055809 II Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587055870 II Annotated Bother COC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587055871 II Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587055996 II Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587055998 II Annotated Bother NS(=O)(=O)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587056362 II Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587056908 II Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587056909 II Annotated Bother Cc1cc(/C=C(/C#N)c2nc3c(O)nc(N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057086 II Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(O)nc(N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057089 II Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587057448 II Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587057449 II Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)cc1 ZINC000587057528 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)cc1 ZINC000587057530 II Annotated Anodyne N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587057651 II Annotated Anodyne N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587057658 II Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587058034 II Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587058037 II Annotated Bother Cc1cc(-c2nc3nc(N)nc(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058081 II Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587058632 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587058712 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587058714 II Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587059793 II Annotated Anodyne Nc1ncc(-c2nc3ccc(I)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060316 II Annotated Anodyne Nc1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(-c2ccccc2Cl)n1 ZINC000587060380 II Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(OCCN(C)C)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060675 II Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c12 ZINC000587060715 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060720 II Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060812 II Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061011 II Annotated Anodyne Cc1cc(-c2nc3c(O)nc(S)nc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061034 II Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061068 II Annotated Bother CCN1C(=O)C[C@@H](c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061130 II Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061197 II Annotated Anodyne Nc1ncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061252 II Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061594 II Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2cn1 ZINC000587061638 II Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2c1 ZINC000587061971 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062067 II Annotated Mild COCCN1C(=O)CC[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062121 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062155 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062166 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)OC)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062203 II Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062399 II Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2n1 ZINC000587062561 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@H]1c1ccccc1Cl ZINC000587062617 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)c(OC)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062623 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(C(=O)OC)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062644 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062649 II Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062690 II Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc(C#N)c(C#N)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063261 II Annotated Mild COCCN1C(=O)CC[C@H](c2nc3cccc(C(=O)O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063406 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@H]1c1ccccc1Cl ZINC000587063629 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063645 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063650 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)cc(OC)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063670 II Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063698 II Annotated Anodyne Cc1onc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063750 II Annotated Anodyne Cc1onc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c1COc1ccccc1Cl ZINC000587063792 II Annotated Anodyne COc1cc(OC)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063891 II Annotated Anodyne O=c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1CCOc1ccccc1Cl ZINC000587063911 II Annotated Anodyne O=c1cccc(-c2nc3cnc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063920 II Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cccc(=O)n4CCOc4ccccc4Cl)nc3cc2N1 ZINC000587063950 II Annotated Anodyne O=c1cccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063993 II Annotated Anodyne N#Cc1nc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2nc1C#N ZINC000587064037 II Annotated Mild O=c1cccc(-c2nc3ncc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064067 II Annotated Anodyne O=c1cccc(-c2nc3c(Br)nccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064146 II Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064283 II Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587064326 II Annotated Mild COc1cc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2cc1OC ZINC000587064355 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587064426 II Annotated Bother O=c1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1CCOc1ccccc1Cl ZINC000587064500 II Annotated Anodyne O=c1cccc(-c2nc3c(Br)cncc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064543 II Annotated Anodyne O=c1cccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064910 II Annotated Bother O=c1cccc(-c2nc3nc(Br)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064977 II Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(-n5nc(C)c(Cl)c5C)c4)[nH]c3c2)NNC(=O)C1 ZINC000587064981 II Annotated Anodyne O=c1cccc(-c2nc3nccc(Br)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587065079 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(I)cc2[nH]1 ZINC000587065233 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587065360 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(I)c2[nH]1 ZINC000587065509 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587065515 II Annotated Bother COc1cc(Cl)cc(C=O)c1OCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587065660 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587065776 II Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587067079 II Annotated Clean CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587068016 II Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068366 II Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587069243 II Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2n1 ZINC000587069504 II Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2n1 ZINC000587069508 II Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587069946 II Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587069950 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1cccc(Cl)c1 ZINC000587070113 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1cccc(Cl)c1 ZINC000587070119 II Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587070599 II Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587070600 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2c1 ZINC000587070609 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2c1 ZINC000587070610 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1cccc(Cl)c1 ZINC000587071468 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1cccc(Cl)c1 ZINC000587071471 II Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cn1 ZINC000587071678 II Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cn1 ZINC000587071679 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc12 ZINC000587072100 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc12 ZINC000587072102 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072445 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072446 II Annotated Anodyne Cc1c(-c2nc3cc(C#N)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073070 II Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000587073090 II Annotated Anodyne Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587073116 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000587073213 II Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073434 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000587073524 II Annotated Anodyne Cc1c(-c2nc3ccc(I)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074359 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000587074412 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000587074551 II Annotated Anodyne Cc1c(-c2nc3cccc(I)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074673 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)nc-2[nH]1 ZINC000587075036 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 ZINC000587075064 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587075206 II Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(-c5ccc(Cl)cc5)nc4O)nc3c2)NNC(=O)C1 ZINC000587075241 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587075331 II Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587075507 II Annotated Anodyne Cc1c(-c2nc3cc(I)cnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075760 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c21 ZINC000587076045 II Annotated Clean O=S(=O)(c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1)C(F)(F)F ZINC000587076146 II Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1)C(F)(F)F ZINC000587076150 II Annotated Anodyne Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cnn1-c1ccc(Cl)cc1 ZINC000587076287 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587076359 II Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)nc1-2 ZINC000587076484 II Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587076537 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077242 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077243 II Annotated Anodyne Cc1onc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587078240 II Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)c(Cl)cc12 ZINC000587078263 II Annotated Reactive CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)c(Cl)cc12 ZINC000587078264 II Annotated Reactive CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(O)nc(S)nc4[nH]3)c(Cl)cc12 ZINC000587078397 II Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(O)nc(S)nc4[nH]3)c(Cl)cc12 ZINC000587078399 II Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(Cl)cc12 ZINC000587078667 II Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(Cl)cc12 ZINC000587078668 II Annotated Anodyne Cc1onc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078777 II Annotated Bother Cc1onc(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078957 II Annotated Bother Cc1onc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079079 II Annotated Bother Cc1onc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079285 II Annotated Bother Cc1onc(-c2nc3c(Br)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079295 II Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587079347 II Annotated Clean N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587079738 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587079741 II Annotated Anodyne Cc1onc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079749 II Annotated Bother Cc1onc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079938 II Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587080051 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587080055 II Annotated Anodyne Cc1onc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080062 II Annotated Bother Cc1onc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080143 II Annotated Bother CN(C)S(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587080301 II Annotated Clean Cc1onc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080440 II Annotated Bother Cc1onc(-c2nc3cc(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080447 II Annotated Bother Cc1onc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080481 II Annotated Bother Cc1onc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080722 II Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587080813 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587080816 II Annotated Anodyne Clc1cnn2c(-c3nc4nc(Br)c[nH]c-4n3)cc(-c3ccccc3)nc12 ZINC000587081021 II Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587081376 II Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587081382 II Annotated Anodyne Clc1cnn2c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081566 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1[N+](=O)[O-] ZINC000587081573 II Annotated Bother COC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1OC ZINC000587081603 II Annotated Anodyne O=C(CCCc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081611 II Annotated Anodyne O=C(CCCc1nc2cccc(I)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081650 II Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081876 II Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081884 II Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082075 II Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082076 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)nc-2[nH]1 ZINC000587082105 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 ZINC000587082471 II Annotated Anodyne O=C(CCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587082521 II Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000587084518 II Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cn1 ZINC000587084543 II Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000587084625 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CCN(c4nccnc4Cl)CC3)[nH]c21 ZINC000587084797 II Annotated Clean O=[N+]([O-])c1c(Br)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085030 II Annotated Bother Clc1cccc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CC2)n1 ZINC000587085031 II Annotated Anodyne Fc1c(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1F ZINC000587085037 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)nc-2[nH]1 ZINC000587085368 II Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)nn1 ZINC000587085459 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085492 II Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(O)nc(S)nc2[nH]1 ZINC000587086006 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(O)nc(S)nc2[nH]1 ZINC000587086007 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587086271 II Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587086272 II Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587086448 II Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587086449 II Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)cc2[nH]1 ZINC000587086498 II Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587086600 II Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587086676 II Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587086859 II Annotated Mild FC(Br)(Br)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587087001 II Annotated Anodyne COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Cl ZINC000587087014 II Annotated Mild FC(Br)(Br)c1nc2cccc(I)c2[nH]1 ZINC000587087087 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(Br)Br)[nH]c21 ZINC000587087111 II Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)cc1 ZINC000587087186 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)cc1 ZINC000587087187 II Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(F)cnc5[nH]4)(C3)C1)C2 ZINC000587087240 II Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(Br)c2[nH]1 ZINC000587087437 II Annotated Mild CC(C)(F)[C@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587087526 II Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587087528 II Annotated Reactive O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587087682 II Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587087734 II Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087762 II Annotated Bother O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587087794 II Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587087809 II Annotated Mild FC(Br)(Br)c1nc2ccc(I)cc2[nH]1 ZINC000587087846 II Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587088425 II Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587088462 II Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587088463 II Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccnc5[nH]4)(C3)C1)C2 ZINC000587088778 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088816 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088818 II Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cnccc5[nH]4)(C3)C1)C2 ZINC000587088917 II Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccnc(O)c5[nH]4)(C3)C1)C2 ZINC000587089003 II Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587089122 II Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587090059 II Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587090219 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587090220 II Annotated Anodyne CC1=C(c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587090301 II Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587090374 II Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 ZINC000587090862 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC000587090890 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000587090910 II Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3ccnc(SCC(F)(F)F)c3)nc-2[nH]1 ZINC000587090917 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 ZINC000587090936 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(C(=O)O)c3[nH]2)CC1 ZINC000587090974 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 ZINC000587091012 II Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587091048 II Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)nn1CC(F)(F)F ZINC000587091115 II Annotated Bother Cc1cc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c(C)n1 ZINC000587091177 II Annotated Anodyne COc1cccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587091234 II Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1OC ZINC000587091244 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587091314 II Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)ncc3[nH]2)CC1 ZINC000587091364 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Cl)ccnc3[nH]2)CC1 ZINC000587091448 II Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(F)cnc(Br)c2[nH]1)C(F)(F)F ZINC000587091469 II Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(F)cnc(Br)c2[nH]1)C(F)(F)F ZINC000587091470 II Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(C)c(Br)cnc2[nH]1)C(F)(F)F ZINC000587091523 II Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(C)c(Br)cnc2[nH]1)C(F)(F)F ZINC000587091524 II Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3cc2N1 ZINC000587091566 II Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587091698 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(=O)O)cc3[nH]2)CC1 ZINC000587091712 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cncc(Cl)c3[nH]2)CC1 ZINC000587091787 II Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(F)(F)F ZINC000587091961 II Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(F)(F)F ZINC000587091965 II Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(I)cnc3[nH]2)ccn1 ZINC000587092038 II Annotated Anodyne COc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092196 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000587092251 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000587092280 II Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)c(C)nc2[nH]1)C(F)(F)F ZINC000587092352 II Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)c(C)nc2[nH]1)C(F)(F)F ZINC000587092355 II Annotated Anodyne CC(C)Oc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587092456 II Annotated Bother COC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1OC ZINC000587092596 II Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)F)n1 ZINC000587092662 II Annotated Bother FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587092693 II Annotated Mild Cc1csc([C@](O)(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)F)n1 ZINC000587092695 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587092792 II Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587092796 II Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587092839 II Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587092841 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)cnc3[nH]2)CC1 ZINC000587092855 II Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Br)c(O)c2[nH]1)C(F)(F)F ZINC000587093309 II Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)c(O)c2[nH]1)C(F)(F)F ZINC000587093310 II Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587093516 II Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587093517 II Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C#N)cc(Br)c2[nH]1)C(F)(F)F ZINC000587093570 II Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2cc(C#N)cc(Br)c2[nH]1)C(F)(F)F ZINC000587093571 II Annotated Mild CCOc1ccccc1[C@](N)(c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(F)(F)F ZINC000587093652 II Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(F)(F)F ZINC000587093653 II Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)F)n1 ZINC000587093861 II Annotated Bother Cc1csc([C@](O)(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)F)n1 ZINC000587093862 II Annotated Bother Cc1csc([C@](O)(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)C(F)(F)F)n1 ZINC000587093918 II Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)C(F)(F)F)n1 ZINC000587093919 II Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C(F)(F)F)n1 ZINC000587094062 II Annotated Mild Cc1csc([C@@](O)(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C(F)(F)F)n1 ZINC000587094063 II Annotated Mild Cc1csc([C@](O)(Cc2nc3c(Cl)c(Br)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094166 II Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(Cl)c(Br)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094167 II Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587094344 II Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587094345 II Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587094382 II Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587094383 II Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(Br)cnc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587094384 II Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(Br)cnc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587094385 II Annotated Anodyne COC(=O)c1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587094936 II Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587094937 II Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587095228 II Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587095230 II Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C(F)(F)F)n1 ZINC000587095269 II Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C(F)(F)F)n1 ZINC000587095273 II Annotated Anodyne Nc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095299 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1 ZINC000587095891 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1 ZINC000587095894 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1 ZINC000587095895 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1 ZINC000587095896 II Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587096167 II Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587096174 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(C)ccc5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O ZINC000587096412 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(C)ccc5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O ZINC000587096427 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(C)ccc5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O ZINC000587096428 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(C)ccc5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O ZINC000587096430 II Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587096443 II Annotated Mild CCOC(=O)[C@@H]([C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587096445 II Annotated Mild CCOC(=O)[C@H]([C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587096446 II Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587096447 II Annotated Mild CCOC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2[C@H]1C(=O)OCC)-c1ccccc1C4=O ZINC000587096518 II Annotated Anodyne CCOC(=O)C[C@H](Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000587096577 II Annotated Anodyne CCOC(=O)C[C@@H](Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000587096585 II Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000587097014 II Annotated Mild CCOC(=O)[C@H]([C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000587097016 II Annotated Mild CCOC(=O)[C@@H]([C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000587097017 II Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O)[N+](=O)[O-] ZINC000587097018 II Annotated Mild CCOC(=O)CCc1nc2c(C)ccc3c2c(c1CC(=O)OCC)-c1ccccc1C3=O ZINC000587097233 II Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587097392 II Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C ZINC000587098403 II Annotated Anodyne Cc1ccc2c3c(cc(/C(=C/N(C)C)n4cc([N+](=O)[O-])cn4)nc13)-c1ccccc1C2=O ZINC000587098935 II Annotated Bother CCOC(=O)CCc1c(CC(=O)OCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098987 II Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(S(C)(=O)=O)c(O)nc1CC4)-c1ccccc1C2=O ZINC000587102028 II Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5ccccc5S4(=O)=O)nc13)-c1ccccc1C2=O ZINC000587102042 II Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102424 II Annotated Anodyne COc1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O ZINC000587102993 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587103454 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587103456 II Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(CS(N)(=O)=O)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000587103519 II Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(N)(=O)=O)CC[C@@H]4C1(C)C)-c1ccccc1C2=O ZINC000587103521 II Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587103777 II Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587103779 II Annotated Anodyne Cn1ncc(I)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103954 II Annotated Anodyne CC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104002 II Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104005 II Annotated Anodyne COC(=O)C(=NNc1ccccc1OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104120 II Annotated Mild CC1=C(CCCl)C(=O)N2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2N1 ZINC000587104370 II Annotated Reactive CC1=C(CCCl)C(=O)N2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2N1 ZINC000587104373 II Annotated Reactive O=C(O)CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)c1 ZINC000587104524 II Annotated Anodyne Cn1cc(I)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587104763 II Annotated Anodyne O=C(CCN1C(=O)c2ccccc2C1=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105039 II Annotated Anodyne Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)nc(=O)n1Cc1ccccc1 ZINC000587105280 II Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2C[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105500 II Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2C[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105501 II Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C[C@@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105502 II Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C[C@H]1C(=O)O)-c1ccccc1C5=O ZINC000587105503 II Annotated Anodyne COC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)CN1C(=O)OC(C)(C)C ZINC000587105525 II Annotated Anodyne COC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)CN1C(=O)OC(C)(C)C ZINC000587105526 II Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C ZINC000587105990 II Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587107183 II Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587107185 II Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587107187 II Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587107189 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ncccc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587107494 II Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107617 II Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 ZINC000587107815 II Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 ZINC000587107823 II Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587107906 II Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587107913 II Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587108119 II Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587108598 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 ZINC000587108689 II Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587109078 II Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587109080 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 ZINC000587109510 II Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587109511 II Annotated Anodyne COc1cccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587109512 II Annotated Anodyne COc1cccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587109513 II Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587109651 II Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587109740 II Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587109958 II Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(I)cnc2[nH]1 ZINC000587110168 II Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587110289 II Annotated Bother NS(=O)(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110626 II Annotated Anodyne FC(F)(F)c1cc(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110685 II Annotated Anodyne O=c1c(-c2nc3ncncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110762 II Annotated Anodyne O=c1c(-c2nc3cnncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110937 II Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587111059 II Annotated Anodyne Fc1c(Br)ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587111303 II Annotated Anodyne Fc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1Br ZINC000587111349 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587111451 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587111452 II Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(I)c2[nH]1 ZINC000587111701 II Annotated Anodyne O=c1c(-c2nc3ncc[nH]c-3n2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111832 II Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587111839 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111857 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587112022 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587112027 II Annotated Anodyne N#Cc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1C(F)(F)F ZINC000587112041 II Annotated Mild Fc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1C(F)(F)F ZINC000587112151 II Annotated Mild N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587112292 II Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587112300 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587112302 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587112305 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587112309 II Annotated Anodyne Cc1cc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587112628 II Annotated Anodyne Cc1c(Br)ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587112701 II Annotated Anodyne Fc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1Br ZINC000587112764 II Annotated Anodyne Fc1cc(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587112841 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000587112922 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000587112924 II Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587113069 II Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587113146 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587113149 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000587113246 II Annotated Anodyne Cn1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113247 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000587113248 II Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587113295 II Annotated Mild Cc1cc(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587113388 II Annotated Anodyne Cc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587113396 II Annotated Anodyne FC(F)(F)Oc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113409 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113660 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113664 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587113693 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587113695 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587113716 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587113717 II Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)n2)cc1 ZINC000587113829 II Annotated Bother FC(F)(F)Oc1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587113855 II Annotated Anodyne O=C(CSCc1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113929 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000587114045 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000587114047 II Annotated Anodyne Fc1cc(Br)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587114107 II Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114119 II Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114121 II Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)n2)cc1 ZINC000587114179 II Annotated Bother N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(I)cc2[nH]1 ZINC000587114209 II Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587114229 II Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587114231 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=N)N)cc4[nH]3)nc2n1 ZINC000587114522 II Annotated Anodyne N#Cc1nc(Cl)cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587114649 II Annotated Mild O=C(CSCc1nc2cnc(C(F)(F)F)[nH]c-2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114659 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(N)=O)c4[nH]3)nc2n1 ZINC000587114745 II Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)c1C(F)(F)F ZINC000587114825 II Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587114931 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4nc(Cl)c[nH]c-4n3)nc2n1 ZINC000587115009 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(N)=O)cc4[nH]3)nc2n1 ZINC000587115090 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc([N+](=O)[O-])c4[nH]3)nc2n1 ZINC000587115290 II Annotated Bother CCOC(=O)c1cnn(-c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115319 II Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)c1C(F)(F)F ZINC000587115443 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])cnc4[nH]3)nc2n1 ZINC000587115483 II Annotated Bother CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)c1C(F)(F)F ZINC000587115523 II Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cnc(OC)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115540 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cnc(Cl)[nH]c-4n3)nc2n1 ZINC000587115565 II Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Cl)ncnc4[nH]3)nc2n1 ZINC000587115673 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 ZINC000587115854 II Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587115908 II Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115926 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc4cnccc4nc3C(F)(F)F)nc-2[nH]1 ZINC000587115931 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587116014 II Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1OC ZINC000587116038 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1[N+](=O)[O-] ZINC000587116146 II Annotated Bother FC(F)(F)c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(Br)cn1 ZINC000587116151 II Annotated Anodyne Cc1c(Br)cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1C ZINC000587116225 II Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587116276 II Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(I)cc2[nH]1 ZINC000587116317 II Annotated Anodyne FC(F)(F)c1nn(CCc2nc3nc(Br)c[nH]c-3n2)c(C2CC2)c1Cl ZINC000587116352 II Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1OC ZINC000587116451 II Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1[N+](=O)[O-] ZINC000587116521 II Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587116795 II Annotated Mild Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(I)c2[nH]1 ZINC000587116954 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116984 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587117058 II Annotated Bother CN(C)C(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117169 II Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587117214 II Annotated Clean Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587117268 II Annotated Bother O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587117282 II Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(N)ncnc2[nH]1 ZINC000587117356 II Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(N)ncnc2[nH]1 ZINC000587117363 II Annotated Anodyne Fc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1Br ZINC000587117421 II Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587117470 II Annotated Bother FC1(F)Oc2cc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3cc2O1 ZINC000587117515 II Annotated Anodyne COC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1OC ZINC000587117565 II Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587117586 II Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587117588 II Annotated Mild FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(I)cc3[nH]2)n1 ZINC000587117647 II Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnnc(O)c2[nH]1 ZINC000587117725 II Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnnc(O)c2[nH]1 ZINC000587117726 II Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587117728 II Annotated Anodyne CN(C)CCOc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117793 II Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1Br ZINC000587117820 II Annotated Anodyne Fc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1Br ZINC000587117825 II Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587117907 II Annotated Bother COC(=O)c1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1OC ZINC000587117909 II Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118052 II Annotated Bother Fc1cc(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118063 II Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1Br ZINC000587118129 II Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587118132 II Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)ncc(Br)c4[nH]3)no2)n1 ZINC000587118136 II Annotated Anodyne Fc1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587118293 II Annotated Anodyne Fc1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1-n1cccn1 ZINC000587118313 II Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587118497 II Annotated Bother Nc1ccc(-c2ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3c2)cc1N ZINC000587118514 II Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1Br ZINC000587118615 II Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587118639 II Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c21 ZINC000587118762 II Annotated Clean N#Cc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1C(F)(F)F ZINC000587118802 II Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)nc1C(F)(F)F ZINC000587118898 II Annotated Bother N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 ZINC000587118949 II Annotated Bother N[C@H](N=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 ZINC000587118950 II Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)nc1C(F)(F)F ZINC000587119024 II Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587119025 II Annotated Clean O=C(O)c1cc(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587119087 II Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587119144 II Annotated Bother COC(=O)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119163 II Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cccc(I)c3[nH]2)n1 ZINC000587119224 II Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587119416 II Annotated Mild FC(F)(F)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cn1 ZINC000587119428 II Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc(Br)c(Cl)c4[nH]3)no2)n1 ZINC000587119462 II Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Cl ZINC000587119483 II Annotated Bother Fc1c(F)c(F)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1F ZINC000587119537 II Annotated Mild FC(F)(F)c1nn(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1Br ZINC000587119567 II Annotated Anodyne N#Cc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1C#N ZINC000587119625 II Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587119728 II Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587119729 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119803 II Annotated Bother FC(F)(F)c1nn(Cc2nc3cccc(I)c3[nH]2)c2c1CCCC2 ZINC000587119846 II Annotated Anodyne FC(F)(F)c1nn(Cc2nc3ccc(I)cc3[nH]2)c2c1CCCC2 ZINC000587119890 II Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)ncnc2[nH]1 ZINC000587119947 II Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)ncnc2[nH]1 ZINC000587119948 II Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cn1 ZINC000587120028 II Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120253 II Annotated Bother O=C(O)c1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120301 II Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120324 II Annotated Bother COC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2n1 ZINC000587120378 II Annotated Anodyne O=[N+]([O-])c1c[nH]c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc-2c1 ZINC000587120453 II Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120495 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc-2[nH]1 ZINC000587120535 II Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587120573 II Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c12 ZINC000587120625 II Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(S)nc(S)nc4[nH]3)n2n1 ZINC000587120718 II Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587120858 II Annotated Mild Oc1nc(NCc2ccccc2)c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc-2[nH]1 ZINC000587120901 II Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4cc(I)cnc4[nH]3)cc2[nH]1 ZINC000587120933 II Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587120944 II Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587120995 II Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587121037 II Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587121134 II Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587121430 II Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587121707 II Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587122047 II Annotated Mild O=C(O)c1cc(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587122198 II Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587122850 II Annotated Anodyne Cc1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587122982 II Annotated Anodyne Cc1cc(-c2nc3ncc(Br)c(C)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123110 II Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(I)cc4[nH]3)cc2N1 ZINC000587123239 II Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(I)cc4[nH]3)cc2N1 ZINC000587123240 II Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(I)cc4[nH]3)cc2N1 ZINC000587123243 II Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(I)cc4[nH]3)cc2N1 ZINC000587123245 II Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Br)ncc(Br)c3[nH]2)n1 ZINC000587123382 II Annotated Anodyne Cc1cc(-c2nc3nc(C)c(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123662 II Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(I)c4[nH]3)cc2N1 ZINC000587124137 II Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(I)c4[nH]3)cc2N1 ZINC000587124139 II Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(I)c4[nH]3)cc2N1 ZINC000587124143 II Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(I)c4[nH]3)cc2N1 ZINC000587124146 II Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587124298 II Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2N1 ZINC000587124458 II Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2N1 ZINC000587124459 II Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2N1 ZINC000587124461 II Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2N1 ZINC000587124462 II Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587124790 II Annotated Bother C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587124793 II Annotated Bother C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587124795 II Annotated Bother C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587124799 II Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587125014 II Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COC(F)(F)F)[nH]c2c1 ZINC000587125130 II Annotated Anodyne OC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126002 II Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1C ZINC000587126462 II Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126517 II Annotated Mild O=S(=O)(c1ncccc1-c1nc2c(Cl)cc(Br)cc2[nH]1)C(F)(F)F ZINC000587126574 II Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2N1 ZINC000587126627 II Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2N1 ZINC000587126632 II Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2N1 ZINC000587126633 II Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2N1 ZINC000587126636 II Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587126659 II Annotated Bother C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587126661 II Annotated Bother C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587126662 II Annotated Bother C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587126664 II Annotated Bother OC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127071 II Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(F)(F)F ZINC000587127164 II Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 ZINC000587127170 II Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4ncc(I)cc4[nH]3)n[nH]c2c1 ZINC000587127400 II Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)cc(Cl)cc2[nH]1)C(F)(F)F ZINC000587127424 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc-2[nH]1 ZINC000587127434 II Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc2N1 ZINC000587127503 II Annotated Mild C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc2N1 ZINC000587127504 II Annotated Mild C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc2N1 ZINC000587127505 II Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc2N1 ZINC000587127506 II Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(C)ccc(C)c5[nH]4)nc3n2)cn1 ZINC000587127794 II Annotated Anodyne FC(F)c1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cnc2ncnn12 ZINC000587127869 II Annotated Anodyne FC(F)c1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cnc2ncnn12 ZINC000587127872 II Annotated Anodyne FC(F)c1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cnc2ncnn12 ZINC000587127874 II Annotated Anodyne FC(F)c1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cnc2ncnn12 ZINC000587128005 II Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)cc1 ZINC000587128049 II Annotated Anodyne FC(F)c1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cnc2ncnn12 ZINC000587128102 II Annotated Anodyne CC(C)COc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br ZINC000587128182 II Annotated Anodyne FC(F)c1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cnc2ncnn12 ZINC000587128321 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(F)c(C)c5[nH]4)nc3n2)cn1 ZINC000587128392 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587128488 II Annotated Anodyne FC(F)c1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cnc2ncnn12 ZINC000587128508 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587128534 II Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128749 II Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128754 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)c(C)cc5[nH]4)nc3n2)cn1 ZINC000587128780 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)cc(F)c5[nH]4)nc3n2)cn1 ZINC000587128794 II Annotated Anodyne FC(F)c1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cnc2ncnn12 ZINC000587128795 II Annotated Anodyne FC(F)c1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cnc2ncnn12 ZINC000587128967 II Annotated Anodyne C=CCc1cccc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c12 ZINC000587129052 II Annotated Mild CCOc1cc(/C=C\c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1OC(F)F ZINC000587129054 II Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1OC(F)F ZINC000587129056 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587129262 II Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccnc5[nH]4)c3n2)cnn1C ZINC000587129889 II Annotated Anodyne CCc1ccc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2c1 ZINC000587130010 II Annotated Anodyne Cn1nc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130121 II Annotated Anodyne Cn1nc(-c2nc3cc(CCO)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130139 II Annotated Anodyne Cn1nc(-c2nc3ncnc(Cl)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130268 II Annotated Anodyne Cn1nc(-c2nc3nc(Cl)c[nH]c-3n2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130309 II Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cnccc5[nH]4)c3n2)cnn1C ZINC000587130376 II Annotated Anodyne C[C@H](c1nc2nc(Br)c[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130560 II Annotated Anodyne C[C@@H](c1nc2nc(Br)c[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130561 II Annotated Anodyne Cn1nc(-c2nc3nc(Cl)ncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130744 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2c1 ZINC000587130902 II Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)cc(C)c5[nH]4)nc3n2)cn1 ZINC000587130919 II Annotated Anodyne Cn1nc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131016 II Annotated Bother CCOc1cc(/C=C\c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)ccc1OC(F)F ZINC000587131066 II Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)ccc1OC(F)F ZINC000587131067 II Annotated Anodyne Cn1nc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131079 II Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C)c(C)c5[nH]4)nc3n2)cn1 ZINC000587131159 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587131827 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587131828 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(F)(F)C1 ZINC000587132141 II Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(F)(F)C1 ZINC000587132142 II Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C#N)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132295 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C#N)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132296 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C(F)(F)C1 ZINC000587132471 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C(F)(F)C1 ZINC000587132472 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C(F)(F)C1 ZINC000587132731 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C(F)(F)C1 ZINC000587132732 II Annotated Anodyne O=C(c1nc2ncc(I)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132753 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(I)cc3[nH]2)C(F)(F)C1 ZINC000587132859 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(I)cc3[nH]2)C(F)(F)C1 ZINC000587132861 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(I)c3[nH]2)C(F)(F)C1 ZINC000587133162 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(I)c3[nH]2)C(F)(F)C1 ZINC000587133163 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(F)(F)C1 ZINC000587133192 II Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(F)(F)C1 ZINC000587133193 II Annotated Bother O=C(c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1c(Cl)ccc(F)c1Cl ZINC000587133588 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133738 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133739 II Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133880 II Annotated Anodyne O=S(=O)(NCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134069 II Annotated Anodyne O=S(=O)(NCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134352 II Annotated Anodyne O=S(=O)(NCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134362 II Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134393 II Annotated Anodyne O=S(=O)(NCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134694 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc-2[nH]1 ZINC000587134828 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc-2[nH]1 ZINC000587134861 II Annotated Anodyne Fc1c(F)c(-c2nc3cc(I)cnc3[nH]2)c(F)c(F)c1S ZINC000587135099 II Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(I)cnc3[nH]2)c(F)c1F ZINC000587135134 II Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc(I)cnc3[nH]2)c(F)c1F ZINC000587135138 II Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136062 II Annotated Bother Cc1cc(N(C)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136086 II Annotated Bother Cc1cc(N(C)Cc2nc3c(Br)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136427 II Annotated Bother Cc1cc(N(C)Cc2nc3cccc(I)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136697 II Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3cc(Br)c(F)cc3F)nc-2[nH]1 ZINC000587136806 II Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(I)cnc3[nH]2)c(N)cc1F ZINC000587136825 II Annotated Anodyne Fc1cc(F)c(-c2nc3cc(I)cnc3[nH]2)cc1Br ZINC000587136957 II Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c([N+](=O)[O-])cc1F ZINC000587136992 II Annotated Clean Cc1cc(N(C)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137019 II Annotated Bother Cc1cc(N(C)Cc2nc3c(Cl)c(Br)cnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137167 II Annotated Bother Cc1cc(N(C)Cc2nc3ccc(I)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137339 II Annotated Bother Cc1cc(Br)c(-c2nc3cc(I)cnc3[nH]2)cc1F ZINC000587137515 II Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137947 II Annotated Anodyne Cc1cc(Br)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F ZINC000587138113 II Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)c(F)c2)c1 ZINC000587138972 II Annotated Anodyne Fc1cc(CCc2nc3c(I)cnc(Cl)c3[nH]2)cc(F)c1F ZINC000587139081 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 ZINC000587139302 II Annotated Bother N#Cc1nc(Cl)cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587139938 II Annotated Mild O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1F ZINC000587139989 II Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587140038 II Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587140039 II Annotated Anodyne COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1F ZINC000587140177 II Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587140180 II Annotated Anodyne O=C(O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140222 II Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587140351 II Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587140352 II Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3)c1cc(F)ccc1F ZINC000587140480 II Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587140486 II Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587140492 II Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587140494 II Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587140499 II Annotated Bother N#Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1C#N ZINC000587140520 II Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1)c1cc(F)ccc1F ZINC000587140559 II Annotated Anodyne COc1cccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587140647 II Annotated Anodyne COc1cccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587140648 II Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3)c1cc(F)ccc1F ZINC000587140784 II Annotated Anodyne O=C(O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1F ZINC000587140821 II Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587141009 II Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587141010 II Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587141039 II Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587141041 II Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587141140 II Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1 ZINC000587141167 II Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1 ZINC000587141169 II Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000587141314 II Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000587141315 II Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587141472 II Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587141481 II Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587141482 II Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587141672 II Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ncc[nH]c-2n1 ZINC000587141805 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cncnc2[nH]1 ZINC000587141850 II Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587141862 II Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587141912 II Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587141913 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cnncc2[nH]1 ZINC000587141943 II Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587142029 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(N)ccnc2[nH]1 ZINC000587142364 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccnc(N)c2[nH]1 ZINC000587142380 II Annotated Anodyne Cc1nc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2cc1Br ZINC000587142448 II Annotated Anodyne Cc1nc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2cc1Br ZINC000587142449 II Annotated Anodyne N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1F ZINC000587142464 II Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1F ZINC000587142465 II Annotated Anodyne N[C@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1F ZINC000587142519 II Annotated Anodyne N[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1F ZINC000587142520 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142561 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142562 II Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 ZINC000587142652 II Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 ZINC000587142653 II Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2F)c1 ZINC000587142732 II Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142746 II Annotated Mild N#Cc1cc(Br)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142747 II Annotated Mild COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143801 II Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2F)c1 ZINC000587143915 II Annotated Anodyne N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143933 II Annotated Anodyne N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143935 II Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2F)c1 ZINC000587143999 II Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2F)c1 ZINC000587144195 II Annotated Anodyne COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144201 II Annotated Anodyne COc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144423 II Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2c1OC ZINC000587144614 II Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F ZINC000587144929 II Annotated Bother COc1ccc(C(=O)c2ccccc2-c2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587145432 II Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(C(=O)OC)c4[nH]3)cc2)cc1F ZINC000587146949 II Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(S)nc(S)nc4[nH]3)cc2)cc1F ZINC000587147008 II Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587147285 II Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 ZINC000587147467 II Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)c(F)c2)c1 ZINC000587147645 II Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2)cc1F ZINC000587147671 II Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(F)c2)c1 ZINC000587147707 II Annotated Anodyne O=C1C[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147768 II Annotated Anodyne O=C1C[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147774 II Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(F)c2)c1 ZINC000587147858 II Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587148035 II Annotated Anodyne O=C1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148081 II Annotated Bother O=C1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148082 II Annotated Bother O=C1C[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148217 II Annotated Mild O=C1C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148219 II Annotated Mild O=C1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148312 II Annotated Bother O=C1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148314 II Annotated Bother O=C1C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148656 II Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148657 II Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c(F)c1 ZINC000587149109 II Annotated Anodyne O=C1C[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149608 II Annotated Anodyne O=C1C[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149609 II Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(F)c2)c(F)c1 ZINC000587150300 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3ccccc3F)[nH]c2c1 ZINC000587150870 II Annotated Anodyne N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(F)cc1F ZINC000587151054 II Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1N ZINC000587151185 II Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1N ZINC000587151211 II Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1F ZINC000587151604 II Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 ZINC000587151928 II Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587152237 II Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587152239 II Annotated Anodyne NC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152735 II Annotated Anodyne Nc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1N ZINC000587152897 II Annotated Anodyne NC(=O)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153260 II Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1OC ZINC000587153716 II Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2c1 ZINC000587153792 II Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587153933 II Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587153956 II Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587153971 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2c1 ZINC000587154043 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2c1 ZINC000587154044 II Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587154157 II Annotated Mild O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587154203 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 ZINC000587154455 II Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 ZINC000587154701 II Annotated Anodyne O=C(COc1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccccc1F ZINC000587154836 II Annotated Anodyne CCCc1nc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587155144 II Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2cc1OC ZINC000587155276 II Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587155292 II Annotated Anodyne O=C(COc1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1)Nc1ccccc1F ZINC000587155305 II Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587155489 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ncc(Br)cc3F)nc2c1 ZINC000587155752 II Annotated Anodyne COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)nn1-c1ccccc1F ZINC000587155923 II Annotated Clean COc1cc(-c2nc3ccc(I)cc3[nH]2)nn1-c1ccccc1F ZINC000587155961 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ncc(Br)cc3F)nc2c1 ZINC000587156218 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2c1 ZINC000587156683 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2c1 ZINC000587156689 II Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156885 II Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5c(cc4[nH]3)OCCO5)o2)c1 ZINC000587156889 II Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156892 II Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156893 II Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5c(cc4[nH]3)OCO5)o2)c1 ZINC000587156905 II Annotated Anodyne COC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156916 II Annotated Anodyne N#Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1C#N ZINC000587156922 II Annotated Mild N#Cc1nc(Cl)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157122 II Annotated Mild COc1cc(-c2nc3cccc(I)c3[nH]2)nn1-c1ccccc1F ZINC000587157128 II Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(F)cnc(Cl)c4[nH]3)o2)c1 ZINC000587157192 II Annotated Anodyne CCCc1nc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)nn1-c1ccccc1F ZINC000587157207 II Annotated Anodyne COC(=O)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157218 II Annotated Anodyne COc1cc(OC)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587157234 II Annotated Anodyne COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)nn1-c1ccccc1F ZINC000587157253 II Annotated Bother COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)nn1-c1ccccc1F ZINC000587157273 II Annotated Bother COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1F ZINC000587157455 II Annotated Anodyne COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1OC ZINC000587157929 II Annotated Anodyne O=C(O)c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1F ZINC000587157992 II Annotated Anodyne O=[N+]([O-])c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587158318 II Annotated Bother C[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C=C(c2ccccc2F)NO1 ZINC000587158347 II Annotated Clean C[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C=C(c2ccccc2F)NO1 ZINC000587158352 II Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 ZINC000587158464 II Annotated Bother O=C(O)c1cc(F)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587158500 II Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5cn[nH]c5cc4[nH]3)o2)c1 ZINC000587158552 II Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158687 II Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158688 II Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159055 II Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159056 II Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587159097 II Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587159292 II Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 ZINC000587160099 II Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587160619 II Annotated Mild Fc1cccc(Cn2nnc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2Cl)c1 ZINC000587160954 II Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3c2)cc1N ZINC000587161484 II Annotated Anodyne N=c1[nH]c2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc-2c(Cl)[nH]1 ZINC000587161566 II Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 ZINC000587161664 II Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2Cl)c1 ZINC000587161688 II Annotated Anodyne O=C(CCc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587161705 II Annotated Anodyne O=C(CCc1nc2c(Br)cnc(Br)c2[nH]1)Nc1cccc(F)c1 ZINC000587161822 II Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2Cl)c1 ZINC000587162382 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)Nc3cccc(F)c3)nc2c1 ZINC000587162703 II Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587162771 II Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587162782 II Annotated Anodyne Cc1c(Br)cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1C ZINC000587163403 II Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587163715 II Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587163716 II Annotated Anodyne O=C1CC=C(c2nc3cc(Br)cc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163752 II Annotated Anodyne O=C(CCc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587163950 II Annotated Anodyne O=C1CC=C(c2nc3cc(Cl)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164021 II Annotated Anodyne O=C1CC=C(c2nc3cc(Br)c(F)c(F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164375 II Annotated Anodyne O=C1CC=C(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164421 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 ZINC000587165194 II Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587165427 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cnc(Cl)[nH]c-3n2)c1C ZINC000587165561 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(CCO)cc3[nH]2)c1C ZINC000587165568 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 ZINC000587165628 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C ZINC000587165650 II Annotated Bother COC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1OC ZINC000587165657 II Annotated Anodyne CN1CCN(c2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)CC1 ZINC000587165729 II Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2cc1OC ZINC000587165740 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Cl)ncnc3[nH]2)c1C ZINC000587165873 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3nc(Cl)c[nH]c-3n2)c1C ZINC000587165881 II Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cn1 ZINC000587165885 II Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2n1 ZINC000587166010 II Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587166063 II Annotated Bother Fc1ccc(-c2cn3c(Cc4nc5nc(Br)c[nH]c-5n4)csc3n2)cc1 ZINC000587166178 II Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587166342 II Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1C ZINC000587166355 II Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C ZINC000587166418 II Annotated Bother O=[N+]([O-])c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1[N+](=O)[O-] ZINC000587166449 II Annotated Bother N#Cc1nc(Cl)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587166826 II Annotated Mild O=C(/C=C/c1nc2c(Br)cnc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166983 II Annotated Anodyne O=C(/C=C\c1nc2c(Br)cnc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166984 II Annotated Anodyne COc1cc(OC)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587167028 II Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167049 II Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587167056 II Annotated Anodyne COC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167061 II Annotated Anodyne O=C(/C=C/c1nc2c(I)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167157 II Annotated Anodyne O=C(/C=C\c1nc2c(I)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167158 II Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1OC ZINC000587167285 II Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587167452 II Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587167453 II Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587167490 II Annotated Anodyne O=C(O)c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1F ZINC000587167638 II Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c12 ZINC000587167643 II Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587167651 II Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587167653 II Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(N)ncnc4[nH]3)c12 ZINC000587167725 II Annotated Anodyne Cc1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2cc1[N+](=O)[O-] ZINC000587167741 II Annotated Bother COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167748 II Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cccc(I)c4[nH]3)c2C2CC2)cc1 ZINC000587167778 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1F ZINC000587168075 II Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168281 II Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(O)nc(O)nc4[nH]3)c12 ZINC000587168411 II Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587168431 II Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(O)nc(N)nc4[nH]3)c12 ZINC000587168719 II Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168728 II Annotated Bother Fc1ccc(-n2nnc(-c3nc4ccc(I)cc4[nH]3)c2C2CC2)cc1 ZINC000587168849 II Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587169241 II Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C ZINC000587169347 II Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C ZINC000587169349 II Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587169383 II Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587169384 II Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169693 II Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587169694 II Annotated Mild CN(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169770 II Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587170063 II Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587170064 II Annotated Anodyne CN(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170303 II Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1 ZINC000587170317 II Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc3ncccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170433 II Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc3ncccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170435 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F ZINC000587170647 II Annotated Bother O=S(=O)(Nc1ccsc1-c1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)cc1 ZINC000587170679 II Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnc3ccccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170709 II Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cnc3ccccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170710 II Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587170728 II Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587170729 II Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1[N+](=O)[O-] ZINC000587170917 II Annotated Bother Cc1cc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1[N+](=O)[O-] ZINC000587170919 II Annotated Bother Fc1cc2c(c(Cc3nc4c(Br)cnc(Br)c4[nH]3)c1)OCOC2 ZINC000587171208 II Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171416 II Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171417 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 ZINC000587171630 II Annotated Anodyne O=c1c(-c2nc3c(F)cnc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171725 II Annotated Anodyne Cc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172283 II Annotated Anodyne Cc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172284 II Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(O)c4[nH]2)cn3C2CC2)C1 ZINC000587172359 II Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(O)c4[nH]2)cn3C2CC2)C1 ZINC000587172360 II Annotated Anodyne Cc1cnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172507 II Annotated Anodyne Cc1cnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172509 II Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(O)cc4[nH]2)cn3C2CC2)C1 ZINC000587172555 II Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(O)cc4[nH]2)cn3C2CC2)C1 ZINC000587172556 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 ZINC000587172615 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 ZINC000587172616 II Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587172640 II Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587172641 II Annotated Anodyne Cc1cncc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172823 II Annotated Anodyne Cc1cncc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172824 II Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172995 II Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172996 II Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccccc4[nH]2)cn3C2CC2)C1 ZINC000587173471 II Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccccc4[nH]2)cn3C2CC2)C1 ZINC000587173472 II Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173488 II Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173489 II Annotated Anodyne Cc1nccc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587173501 II Annotated Anodyne Cc1nccc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587173502 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1 ZINC000587173825 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1 ZINC000587173826 II Annotated Anodyne C[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)Cc2ccc(F)cc2C(=O)O1 ZINC000587174960 II Annotated Clean C[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)Cc2ccc(F)cc2C(=O)O1 ZINC000587174961 II Annotated Clean Nc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cnc2c(F)cccc12 ZINC000587176264 II Annotated Anodyne Nc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cnc2c(F)cccc12 ZINC000587176267 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc4c(F)cccc4c3N)nc2c1 ZINC000587176759 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587176952 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 ZINC000587177526 II Annotated Anodyne Fc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177728 II Annotated Anodyne Fc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177752 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 ZINC000587177772 II Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587177797 II Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587177798 II Annotated Unstable O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587177865 II Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587177890 II Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 ZINC000587177999 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 ZINC000587178052 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587178250 II Annotated Unstable COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(I)c1 ZINC000587178437 II Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178439 II Annotated Bother COc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c(I)c1 ZINC000587178494 II Annotated Anodyne Oc1nc2cc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3cc2[nH]1 ZINC000587178645 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(OC)cc3I)nc2c1 ZINC000587178653 II Annotated Anodyne OCCc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178654 II Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cn1 ZINC000587178671 II Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1 ZINC000587178762 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587178837 II Annotated Anodyne COc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(I)c1 ZINC000587178912 II Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587179034 II Annotated Anodyne COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1Cl ZINC000587179044 II Annotated Anodyne COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(I)c1 ZINC000587179076 II Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(I)c1 ZINC000587179120 II Annotated Bother COc1cc(N)c(I)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587179270 II Annotated Anodyne COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(I)c1 ZINC000587179273 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587179342 II Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587179446 II Annotated Bother COc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(I)c1 ZINC000587179612 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587179733 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587179741 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587180021 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587180024 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587180145 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587180146 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nccc(Br)c2[nH]1 ZINC000587180160 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nccc(Br)c2[nH]1 ZINC000587180161 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000587180210 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587180222 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587180325 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587180330 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587180378 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587180391 II Annotated Anodyne COc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(I)c1 ZINC000587180410 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587180483 II Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587180608 II Annotated Anodyne Cc1c(Br)ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587180609 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587180658 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587180660 II Annotated Anodyne COc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(I)c1 ZINC000587180691 II Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c21 ZINC000587180816 II Annotated Unstable COc1cc(N)c(I)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587180902 II Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587180919 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(OC)cc(OC)cc2[nH]1 ZINC000587181007 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(OC)cc(OC)cc2[nH]1 ZINC000587181008 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(Br)cc2[nH]1 ZINC000587181022 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cnc(Br)cc2[nH]1 ZINC000587181023 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)nccc2[nH]1 ZINC000587181125 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)nccc2[nH]1 ZINC000587181126 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(Br)cc2[nH]1 ZINC000587181240 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc(Br)cc2[nH]1 ZINC000587181241 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Br)ccc2[nH]1 ZINC000587181401 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(Br)ccc2[nH]1 ZINC000587181403 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cncc2[nH]1 ZINC000587181499 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cncc2[nH]1 ZINC000587181500 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587181579 II Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587181580 II Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 ZINC000587181589 II Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 ZINC000587181590 II Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1 ZINC000587181693 II Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1 ZINC000587181694 II Annotated Bother Cc1c(I)cnn1[C@H](C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587181707 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587181708 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587181730 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587181731 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(Br)c2[nH]1 ZINC000587181910 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(Br)c2[nH]1 ZINC000587181911 II Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587181980 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587182016 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587182017 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587182020 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587182025 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587182026 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587182027 II Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587182044 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587182080 II Annotated Bother COC(=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1OC ZINC000587182092 II Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(I)ccc3F)nc12 ZINC000587182094 II Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 ZINC000587182220 II Annotated Anodyne Cc1nc2[nH]c(-c3cc(I)ccc3F)nc2cc1Br ZINC000587182333 II Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 ZINC000587182399 II Annotated Anodyne Cc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587182407 II Annotated Anodyne Cc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587182408 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587182426 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587182427 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587182435 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587182436 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)cc2[nH]1 ZINC000587182511 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)cc2[nH]1 ZINC000587182512 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587182581 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587182584 II Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587182656 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587182859 II Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587182861 II Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587182919 II Annotated Anodyne Cc1cc(Br)cc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587182920 II Annotated Anodyne Fc1ccc(I)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587182977 II Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587183035 II Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587183045 II Annotated Mild N[C@H](Cc1ccc(I)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587183229 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587183230 II Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c1 ZINC000587183335 II Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)n3ncc(I)c3C)nc2c1 ZINC000587183336 II Annotated Anodyne Ic1cccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587183505 II Annotated Anodyne Ic1cccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587183508 II Annotated Anodyne Brc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 ZINC000587183598 II Annotated Anodyne Brc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 ZINC000587183599 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587183606 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587183611 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587183625 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587183626 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587183681 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587183682 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587183699 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587183700 II Annotated Anodyne Brc1cncc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183715 II Annotated Anodyne Brc1cncc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183716 II Annotated Anodyne Brc1nccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183733 II Annotated Anodyne Brc1nccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183734 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587183767 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587183768 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587183819 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587183820 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587183851 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587183852 II Annotated Anodyne Brc1ccnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183911 II Annotated Anodyne Brc1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183912 II Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587184116 II Annotated Bother O=[N+]([O-])c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587184119 II Annotated Bother CN(C)CCOc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587184187 II Annotated Anodyne CN(C)CCOc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587184188 II Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cncc(I)c4)[nH]c3c2)cc1N ZINC000587184275 II Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184301 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587184304 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587184306 II Annotated Anodyne Clc1ncc(Br)c2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184334 II Annotated Anodyne CC[C@H](c1nc2cc(OC)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184608 II Annotated Anodyne CC[C@@H](c1nc2cc(OC)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184611 II Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cncc(I)c3)[nH]c2cn1 ZINC000587184708 II Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587184711 II Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587184712 II Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1OC ZINC000587184772 II Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1OC ZINC000587184774 II Annotated Anodyne CC[C@H](c1nc2cc(C#N)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184832 II Annotated Mild CC[C@@H](c1nc2cc(C#N)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184833 II Annotated Mild CC[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184838 II Annotated Anodyne CC[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184842 II Annotated Anodyne Fc1c(Br)cc2nc(-c3cncc(I)c3)[nH]c2c1F ZINC000587184953 II Annotated Anodyne Brc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1 ZINC000587185122 II Annotated Anodyne Brc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1 ZINC000587185123 II Annotated Anodyne Brc1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587185199 II Annotated Anodyne Brc1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587185200 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587185209 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587185210 II Annotated Anodyne COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Cl ZINC000587185238 II Annotated Anodyne COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Cl ZINC000587185239 II Annotated Anodyne CC[C@H](c1nc2cccc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185358 II Annotated Anodyne CC[C@@H](c1nc2cccc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185364 II Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587185401 II Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587185422 II Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](N)Cc4ccc(I)cc4)[nH]c32)n1 ZINC000587185538 II Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](N)Cc4ccc(I)cc4)[nH]c32)n1 ZINC000587185542 II Annotated Anodyne CC[C@H](c1nc2ccc(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185744 II Annotated Anodyne CC[C@@H](c1nc2ccc(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185747 II Annotated Anodyne CC[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185980 II Annotated Anodyne CC[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185982 II Annotated Anodyne Clc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c(Cl)n1 ZINC000587185995 II Annotated Anodyne Clc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2nc1Cl ZINC000587186016 II Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186127 II Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186128 II Annotated Anodyne CC[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186141 II Annotated Bother CC[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186142 II Annotated Bother CC[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186202 II Annotated Anodyne CC[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186203 II Annotated Anodyne Brc1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186342 II Annotated Anodyne Brc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587186354 II Annotated Anodyne Clc1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1Cl ZINC000587186409 II Annotated Anodyne CC[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186444 II Annotated Anodyne CC[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186445 II Annotated Anodyne CC[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186490 II Annotated Anodyne CC[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186491 II Annotated Anodyne Clc1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186748 II Annotated Anodyne Ic1nccnc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587186819 II Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186820 II Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl ZINC000587186823 II Annotated Bother Cc1c(Br)cc2nc(-c3nccnc3I)[nH]c2c1C ZINC000587186827 II Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587186899 II Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nccnc3I)[nH]c2cc1Cl ZINC000587186914 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C/c4ccccc4)[nH]c3c2)cc1 ZINC000587187084 II Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C\c4ccccc4)[nH]c3c2)cc1 ZINC000587187089 II Annotated Reactive FC(F)(F)Oc1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188469 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 ZINC000587188485 II Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 ZINC000587188487 II Annotated Reactive Fc1c(Cl)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1F ZINC000587188802 II Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1F ZINC000587188847 II Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188915 II Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc5ncc(I)n5c4)[nH]c32)n1 ZINC000587189015 II Annotated Anodyne CC1=C(c2ccc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587189633 II Annotated Anodyne CC1=C(c2ccc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587189634 II Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587189820 II Annotated Bother CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587189822 II Annotated Bother COC(=O)c1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587189987 II Annotated Anodyne COC(=O)c1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587189992 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2c1 ZINC000587190202 II Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2c1 ZINC000587190203 II Annotated Mild COC(=O)c1cc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2cc1OC ZINC000587190365 II Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2cc1OC ZINC000587190368 II Annotated Anodyne C#CCN(Cc1nc2cc(F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190471 II Annotated Mild N#Cc1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587190698 II Annotated Mild C#CCN(Cc1nc2nc(Cl)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190772 II Annotated Mild C#CCN(Cc1nc2cc(N)c(N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190856 II Annotated Mild N#Cc1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587191136 II Annotated Mild C#CCN(Cc1nc2c(Cl)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191174 II Annotated Mild CN1CCN(c2ccc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587191669 II Annotated Anodyne CN1CCN(c2ccc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587191673 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc(C#N)cc4)[nH]c3c2)cc1 ZINC000587191698 II Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Oc4ccc(C#N)cc4)[nH]c3c2)cc1 ZINC000587191699 II Annotated Mild C#CCN(Cc1nc2cnc(Cl)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191740 II Annotated Mild CN(CCO)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587192793 II Annotated Clean CN(CCO)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587192823 II Annotated Clean CN(CCO)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587192882 II Annotated Clean CCCCN(Cc1nc2c(N)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192933 II Annotated Anodyne CCCCN(Cc1nc2c[nH]c(=N)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193030 II Annotated Anodyne CN(CCO)c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587193066 II Annotated Clean CN(CCc1nc2c(Cl)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193079 II Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)Cc1ccccc1 ZINC000587193205 II Annotated Anodyne C#CCN(Cc1nc2ccnc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193278 II Annotated Mild C#CCN(Cc1nc2cncc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193327 II Annotated Mild O=C(O)CCN(CCc1nc2cc(Br)cc(Cl)c2[nH]1)Cc1ccccc1 ZINC000587193328 II Annotated Anodyne O=C(O)CCN(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)Cc1ccccc1 ZINC000587193362 II Annotated Bother C#CCN(Cc1nc2ccc(CO)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193393 II Annotated Mild O=C(O)CCN(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)Cc1ccccc1 ZINC000587193401 II Annotated Bother COc1cncc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193440 II Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587193462 II Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587193463 II Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCN(CCC(=O)O)Cc4ccccc4)[nH]c3c2)cc1 ZINC000587193535 II Annotated Clean CN(CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193620 II Annotated Anodyne C#CCN(Cc1nc2cc(OC)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193718 II Annotated Mild C#CCN(Cc1nc2ccc(OC)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193796 II Annotated Mild Cc1c(Br)cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1C ZINC000587193819 II Annotated Anodyne CN(CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193875 II Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Cl)cc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193877 II Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Br)c(F)c(F)c2[nH]1)Cc1ccccc1 ZINC000587194032 II Annotated Anodyne COc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587194067 II Annotated Anodyne O=C(O)CCN(CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Cc1ccccc1 ZINC000587194095 II Annotated Anodyne CN(CCc1nc2cccc(C(N)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194201 II Annotated Anodyne CN(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194231 II Annotated Bother COc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587194235 II Annotated Anodyne CN(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194264 II Annotated Bother CN(CCc1nc2cc(N)c(N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194482 II Annotated Anodyne CN(CCc1nc2ccc(CO)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194807 II Annotated Anodyne COc1nccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587194819 II Annotated Anodyne Cc1c(Br)cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587194855 II Annotated Anodyne Cc1c(Br)cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587194856 II Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587194888 II Annotated Clean CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587194889 II Annotated Clean CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587194894 II Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587194896 II Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(N(C)C)nc5C)[nH]c4c3)o2)cc1 ZINC000587195650 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C#N)cc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587195701 II Annotated Mild CC(C)(C)OC(=O)N(Cc1nc2cc(C#N)cc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587195702 II Annotated Mild C[C@H](c1ccc(N(C)C)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587195826 II Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587195827 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Cl)c(Br)cnc2[nH]1)C[C@@H]1CCCO1 ZINC000587196833 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Cl)c(Br)cnc2[nH]1)C[C@H]1CCCO1 ZINC000587196834 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)cnc(Cl)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196903 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)cnc(Cl)c2[nH]1)C[C@H]1CCCO1 ZINC000587196904 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(F)c(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587196961 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(F)c(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196962 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587197061 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197062 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197175 II Annotated Anodyne CC(C)[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197215 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197255 II Annotated Anodyne CC(C)[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C(=O)OC(C)(C)C ZINC000587197543 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c(F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197643 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c(F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197644 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)c(F)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197651 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)c(F)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197652 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197834 II Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197835 II Annotated Anodyne CC(C)[C@H](c1nc2cc(I)cnc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197980 II Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587198113 II Annotated Anodyne CC1=C(c2ccc3nc([C@H](C(C)C)N(C)C(=O)OCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587198294 II Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc2cc1OC ZINC000587198347 II Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587198413 II Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587198427 II Annotated Anodyne CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198565 II Annotated Bother CN(C)CCOc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587198690 II Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587198867 II Annotated Anodyne C[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199539 II Annotated Anodyne CCC[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199894 II Annotated Anodyne C[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199918 II Annotated Mild C[C@@H](c1nc2c(O)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200255 II Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587201377 II Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(I)cnc2[nH]1 ZINC000587201657 II Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587201965 II Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587202867 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)(C)C ZINC000587203667 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)(C)C ZINC000587203668 II Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587203978 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)(C)C ZINC000587204967 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)(C)C ZINC000587204968 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(I)cnc2[nH]1)C(C)(C)C ZINC000587205458 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(I)cnc2[nH]1)C(C)(C)C ZINC000587205460 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(C)=O)c3ccc(C)cc3)nc2c1 ZINC000587207790 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(C)cc3)nc2c1 ZINC000587207791 II Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587209349 II Annotated Anodyne CC(C)c1ccc([C@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212178 II Annotated Anodyne CC(C)c1ccc([C@@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212187 II Annotated Anodyne CC(C)c1ccc([C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212189 II Annotated Anodyne CC(C)c1ccc([C@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212191 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)CC5 ZINC000587212887 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)CC5 ZINC000587212889 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)CC5 ZINC000587212890 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)CC5 ZINC000587212892 II Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]2C1 ZINC000587214384 II Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@@H]2C1 ZINC000587214387 II Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4cccc5c4c3CC5)[C@@H]2C1 ZINC000587214389 II Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]2C1 ZINC000587214391 II Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3cccc4c3c1CC4)[C@@H]1CCO[C@@H]1O2 ZINC000587215463 II Annotated Anodyne O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216906 II Annotated Anodyne COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587218298 II Annotated Bother COc1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587218709 II Annotated Anodyne COc1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587218713 II Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587219597 II Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1 ZINC000587220438 II Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1 ZINC000587220440 II Annotated Anodyne COc1cncc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587220998 II Annotated Anodyne COc1cncc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587221002 II Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1 ZINC000587222433 II Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1 ZINC000587222436 II Annotated Anodyne COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587223146 II Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587223307 II Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587223309 II Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNC(=O)[C@H](C)Oc4ccccc4)[nH]c3c2)cc1 ZINC000587223372 II Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNC(=O)[C@@H](C)Oc4ccccc4)[nH]c3c2)cc1 ZINC000587223374 II Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587223747 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(I)cnc2[nH]1)C1CCCC1 ZINC000587224130 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(I)cnc2[nH]1)C1CCCC1 ZINC000587224131 II Annotated Anodyne CCCOc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587224350 II Annotated Anodyne CCCOc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587224352 II Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587224367 II Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587224369 II Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000587224483 II Annotated Anodyne COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587224583 II Annotated Anodyne CC(C)COc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587225002 II Annotated Anodyne CC(C)COc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587225004 II Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000587225038 II Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000587225052 II Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587225106 II Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587225107 II Annotated Anodyne CC(C)Oc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587225725 II Annotated Anodyne CC(C)Oc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587225726 II Annotated Anodyne COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587225753 II Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587225761 II Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587225762 II Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000587225801 II Annotated Anodyne CC1=C(c2ccc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587227172 II Annotated Anodyne CC1=C(c2ccc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587227173 II Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587227402 II Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587227852 II Annotated Mild CCCCCCCC(=O)NCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587227858 II Annotated Mild COC(=O)c1cc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587228099 II Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587228105 II Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000587228229 II Annotated Clean COC(=O)c1cc(Br)c2[nH]c(CCCNc3cc(C)ccc3OC)nc2c1 ZINC000587228604 II Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587229252 II Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C2CC2)n1 ZINC000587229258 II Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587229269 II Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C2CC2)n1 ZINC000587229311 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587229430 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587229433 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587229435 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587229437 II Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C2CC2)n1 ZINC000587229879 II Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(C2CC2)n1 ZINC000587229923 II Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587230144 II Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587230163 II Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587230165 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587230550 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587230553 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587230554 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587230555 II Annotated Anodyne O=C1CCc2cc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c3cc2N1 ZINC000587230657 II Annotated Anodyne Ic1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587230692 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587230990 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587230991 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587230992 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587230993 II Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587231222 II Annotated Anodyne CCCOc1cc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231227 II Annotated Anodyne CCCOc1cc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231228 II Annotated Anodyne CCCOc1cc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231230 II Annotated Anodyne CCCOc1cc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231232 II Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587231381 II Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587231385 II Annotated Bother N#Cc1cccnc1NCc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587231437 II Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587231498 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587231502 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587231506 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587231510 II Annotated Anodyne Ic1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587231518 II Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C2CC2)n1 ZINC000587232183 II Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(CNCc4ccco4)cc3)nc-2[nH]1 ZINC000587232218 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587232439 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587232441 II Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587232442 II Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587232443 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587232821 II Annotated Clean CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587232881 II Annotated Clean CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587232946 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587232982 II Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587233046 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587233073 II Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233231 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233257 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587233349 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587233377 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587233725 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCC(=O)CC1 ZINC000587233848 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587233891 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587233924 II Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587234079 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587234091 II Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCC(=O)CC1 ZINC000587234381 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCC(=O)CC1 ZINC000587234488 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCC(=O)CC1 ZINC000587234608 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCC(=O)CC1 ZINC000587234773 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCC(O)CC1 ZINC000587234786 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCC(=O)CC1 ZINC000587234827 II Annotated Anodyne CC(=O)NC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCC(C)CC1 ZINC000587234860 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCC(=O)CC1 ZINC000587234881 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CCC(=O)CC1 ZINC000587234902 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587235027 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587235164 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C#N)cc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587235416 II Annotated Mild CC(C)(C)OC(=O)NC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCC(=O)CC1 ZINC000587235487 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587236032 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCC(O)CC1 ZINC000587236510 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCC(O)CC1 ZINC000587237195 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCC(O)CC1 ZINC000587237206 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(O)CC1 ZINC000587237221 II Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCC(O)CC1 ZINC000587237227 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(O)CC1 ZINC000587237284 II Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCC(O)CC1 ZINC000587237534 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCC(O)CC1 ZINC000587237569 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CCC(O)CC1 ZINC000587237760 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCC(O)CC1 ZINC000587237763 II Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCC(O)CC1 ZINC000587237783 II Annotated Anodyne Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2cc1[N+](=O)[O-] ZINC000587238084 II Annotated Bother Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2cc1[N+](=O)[O-] ZINC000587238087 II Annotated Bother Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2cc1[N+](=O)[O-] ZINC000587238088 II Annotated Bother Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2cc1[N+](=O)[O-] ZINC000587238090 II Annotated Bother COc1cc(OC)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238874 II Annotated Anodyne COc1cc(OC)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238875 II Annotated Anodyne COc1cc(OC)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238877 II Annotated Anodyne COc1cc(OC)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238878 II Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(I)cnc(Cl)c3[nH]2)c1C ZINC000587239238 II Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(Br)cnc(Br)c3[nH]2)c1C ZINC000587239587 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000587239715 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239721 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239722 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239723 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239725 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587240004 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587240005 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587240007 II Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587240009 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240049 II Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240050 II Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240051 II Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240052 II Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240350 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240353 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240354 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240356 II Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1OC ZINC000587240360 II Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1OC ZINC000587240361 II Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1OC ZINC000587240362 II Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1OC ZINC000587240363 II Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(O)c1 ZINC000587240648 II Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240804 II Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240805 II Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240806 II Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240807 II Annotated Mild CCc1ccccc1NC(=O)c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587240931 II Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587240962 II Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(O)cc(NC(=O)OC(C)(C)C)c4)[nH]c3c2)NNC(=O)C1 ZINC000587241434 II Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587242399 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 ZINC000587243743 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 ZINC000587243746 II Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587243992 II Annotated Anodyne Cc1nc2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2cc1Br ZINC000587244769 II Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587244933 II Annotated Mild COC(=O)Nc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cn1 ZINC000587245077 II Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cn1 ZINC000587245786 II Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC(C)C)c(Br)cc3[nH]1)C2 ZINC000587245908 II Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC(C)C)c(Br)cc3[nH]1)C2 ZINC000587245909 II Annotated Anodyne CCCOc1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587246021 II Annotated Anodyne CCCOc1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587246022 II Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587246043 II Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2c1 ZINC000587247474 II Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587247745 II Annotated Anodyne Nc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1CC(=O)O ZINC000587249059 II Annotated Anodyne Nc1cccc(O)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587249254 II Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587249352 II Annotated Anodyne Nc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587249354 II Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587250326 II Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(C(=O)O)cc5N)[nH]c4c3)o2)cc1 ZINC000587250335 II Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587250408 II Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587250697 II Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587250739 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1 ZINC000587251056 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5cc(N)ccc5o4)[nH]c3c2)cc1 ZINC000587252323 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 ZINC000587252408 II Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cn1 ZINC000587253632 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cnc(N)nc4)c3)nc2c1 ZINC000587254818 II Annotated Anodyne N[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CC1 ZINC000587255713 II Annotated Bother CCCCCOc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587256412 II Annotated Anodyne CCCCOc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587256739 II Annotated Anodyne NC1CCC(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587256889 II Annotated Anodyne CC(C)CCOc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587256890 II Annotated Anodyne CC(C)(C)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587257412 II Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587258218 II Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587258993 II Annotated Anodyne CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259931 II Annotated Bother CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259932 II Annotated Bother CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259933 II Annotated Bother CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259934 II Annotated Bother Nc1ccc(-c2ccc3nc([C@@H](N)CCCNC(=O)OCc4ccccc4)[nH]c3c2)cc1N ZINC000587260353 II Annotated Anodyne N#Cc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587260386 II Annotated Mild CC(C)CCOc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587260471 II Annotated Anodyne CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260684 II Annotated Bother CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260685 II Annotated Bother CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260687 II Annotated Bother CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260689 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587261477 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587261480 II Annotated Bother CCCOc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261554 II Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CCOc3cc(C)ccc3[N+](=O)[O-])nc2c1 ZINC000587261591 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587261876 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587261881 II Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000587262005 II Annotated Mild Cc1cc(C#Cc2nc3c(Br)cnc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262158 II Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262190 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262191 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262192 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262193 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587262194 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587262195 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262196 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262197 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262198 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262199 II Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262388 II Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587262389 II Annotated Clean COCCNc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262563 II Annotated Bother COCCNc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262572 II Annotated Bother CC(C)Oc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587262642 II Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587262720 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587262723 II Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262896 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587262991 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587262993 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587263062 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587263063 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587263376 II Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587263377 II Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587263509 II Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587263510 II Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587263511 II Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587263512 II Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587263568 II Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587263569 II Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587263570 II Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587263571 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccnc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264075 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(Br)ccnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264236 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cncc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264283 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)ncc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264294 II Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(I)cc3[nH]2)o1 ZINC000587264521 II Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)o1 ZINC000587264613 II Annotated Bother CC(C)COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587264660 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Br)nc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264685 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(C)c(Br)cnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264712 II Annotated Bother COCCOc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264723 II Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587264874 II Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587264999 II Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587265002 II Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587265003 II Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587265004 II Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587265165 II Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587265450 II Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587265453 II Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587265455 II Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587265457 II Annotated Bother Cc1nc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2cc1Br ZINC000587265606 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265646 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265652 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265656 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265660 II Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587265667 II Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587265810 II Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587265913 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265953 II Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265955 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265957 II Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265960 II Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587266034 II Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587266068 II Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000587266215 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(O)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266223 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)cnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266230 II Annotated Bother CCCCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587266405 II Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587266808 II Annotated Bother COC(=O)c1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587266900 II Annotated Bother COC(=O)c1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587266907 II Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587267074 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587267091 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587267092 II Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587267315 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)c1[N+](=O)[O-] ZINC000587267386 II Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587267450 II Annotated Mild Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587267476 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587267477 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(F)cnc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267510 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587267542 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587267543 II Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267634 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587267668 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587267669 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587267726 II Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587267727 II Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587267756 II Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587268197 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5ncc([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 ZINC000587268271 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5ncc([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 ZINC000587268272 II Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(Cc4c([N+](=O)[O-])cnn4C(C)C)[nH]c3c2)cc1 ZINC000587268287 II Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587268351 II Annotated Bother Nc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268424 II Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587268487 II Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587268516 II Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587268770 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000587268791 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587268793 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CNc5ncccc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587268827 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000587268909 II Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587269058 II Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587269157 II Annotated Bother CCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587269258 II Annotated Bother COC(=O)c1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587269278 II Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)cc1 ZINC000587269312 II Annotated Bother CC(C)Oc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587269356 II Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587269405 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587269548 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587269573 II Annotated Bother COC(=O)c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587269688 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000587269725 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000587269766 II Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587269801 II Annotated Bother CCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587269846 II Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(I)cnc4[nH]3)c2)c1 ZINC000587269869 II Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587269931 II Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587269932 II Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1 ZINC000587269979 II Annotated Bother N[C@@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269999 II Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587270017 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587270051 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587270069 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000587270169 II Annotated Bother CC(C)Oc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587270202 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000587270289 II Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 ZINC000587270438 II Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000587270590 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587270595 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587270858 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587271008 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587271053 II Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587271059 II Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@@H]1CC=C[C@@H]21 ZINC000587272653 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@H]1CC=C[C@H]21 ZINC000587272655 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@@H]1CC=C[C@H]21 ZINC000587272656 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@H]1CC=C[C@@H]21 ZINC000587272657 II Annotated Clean Cc1c(Br)cccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272721 II Annotated Anodyne Cc1cc(Br)ccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272890 II Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)Cc1ccccc1 ZINC000587272940 II Annotated Reactive O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)Cc1ccccc1 ZINC000587272942 II Annotated Reactive O=C(Cc1ccccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587273067 II Annotated Anodyne COc1cc(Br)ccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273101 II Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587273121 II Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587273277 II Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587273280 II Annotated Bother O=C(Cc1cccc(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273363 II Annotated Anodyne Cn1nc([N+](=O)[O-])cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587273485 II Annotated Bother COC(=O)c1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587273674 II Annotated Bother COC(=O)c1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587273675 II Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587273711 II Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587273712 II Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587273983 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CCCn5ccc([N+](=O)[O-])n5)[nH]c4c3)o2)cc1 ZINC000587274054 II Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)c1ccccc1 ZINC000587274348 II Annotated Reactive O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)c1ccccc1 ZINC000587274354 II Annotated Reactive O=C(Cc1ccc(Br)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587274530 II Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587274598 II Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587274599 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Cn5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1 ZINC000587274809 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Cn5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1 ZINC000587274810 II Annotated Bother CC(C)CCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br ZINC000587275093 II Annotated Bother O=C(c1cc(F)ccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587275448 II Annotated Anodyne O=C(c1c(F)cccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587275451 II Annotated Anodyne COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C(F)(F)F ZINC000587275455 II Annotated Anodyne CSc1nsc(SC)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275498 II Annotated Anodyne O=C(Cc1c(F)c(F)c(F)c(F)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275500 II Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587275502 II Annotated Bother O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275510 II Annotated Bother O=C(c1cc(Cl)nc(-c2ccccc2)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275511 II Annotated Anodyne O=C(c1ccc(Br)c(F)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275631 II Annotated Anodyne O=C(c1cc(F)cc(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275662 II Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275760 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275765 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275766 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275770 II Annotated Clean O=C(c1cc(Br)ccc1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275907 II Annotated Anodyne O=C(c1cc2cc([N+](=O)[O-])ccc2s1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275920 II Annotated Bother O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275937 II Annotated Bother O=C(c1ccc(Br)cc1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275940 II Annotated Anodyne CCCc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cnn1-c1ccccc1 ZINC000587275972 II Annotated Anodyne O=C(c1ccc(C(=O)C(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276014 II Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2cc1OC ZINC000587276037 II Annotated Clean COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2cc1OC ZINC000587276038 II Annotated Clean COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2cc1OC ZINC000587276039 II Annotated Clean COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2cc1OC ZINC000587276040 II Annotated Clean O=C(c1cccc(Br)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276164 II Annotated Anodyne O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276203 II Annotated Bother Cc1c(Br)csc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276204 II Annotated Anodyne Cc1cncc(Oc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)n1 ZINC000587276205 II Annotated Anodyne CO[C@](C(=O)c1c(CO)oc2cc(Br)cnc12)(c1ccccc1)C(F)(F)F ZINC000587276223 II Annotated Anodyne CO[C@@](C(=O)c1c(CO)oc2cc(Br)cnc12)(c1ccccc1)C(F)(F)F ZINC000587276228 II Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276387 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276391 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276393 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276395 II Annotated Clean O=C(c1ccc(F)cc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587276441 II Annotated Anodyne O=C(c1ccc(F)c(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276478 II Annotated Anodyne CSc1nc(Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c(Cl)n1 ZINC000587276499 II Annotated Anodyne O=C(c1c(F)cc(Br)cc1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276676 II Annotated Anodyne CCCCOc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1[N+](=O)[O-] ZINC000587276684 II Annotated Bother O=C(c1cccc(F)c1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587276702 II Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1 ZINC000587276951 II Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1 ZINC000587276952 II Annotated Bother O=C(c1cc(F)c(F)cc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587276998 II Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587277032 II Annotated Anodyne O=C(c1ccc(COCC(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277052 II Annotated Anodyne CC(C)n1nc(C(F)(F)F)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587277059 II Annotated Anodyne O=C(c1cc(C(F)(F)F)cnc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587277073 II Annotated Anodyne O=C(COc1ccc(OC(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277079 II Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587277184 II Annotated Clean CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587277185 II Annotated Clean CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587277186 II Annotated Clean CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587277187 II Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1OC ZINC000587277274 II Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1OC ZINC000587277275 II Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1OC ZINC000587277276 II Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1OC ZINC000587277277 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277584 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277585 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277586 II Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277587 II Annotated Clean Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)nnn1Cc1ccc(Br)cc1 ZINC000587280039 II Annotated Bother O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280114 II Annotated Bother CCCN(CCC)S(=O)(=O)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587280264 II Annotated Bother O=C1c2ccc(O)cc2OC(CBr)(CBr)[C@H]1c1ccc(F)cc1 ZINC000587320260 II Annotated Reactive O=C1c2ccc(O)cc2OC(CBr)(CBr)[C@@H]1c1ccc(F)cc1 ZINC000587320263 II Annotated Reactive C[C@@]1(c2ncncc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321316 II Annotated Anodyne C[C@]1(c2ncncc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321318 II Annotated Anodyne C[C@]1(c2ncncc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321323 II Annotated Anodyne C[C@@]1(c2ncncc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321328 II Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321365 II Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321367 II Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321368 II Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321370 II Annotated Anodyne Cn1ncc(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323242 II Annotated Anodyne Cn1ncc(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323247 II Annotated Anodyne Cn1ncc(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323249 II Annotated Anodyne Cn1ncc(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323250 II Annotated Anodyne Cc1nn(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323260 II Annotated Reactive Cc1nn(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323271 II Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323272 II Annotated Reactive Cc1nn(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323275 II Annotated Reactive C[C@@]1(c2ncc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323493 II Annotated Anodyne C[C@]1(c2ncc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323494 II Annotated Anodyne C[C@]1(c2ncc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323495 II Annotated Anodyne C[C@@]1(c2ncc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323496 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587323613 II Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587323614 II Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587323615 II Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587323616 II Annotated Reactive C[C@]1(Cn2cc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324754 II Annotated Anodyne C[C@@]1(Cn2cc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324755 II Annotated Anodyne C[C@@]1(Cn2cc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324756 II Annotated Anodyne C[C@]1(Cn2cc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324757 II Annotated Anodyne COc1ccc([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587325192 II Annotated Anodyne COc1ccc([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587325193 II Annotated Anodyne COc1ccc([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587325194 II Annotated Anodyne COc1ccc([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587325195 II Annotated Anodyne CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587325982 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587325983 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587325984 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587325985 II Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587326350 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587326351 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587326352 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587326353 II Annotated Anodyne Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326446 II Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326460 II Annotated Reactive Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326461 II Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326463 II Annotated Reactive O=C1c2ccc(O)cc2OC2(CCN(c3ccc(Cl)nn3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587327374 II Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(Cl)nn3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587327375 II Annotated Anodyne COC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327787 II Annotated Reactive COC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327790 II Annotated Reactive COC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327792 II Annotated Reactive COC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327794 II Annotated Reactive CC(=O)OC[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327932 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327933 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327934 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327935 II Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 ZINC000587328422 II Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 ZINC000587328428 II Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 ZINC000587328429 II Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 ZINC000587328431 II Annotated Anodyne O=C(CCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328931 II Annotated Reactive O=C(CCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328933 II Annotated Reactive O=C(CCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328935 II Annotated Reactive O=C(CCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328937 II Annotated Reactive COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329888 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329894 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329897 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329901 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(Cn2nnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330012 II Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cn2nnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330013 II Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cn2nnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587330014 II Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cn2nnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587330015 II Annotated Reactive CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330265 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330273 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330277 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330279 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(C(F)(F)F)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587330308 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(C(F)(F)F)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587330314 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(C(F)(F)F)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587330316 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(C(F)(F)F)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587330318 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330875 II Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330883 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330885 II Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330887 II Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330901 II Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330902 II Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330904 II Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330905 II Annotated Anodyne C=CCOC(=O)NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331075 II Annotated Mild C=CCOC(=O)NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331076 II Annotated Mild CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331160 II Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331164 II Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331179 II Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331183 II Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331331 II Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331350 II Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331352 II Annotated Anodyne Cn1c(C(F)(F)C(=O)O)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331363 II Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331829 II Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331834 II Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331839 II Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331841 II Annotated Anodyne CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331898 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331908 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332136 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332138 II Annotated Mild COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587332170 II Annotated Bother COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587332177 II Annotated Bother COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587332179 II Annotated Bother CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332181 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332182 II Annotated Mild COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587332183 II Annotated Bother CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332184 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332186 II Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332233 II Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332238 II Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332240 II Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332241 II Annotated Mild C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332289 II Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332297 II Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332298 II Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332300 II Annotated Unstable COC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332482 II Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332489 II Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332490 II Annotated Anodyne COC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332492 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3c(F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587332717 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3c(F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587332728 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3c(F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587332731 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3c(F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587332736 II Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332778 II Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332779 II Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332782 II Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332784 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332866 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332869 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332871 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332873 II Annotated Anodyne CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332911 II Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332922 II Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332925 II Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332929 II Annotated Mild C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332969 II Annotated Anodyne C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332973 II Annotated Anodyne C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332977 II Annotated Anodyne C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332980 II Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333211 II Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333214 II Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333215 II Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333216 II Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333219 II Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333221 II Annotated Anodyne CN(C)C(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333535 II Annotated Anodyne CN(C)C(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333537 II Annotated Anodyne CN(C)C(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333539 II Annotated Anodyne CN(C)C(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333542 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333629 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333633 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333638 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333642 II Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333900 II Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333902 II Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333904 II Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333907 II Annotated Anodyne N#CC[C@@]1(c2cccc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334239 II Annotated Mild N#CC[C@]1(c2cccc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334241 II Annotated Mild N#CC[C@@]1(c2cccc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334244 II Annotated Mild N#CC[C@]1(c2cccc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334253 II Annotated Mild O=C(O)CCN1N=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334402 II Annotated Anodyne O=C(O)CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334412 II Annotated Anodyne O=C(O)CCN1N=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334416 II Annotated Anodyne O=C(O)CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334422 II Annotated Anodyne C[C@@]1(Cn2cnc3ccccc3c2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334452 II Annotated Anodyne C[C@]1(Cn2cnc3ccccc3c2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334475 II Annotated Anodyne C[C@@]1(Cn2cnc3ccccc3c2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334478 II Annotated Anodyne C[C@]1(Cn2cnc3ccccc3c2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334480 II Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334886 II Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334889 II Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334891 II Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334893 II Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335010 II Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335022 II Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335024 II Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335027 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335512 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335513 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335514 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335516 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](N=O)C2 ZINC000587335642 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](N=O)C2 ZINC000587335647 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](N=O)C2 ZINC000587335651 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](N=O)C2 ZINC000587335653 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335860 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335862 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335866 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335870 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2cccnc2=O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587335885 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2cccnc2=O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587335890 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2cccnc2=O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587335894 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2cccnc2=O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587335897 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccccn2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587335900 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccccn2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587335907 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccccn2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587335908 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccccn2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587335913 II Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336359 II Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336361 II Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336368 II Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336370 II Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336398 II Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336403 II Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336409 II Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336416 II Annotated Anodyne CN1CC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587336869 II Annotated Anodyne CN1CC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587336873 II Annotated Anodyne CN1CC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587336876 II Annotated Anodyne CN1CC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587336878 II Annotated Anodyne CCOCCCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000587336901 II Annotated Anodyne CCOCCCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000587336905 II Annotated Anodyne CCOCCCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000587336909 II Annotated Anodyne CCOCCCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000587336911 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587337848 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587337862 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587337865 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587337870 II Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337898 II Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337904 II Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337908 II Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337910 II Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338032 II Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338034 II Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338035 II Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338039 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338266 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338268 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338269 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338271 II Annotated Anodyne C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338316 II Annotated Bother C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338332 II Annotated Bother C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338334 II Annotated Bother C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338337 II Annotated Bother CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338349 II Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338351 II Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338353 II Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338360 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338449 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338451 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338453 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338456 II Annotated Anodyne Cn1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587338461 II Annotated Anodyne Cn1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587338464 II Annotated Anodyne Cn1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587338470 II Annotated Anodyne Cn1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587338474 II Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338531 II Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338538 II Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338541 II Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338543 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@@H](O)c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587338885 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@H](O)c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587338892 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@H](O)c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587338893 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@@H](O)c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587338895 II Annotated Anodyne CC(=O)NCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339143 II Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339145 II Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339147 II Annotated Anodyne CC(=O)NCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339150 II Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H]1c1ccc(F)cc1 ZINC000587339449 II Annotated Bother O=C1c2ccc(O)cc2OC2(CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H]1c1ccc(F)cc1 ZINC000587339453 II Annotated Bother C[C@@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339926 II Annotated Anodyne C[C@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339927 II Annotated Anodyne C[C@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339929 II Annotated Anodyne C[C@@]1(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339931 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3C(=O)n3ccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587340143 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3C(=O)n3ccnc32)[C@H]1c1ccc(F)cc1 ZINC000587340147 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C(=O)n3ccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587340149 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C(=O)n3ccnc32)[C@H]1c1ccc(F)cc1 ZINC000587340159 II Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340537 II Annotated Anodyne CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340542 II Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340545 II Annotated Anodyne CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340549 II Annotated Anodyne C[C@@]1(c2cn(CC(N)=O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340604 II Annotated Anodyne C[C@]1(c2cn(CC(N)=O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340608 II Annotated Anodyne C[C@]1(c2cn(CC(N)=O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340850 II Annotated Anodyne C[C@@]1(c2cn(CC(N)=O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340853 II Annotated Anodyne CCOCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587340922 II Annotated Anodyne CCOCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587340930 II Annotated Anodyne CCOCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587340934 II Annotated Anodyne CCOCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587340938 II Annotated Anodyne COC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340945 II Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340951 II Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340956 II Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340963 II Annotated Mild O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587340965 II Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587340971 II Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587340973 II Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 ZINC000587340977 II Annotated Anodyne C[C@@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341238 II Annotated Anodyne C[C@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341239 II Annotated Anodyne C[C@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341241 II Annotated Anodyne C[C@@]1(c2cccc(N3C(=O)C=CC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341242 II Annotated Anodyne [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341275 II Annotated Clean [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341276 II Annotated Clean [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341277 II Annotated Clean [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341278 II Annotated Clean C[C@@]1(CC(=O)NCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341392 II Annotated Anodyne C[C@]1(CC(=O)NCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341394 II Annotated Anodyne C[C@]1(CC(=O)NCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341397 II Annotated Anodyne C[C@@]1(CC(=O)NCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341398 II Annotated Anodyne O=CNc1ccccc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341475 II Annotated Anodyne O=CNc1ccccc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341478 II Annotated Anodyne O=CNc1ccccc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341483 II Annotated Anodyne O=CNc1ccccc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341486 II Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587341618 II Annotated Bother Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587341620 II Annotated Bother Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587341622 II Annotated Bother Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587341624 II Annotated Bother C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341704 II Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341706 II Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341708 II Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341710 II Annotated Anodyne CN(C)C(=O)COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341832 II Annotated Anodyne CN(C)C(=O)COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341835 II Annotated Anodyne CN(C)C(=O)COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341836 II Annotated Anodyne CN(C)C(=O)COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341839 II Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341847 II Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341849 II Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341851 II Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341853 II Annotated Anodyne COC(=O)c1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341863 II Annotated Mild COC(=O)c1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341865 II Annotated Mild COC(=O)c1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341867 II Annotated Mild COC(=O)c1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341869 II Annotated Mild COc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccn1 ZINC000587341998 II Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccn1 ZINC000587341999 II Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccn1 ZINC000587342000 II Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccn1 ZINC000587342001 II Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342029 II Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342031 II Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342033 II Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342035 II Annotated Anodyne C[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342111 II Annotated Anodyne C[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342113 II Annotated Anodyne C[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342115 II Annotated Anodyne C[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342116 II Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)nc1OC ZINC000587342137 II Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)nc1OC ZINC000587342138 II Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)nc1OC ZINC000587342139 II Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)nc1OC ZINC000587342140 II Annotated Anodyne Cn1ccnc1[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342353 II Annotated Anodyne Cn1ccnc1[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342354 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)C(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587342357 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)C(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587342358 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)C(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587342359 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)C(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587342360 II Annotated Anodyne Cn1ccnc1[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342409 II Annotated Anodyne Cn1ccnc1[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342410 II Annotated Anodyne C[C@]1(c2cn(Cc3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342526 II Annotated Anodyne C[C@@]1(c2cn(Cc3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342530 II Annotated Anodyne C[C@]1(c2cn(Cc3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342532 II Annotated Anodyne C[C@@]1(c2cn(Cc3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342533 II Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342559 II Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342562 II Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342565 II Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342566 II Annotated Anodyne C[C@@]1(c2ccc(N3CCNC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342765 II Annotated Anodyne C[C@]1(c2ccc(N3CCNC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342766 II Annotated Anodyne C[C@@]1(c2ccc(N3CCNC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342768 II Annotated Anodyne C[C@]1(c2ccc(N3CCNC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342770 II Annotated Anodyne NC(=O)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587343072 II Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587343074 II Annotated Anodyne NC(=O)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587343075 II Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587343076 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cnn(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587343119 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cnn(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587343129 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cnn(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587343131 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cnn(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587343134 II Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343543 II Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343544 II Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343545 II Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343546 II Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 ZINC000587344054 II Annotated Clean Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 ZINC000587344057 II Annotated Clean Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 ZINC000587344058 II Annotated Clean Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 ZINC000587344061 II Annotated Clean C=CN1CC[C@H]([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344244 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344246 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344247 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344249 II Annotated Anodyne O=C1c2ccc(O)cc2OC2(CN(C(=O)OCc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587344317 II Annotated Anodyne O=C1c2ccc(O)cc2OC2(CN(C(=O)OCc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587344318 II Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344325 II Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344326 II Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344327 II Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344328 II Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587344684 II Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587344685 II Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587344686 II Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587344687 II Annotated Anodyne C[C@@]1(c2cccc(N3CCNC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344824 II Annotated Anodyne C[C@]1(c2cccc(N3CCNC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344826 II Annotated Anodyne C[C@@]1(c2cccc(N3CCNC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344827 II Annotated Anodyne C[C@]1(c2cccc(N3CCNC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344831 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344858 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344864 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344866 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344867 II Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(N4CCCC4)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587345332 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(N4CCCC4)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587345337 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(N4CCCC4)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587345339 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(N4CCCC4)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587345344 II Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345461 II Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345464 II Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345466 II Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345472 II Annotated Anodyne CN1CCC[C@H]([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587345589 II Annotated Anodyne CN1CCC[C@H]([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587345595 II Annotated Anodyne CN1CCC[C@H]([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587345596 II Annotated Anodyne CN1CCC[C@H]([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587345598 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccnc3-c3ncccc32)[C@H]1c1ccc(F)cc1 ZINC000587345727 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccnc3-c3ncccc32)[C@H]1c1ccc(F)cc1 ZINC000587345729 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccnc3-c3ncccc32)[C@@H]1c1ccc(F)cc1 ZINC000587345731 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccnc3-c3ncccc32)[C@@H]1c1ccc(F)cc1 ZINC000587345734 II Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587345879 II Annotated Mild C[C@@]1(c2ccc(N3CCNCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345882 II Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345883 II Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587345884 II Annotated Mild C[C@]1(c2ccc(N3CCNCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345885 II Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345886 II Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587346152 II Annotated Mild CC(C)OC1=C(OC(C)C)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587346156 II Annotated Mild O=C(O)c1nc[nH]c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346803 II Annotated Anodyne O=C(O)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346807 II Annotated Anodyne O=C(O)c1nc[nH]c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346808 II Annotated Anodyne O=C(O)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346810 II Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347074 II Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347076 II Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347078 II Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347080 II Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347660 II Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347662 II Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347663 II Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347665 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)[C@H]1c1ccc(F)cc1 ZINC000587347811 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)[C@@H]1c1ccc(F)cc1 ZINC000587347813 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)[C@H]1c1ccc(F)cc1 ZINC000587347816 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)[C@@H]1c1ccc(F)cc1 ZINC000587347818 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348197 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348204 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348207 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348210 II Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CC(=O)O ZINC000587348277 II Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CC(=O)O ZINC000587348280 II Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348403 II Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348404 II Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348411 II Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348412 II Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348488 II Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348489 II Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348491 II Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348493 II Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CC(=O)O ZINC000587348526 II Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CC(=O)O ZINC000587348529 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348872 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348874 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348880 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348884 II Annotated Anodyne O=C(O)CCCC1(CCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349330 II Annotated Anodyne O=C(O)CCCC1(CCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349340 II Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349470 II Annotated Anodyne COC(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349474 II Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349480 II Annotated Anodyne COC(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349492 II Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587349527 II Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587349537 II Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587349546 II Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587349553 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349911 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349913 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349915 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349917 II Annotated Anodyne O=C1C[C@]2(C[C@H](Cc3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350116 II Annotated Anodyne O=C1C[C@]2(C[C@@H](Cc3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350120 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350123 II Annotated Anodyne O=C1C[C@]2(C[C@@H](Cc3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350128 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350133 II Annotated Anodyne O=C1C[C@]2(C[C@H](Cc3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350134 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350145 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350159 II Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350301 II Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350310 II Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350314 II Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350319 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350594 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350595 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350596 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350597 II Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2c(C#N)cnn12 ZINC000587350622 II Annotated Mild Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2c(C#N)cnn12 ZINC000587350623 II Annotated Mild Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2c(C#N)cnn12 ZINC000587350624 II Annotated Mild Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2c(C#N)cnn12 ZINC000587350625 II Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N3CCc4cccc2c43)[C@@H]1c1ccc(F)cc1 ZINC000587350870 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC(=O)N3CCc4cccc2c43)[C@H]1c1ccc(F)cc1 ZINC000587350877 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N3CCc4cccc2c43)[C@H]1c1ccc(F)cc1 ZINC000587350885 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC(=O)N3CCc4cccc2c43)[C@@H]1c1ccc(F)cc1 ZINC000587350889 II Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350986 II Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350987 II Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350992 II Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350997 II Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351086 II Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351090 II Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351094 II Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351097 II Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351220 II Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351221 II Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351222 II Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351223 II Annotated Anodyne COC1=C(OC)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1=O ZINC000587351943 II Annotated Mild COC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1=O ZINC000587351952 II Annotated Mild COC1=C(OC)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1=O ZINC000587351955 II Annotated Mild COC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1=O ZINC000587351962 II Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352308 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352309 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352310 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352311 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352806 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352807 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352808 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352809 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353648 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353654 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353655 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353657 II Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353957 II Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353959 II Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353962 II Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353963 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353993 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353995 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353997 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353999 II Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354188 II Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354189 II Annotated Anodyne COC[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354190 II Annotated Anodyne COC[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354191 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354415 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354420 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354426 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354428 II Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355197 II Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355199 II Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355201 II Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355205 II Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355370 II Annotated Anodyne COc1ccc([C@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355373 II Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355375 II Annotated Anodyne COc1ccc([C@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355378 II Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587355470 II Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587355472 II Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587355474 II Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587355477 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C(=O)O)=CO2 ZINC000587355736 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C(=O)O)=CO2 ZINC000587355737 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C(=O)O)=CO2 ZINC000587355855 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C(=O)O)=CO2 ZINC000587355857 II Annotated Anodyne CC(C)(C)OC(=O)[C@]1(C2=COCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355964 II Annotated Anodyne CC(C)(C)OC(=O)[C@]1(C2=COCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355965 II Annotated Anodyne CC(C)(C)OC(=O)[C@@]1(C2=COCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355966 II Annotated Anodyne CC(C)(C)OC(=O)[C@@]1(C2=COCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355967 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356905 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356906 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356907 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356908 II Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357644 II Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357647 II Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357649 II Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357651 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357807 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357808 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357809 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357810 II Annotated Anodyne O=C1c2ccc(O)cc2OC(C2CCOCC2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587358221 II Annotated Anodyne O=C1c2ccc(O)cc2OC(C2CCOCC2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587358224 II Annotated Anodyne C[C@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358390 II Annotated Anodyne C[C@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358404 II Annotated Anodyne C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358406 II Annotated Anodyne C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358408 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359994 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359996 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359997 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359999 II Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360266 II Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360268 II Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360272 II Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360275 II Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360329 II Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360333 II Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360335 II Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360336 II Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360729 II Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360731 II Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360732 II Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360734 II Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360860 II Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360861 II Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360997 II Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360999 II Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361247 II Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361248 II Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361250 II Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361251 II Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361404 II Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361405 II Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361406 II Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361407 II Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@](CC(N)=O)(C(=O)O)CCC3)c1 ZINC000587361957 II Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@](CC(N)=O)(C(=O)O)CCC3)c1 ZINC000587361959 II Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1C(=O)OC ZINC000587362680 II Annotated Anodyne CCOC(=O)Cn1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)nn1 ZINC000587362815 II Annotated Anodyne CCOC(=O)c1cn(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)nn1 ZINC000587363397 II Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C(=O)OC ZINC000587363789 II Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C(=O)OC ZINC000587363792 II Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C(=O)OC ZINC000587363794 II Annotated Anodyne COC(=O)[C@@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@H]1C(=O)OC ZINC000587363796 II Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CCc1ccc2c(O)nc(O)nc2n1 ZINC000587365056 II Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCc2cc4c(O)nc(O)nc4nc2-3)cc1 ZINC000587366712 II Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587367561 II Annotated Anodyne O=C(O)[C@@H](c1cccc(F)c1)c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587368056 II Annotated Anodyne O=C(O)[C@H](c1cccc(F)c1)c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587368057 II Annotated Anodyne Oc1nc(O)c2ccc(/C=C/c3c(Br)cccc3OC(F)(F)F)nc2n1 ZINC000587368523 II Annotated Anodyne Cn1c(=O)c(-c2ccc3c(O)nc(O)nc3n2)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000587368752 II Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587369084 II Annotated Mild Oc1ccc2c(-c3ccc4c(O)nc(O)nc4n3)ccc(OCc3ccc(F)cc3)c2n1 ZINC000587369215 II Annotated Anodyne N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369474 II Annotated Reactive N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369475 II Annotated Reactive N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369476 II Annotated Reactive N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369477 II Annotated Reactive C[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369562 II Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369563 II Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369564 II Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369565 II Annotated Anodyne C[C@]1(c2cccc(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369787 II Annotated Anodyne C[C@@]1(c2cccc(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369788 II Annotated Anodyne C[C@@]1(c2cccc(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369789 II Annotated Anodyne C[C@]1(c2cccc(NS(C)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369790 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCNCC3)Oc3ccc(Br)cc31)O2 ZINC000587370657 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCNCC3)Oc3ccc(Br)cc31)O2 ZINC000587370665 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 ZINC000587370799 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 ZINC000587370810 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)O2 ZINC000587370938 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)O2 ZINC000587370943 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)O2 ZINC000587370944 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)O2 ZINC000587370946 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(CCC(=O)O)=COc2ccc(Br)cc21 ZINC000587371123 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(CCC(=O)O)=COc2ccc(Br)cc21 ZINC000587371129 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371130 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371133 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 ZINC000587371491 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 ZINC000587371492 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)O2 ZINC000587371566 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1Br)O2 ZINC000587371569 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)O2 ZINC000587371570 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1Br)O2 ZINC000587371572 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)O2 ZINC000587371607 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)O2 ZINC000587371612 II Annotated Reactive CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371839 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371845 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3ccc(Br)cc3c1C(=O)O)O2 ZINC000587372113 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3ccc(Br)cc3c1C(=O)O)O2 ZINC000587372116 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587372125 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587372126 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587372127 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587372128 II Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372444 II Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372451 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(Cc3ccc(Br)cc3)c1C)O2 ZINC000587372734 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(Cc3ccc(Br)cc3)c1C)O2 ZINC000587372743 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(N)=O)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587372749 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(N)=O)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587372750 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372814 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372823 II Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372865 II Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372867 II Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373118 II Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373121 II Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Br)cn1 ZINC000587373274 II Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Br)cn1 ZINC000587373275 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC(C)C)c2ccc(Br)cc21 ZINC000587373335 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC(C)C)c2ccc(Br)cc21 ZINC000587373336 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)O2 ZINC000587373688 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)O2 ZINC000587373691 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)O2 ZINC000587373692 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)O2 ZINC000587373694 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)O2 ZINC000587373715 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)O2 ZINC000587373716 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)O2 ZINC000587373717 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)O2 ZINC000587373720 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)c(NC(=O)C(C)(C)C)c1)O2 ZINC000587373800 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)c(NC(=O)C(C)(C)C)c1)O2 ZINC000587373802 II Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587373844 II Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587373848 II Annotated Anodyne CCOC(=O)c1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587373850 II Annotated Anodyne CCOC(=O)c1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587373853 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])O2 ZINC000587373930 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])O2 ZINC000587373934 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(-c3cccc(Br)c3)c1C)O2 ZINC000587374046 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(-c3cccc(Br)c3)c1C)O2 ZINC000587374050 II Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374503 II Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374510 II Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374512 II Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374514 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cnn(-c3ccccc3)c1C)O2 ZINC000587374775 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cnn(-c3ccccc3)c1C)O2 ZINC000587374776 II Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3s2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587374826 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3s2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587374829 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(c1c[nH]c(C(=O)O)c1)O2 ZINC000587374999 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(c1c[nH]c(C(=O)O)c1)O2 ZINC000587375000 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C\N(C)C)(c1ccccc1Br)O2 ZINC000587375050 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Br)O2 ZINC000587375052 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C/N(C)C)(c1ccccc1Br)O2 ZINC000587375053 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Br)O2 ZINC000587375054 II Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3s2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587375081 II Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3s2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587375082 II Annotated Anodyne Cc1nnc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)s1 ZINC000587375561 II Annotated Anodyne Cc1nnc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)s1 ZINC000587375569 II Annotated Anodyne NC(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587375642 II Annotated Reactive NC(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587375660 II Annotated Reactive NC(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587375662 II Annotated Reactive NC(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587375664 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(Br)c1N)O2 ZINC000587375981 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(Br)c1N)O2 ZINC000587375984 II Annotated Anodyne Nc1nnc(SC[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587376206 II Annotated Anodyne Nc1nnc(SC[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587376209 II Annotated Anodyne Nc1nnc(SC[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587376212 II Annotated Anodyne Nc1nnc(SC[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587376214 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587376246 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587376458 II Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587376461 II Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587376464 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)c(Br)c1)O2 ZINC000587376466 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)c(Br)c1)O2 ZINC000587376470 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-n3cnc(C)c3)cc1)O2 ZINC000587376597 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-n3cnc(C)c3)cc1)O2 ZINC000587376601 II Annotated Reactive CN1CCc2c(sc(N)c2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587376903 II Annotated Anodyne CN1CCc2c(sc(N)c2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587376904 II Annotated Anodyne CN1CCc2c(sc(N)c2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587376905 II Annotated Anodyne CN1CCc2c(sc(N)c2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587376906 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377198 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377200 II Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378633 II Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378634 II Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378674 II Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378924 II Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)=O ZINC000587378977 II Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)=O ZINC000587378978 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Br)c1OCC(=O)O)O2 ZINC000587378991 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Br)c1OCC(=O)O)O2 ZINC000587378992 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCC1(C)COC1)O2 ZINC000587379006 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCC1(C)COC1)O2 ZINC000587379007 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)O2 ZINC000587379136 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)O2 ZINC000587379144 II Annotated Bother CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379458 II Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379463 II Annotated Anodyne O=C(CCl)NC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379658 II Annotated Reactive O=C(CCl)NC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379659 II Annotated Reactive O=C(CCl)NC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379660 II Annotated Reactive O=C(CCl)NC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379661 II Annotated Reactive COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587380350 II Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587380352 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(-c3noc(Cn4ccnc4C)n3)c1)O2 ZINC000587380634 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(-c3noc(Cn4ccnc4C)n3)c1)O2 ZINC000587380639 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380734 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380735 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1CCN(C(=O)C(F)(F)F)CC1)O2 ZINC000587381105 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1CCN(C(=O)C(F)(F)F)CC1)O2 ZINC000587381106 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)O2 ZINC000587381406 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)O2 ZINC000587381407 II Annotated Reactive COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381631 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381632 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(S(C)(=O)=O)c1)(c1cc(F)ccc1F)O2 ZINC000587381843 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(S(C)(=O)=O)c1)(c1cc(F)ccc1F)O2 ZINC000587381846 II Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587382061 II Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587382062 II Annotated Bother CCOC(=O)C[C@]1(c2ccc(Br)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382167 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382168 II Annotated Anodyne CC(=O)N(C1=C(Cl)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O)C1CC1 ZINC000587382275 II Annotated Mild CC(=O)N(C1=C(Cl)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O)C1CC1 ZINC000587382280 II Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2)C1CC1 ZINC000587382401 II Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2)C1CC1 ZINC000587382403 II Annotated Mild CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383139 II Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383143 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]1)O2 ZINC000587383151 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]1)O2 ZINC000587383160 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383189 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383191 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587383319 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587383323 II Annotated Anodyne COc1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383521 II Annotated Reactive COc1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383522 II Annotated Reactive CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383639 II Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383647 II Annotated Mild CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384613 II Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384614 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384692 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384693 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384870 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384871 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncccc1C(=O)O)(c1ccc(F)cc1)O2 ZINC000587384932 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncccc1C(=O)O)(c1ccc(F)cc1)O2 ZINC000587384934 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587384939 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587384941 II Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587384980 II Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587384988 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384994 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384999 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3F)nc1-c1cn(C)nc1C)O2 ZINC000587385327 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3F)nc1-c1cn(C)nc1C)O2 ZINC000587385331 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)c(F)c1)O2 ZINC000587385467 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)c(F)c1)O2 ZINC000587385468 II Annotated Anodyne COc1cccc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(I)=CO2 ZINC000587385513 II Annotated Anodyne COc1cccc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(I)=CO2 ZINC000587385523 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(I)c1O)O2 ZINC000587385718 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(I)c1O)O2 ZINC000587385727 II Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587385861 II Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587385865 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)cc1F)O2 ZINC000587385971 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)cc1F)O2 ZINC000587385972 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(I)cc1)([C@@H]1CCCO1)O2 ZINC000587386096 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(I)cc1)([C@@H]1CCCO1)O2 ZINC000587386101 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(I)cc1)([C@H]1CCCO1)O2 ZINC000587386103 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(I)cc1)([C@H]1CCCO1)O2 ZINC000587386106 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)c(Cl)nc1C)O2 ZINC000587386355 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)c(Cl)nc1C)O2 ZINC000587386372 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(F)cc3)nc1-c1cn(C)nc1C)O2 ZINC000587386470 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1cn(C)nc1C)O2 ZINC000587386472 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(I)=COc2ccc(C)cc21 ZINC000587386879 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(I)=COc2ccc(C)cc21 ZINC000587386880 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(I)cc31)O2 ZINC000587387013 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(I)cc31)O2 ZINC000587387018 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(I)=COc2ccc(F)cc21 ZINC000587387295 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(I)=COc2ccc(F)cc21 ZINC000587387296 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(I)c1O)O2 ZINC000587387446 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(I)c1O)O2 ZINC000587387448 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(I)cc1)O2 ZINC000587387727 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(I)cc1)O2 ZINC000587387728 II Annotated Reactive CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587387739 II Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587387740 II Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388028 II Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388029 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)O2 ZINC000587388279 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)O2 ZINC000587388280 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C(C)C)ccc2Oc2nc(N)c(C(=O)O)cc21 ZINC000587388746 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C(C)C)ccc2Oc2nc(N)c(C(=O)O)cc21 ZINC000587388750 II Annotated Anodyne CNc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587388860 II Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587388864 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)NCc3ccco3)c3ccccc13)O2 ZINC000587389090 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)NCc3ccco3)c3ccccc13)O2 ZINC000587389092 II Annotated Anodyne CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389114 II Annotated Bother CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389118 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccc3c(c1)OCCO3)(c1ccccc1)O2 ZINC000587389126 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccc3c(c1)OCCO3)(c1ccccc1)O2 ZINC000587389129 II Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587389154 II Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587389155 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)([C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587389393 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587389398 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)([C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587389399 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587389401 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)O2 ZINC000587389689 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)O2 ZINC000587389690 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C)N1C(=O)c3ccccc3C1=O)O2 ZINC000587390052 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)N1C(=O)c3ccccc3C1=O)O2 ZINC000587390054 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)N1C(=O)c3ccccc3C1=O)O2 ZINC000587390057 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)N1C(=O)c3ccccc3C1=O)O2 ZINC000587390059 II Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390982 II Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391250 II Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587391288 II Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587391292 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587391753 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587391754 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587391763 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587391764 II Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c1)O2 ZINC000587391971 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c1)O2 ZINC000587391975 II Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)no1 ZINC000587391976 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c1)O2 ZINC000587391978 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c1)O2 ZINC000587391980 II Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)no1 ZINC000587391985 II Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587392207 II Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587392208 II Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587392209 II Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587392210 II Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393450 II Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393451 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=NN(Cc3ccccc3C(=O)O)c3ccccc31)O2 ZINC000587393661 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=NN(Cc3ccccc3C(=O)O)c3ccccc31)O2 ZINC000587393663 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn3c1nc(N1CCCC1)c1ccccc13)O2 ZINC000587394792 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn3c1nc(N1CCCC1)c1ccccc13)O2 ZINC000587394795 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587395183 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587395184 II Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)CC1 ZINC000587396253 II Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)CC1 ZINC000587396254 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)N3CCC(C)CC3)c3ccccc13)O2 ZINC000587396632 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3CCC(C)CC3)c3ccccc13)O2 ZINC000587396634 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)O2 ZINC000587396879 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)O2 ZINC000587396883 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)O2 ZINC000587396886 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)O2 ZINC000587396887 II Annotated Clean CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCCC1 ZINC000587397245 II Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCCC1 ZINC000587397246 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587397397 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587397401 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C)ccc2N=C2N(c3ccccc3)CC[C@]21O ZINC000587398058 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C)ccc2N=C2N(c3ccccc3)CC[C@]21O ZINC000587398062 II Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398673 II Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398678 II Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398695 II Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398697 II Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398713 II Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398715 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)nc1)O2 ZINC000587398822 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)nc1)O2 ZINC000587398823 II Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399545 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(N3CCOCC3)Oc3c1ccc1ccccc31)O2 ZINC000587399633 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(N3CCOCC3)Oc3c1ccc1ccccc31)O2 ZINC000587399634 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1N1CCN(Cc3ccccc3)CC1)O2 ZINC000587399644 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1N1CCN(Cc3ccccc3)CC1)O2 ZINC000587399645 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399865 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399867 II Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400546 II Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400549 II Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587400814 II Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587400815 II Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587400816 II Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587400817 II Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@H](c1cc(C)ccc1C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400990 II Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@H](c1cc(C)ccc1C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401016 II Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401018 II Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401025 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401251 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401252 II Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402255 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3)c3c1OCC(=O)N3)O2 ZINC000587402261 II Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402262 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3)c3c1OCC(=O)N3)O2 ZINC000587402263 II Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)o1 ZINC000587405234 II Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)o1 ZINC000587405237 II Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587405693 II Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587405694 II Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406413 II Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406416 II Annotated Anodyne COc1cc(O)cc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(c1ccc(O)cc1)=CO2 ZINC000587406555 II Annotated Anodyne COc1cc(O)cc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(c1ccc(O)cc1)=CO2 ZINC000587406556 II Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccc(O)cc3O2)cc1O ZINC000587406741 II Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccc(O)cc3O2)cc1O ZINC000587406742 II Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407019 II Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407020 II Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587407560 II Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587407567 II Annotated Reactive Cc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587407644 II Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587407650 II Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587407651 II Annotated Clean Cc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587407652 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)O2 ZINC000587407873 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)O2 ZINC000587407888 II Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1OC2 ZINC000587408296 II Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1OC2 ZINC000587408297 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)O2 ZINC000587408737 II Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)O2 ZINC000587408738 II Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587408755 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3n1S(=O)(=O)c1ccccc1)O2 ZINC000587408766 II Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408809 II Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408812 II Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587409338 II Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587409343 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)O2 ZINC000587409374 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)O2 ZINC000587409534 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)O2 ZINC000587409583 II Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)O2 ZINC000587409584 II Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)O2 ZINC000587409741 II Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)O2 ZINC000587409743 II Annotated Unstable COc1cc(O)cc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccc(O)cc1)O2 ZINC000587409796 II Annotated Anodyne COc1cc(O)cc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccc(O)cc1)O2 ZINC000587409798 II Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409993 II Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410007 II Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410258 II Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410259 II Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)nn1C ZINC000587410409 II Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)nn1C ZINC000587410410 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sccc1NC(=O)c1ccccc1C(=O)O)O2 ZINC000587410451 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sccc1NC(=O)c1ccccc1C(=O)O)O2 ZINC000587410455 II Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587410525 II Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587410527 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NS(=O)(=O)c1cccs1)O2 ZINC000587410656 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NS(=O)(=O)c1cccs1)O2 ZINC000587410657 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)O2 ZINC000587410658 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)O2 ZINC000587410659 II Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)cc1OC(C)=O ZINC000587410952 II Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)cc1OC(C)=O ZINC000587410959 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587410993 II Annotated Reactive COc1cc2c3c(c1)O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587410996 II Annotated Reactive COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587410997 II Annotated Reactive COc1cc2c3c(c1)O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587411000 II Annotated Reactive CCOC(=O)CC[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587411067 II Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587411070 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCS(=O)(=O)c1cc(Cl)ccc1Cl)O2 ZINC000587411197 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCS(=O)(=O)c1cc(Cl)ccc1Cl)O2 ZINC000587411200 II Annotated Anodyne Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587411290 II Annotated Mild COc1ccc(OC)c([S@@](=O)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411296 II Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411297 II Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411298 II Annotated Anodyne COc1ccc(OC)c([S@@](=O)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411300 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)O2 ZINC000587411455 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)O2 ZINC000587411456 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncc(CO)n1C)(c1ccc(Cl)cc1)O2 ZINC000587411457 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncc(CO)n1C)(c1ccc(Cl)cc1)O2 ZINC000587411460 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(Cc4ccccc4)CC3)s1)O2 ZINC000587411683 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(Cc4ccccc4)CC3)s1)O2 ZINC000587411688 II Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411808 II Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411810 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccco1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587411865 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccco1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587411866 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccco1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587411867 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccco1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587411868 II Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)sc(C)c1C ZINC000587412002 II Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)sc(C)c1C ZINC000587412009 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ncc(Cl)cc1Br)[C@@H](C2)C3=O ZINC000587412138 II Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ncc(Cl)cc1Br)[C@@H](C2)C3=O ZINC000587412146 II Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(Br)c(C)nn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412253 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)c(C)nn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412258 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)c(C)nn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412259 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)c(C)nn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412262 II Annotated Anodyne COc1ccc([C@@]2([C@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587412404 II Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587412405 II Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587412406 II Annotated Reactive COc1ccc([C@@]2([C@@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587412407 II Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1Br)[C@@H](C2)C3=O ZINC000587412505 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1Br)[C@@H](C2)C3=O ZINC000587412506 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587412594 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587412597 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587412612 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587412615 II Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4ccnc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587412622 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4ccnc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587412623 II Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587412734 II Annotated Clean CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587412748 II Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587412749 II Annotated Clean CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587412750 II Annotated Clean CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412755 II Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412756 II Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412757 II Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412758 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587412833 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587412834 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O ZINC000587412919 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O ZINC000587412920 II Annotated Reactive CCOC(=O)C[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412962 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412963 II Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412964 II Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412965 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)ccnc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587413022 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)ccnc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587413023 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(O)c(Br)c1)[C@@H](C2)C3=O ZINC000587413032 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(O)c(Br)c1)[C@@H](C2)C3=O ZINC000587413035 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587413105 II Annotated Clean CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587413107 II Annotated Clean CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587413110 II Annotated Clean CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587413112 II Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s1)O2 ZINC000587413135 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s1)O2 ZINC000587413136 II Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(Cc4ccccc4Br)CC1)[C@@H](C2)C3=O ZINC000587413688 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cccn4)c(Br)c1)[C@@H](C2)C3=O ZINC000587413772 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cccn4)c(Br)c1)[C@@H](C2)C3=O ZINC000587413773 II Annotated Anodyne COCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587413806 II Annotated Anodyne COCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587413807 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)c(Cl)c1Br)[C@@H](C2)C3=O ZINC000587414070 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)c(Cl)c1Br)[C@@H](C2)C3=O ZINC000587414077 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Br)cc1C)[C@@H](C2)C3=O ZINC000587414105 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Br)cc1C)[C@@H](C2)C3=O ZINC000587414107 II Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)CC(=O)c4cc(C)cc(N)c4O3)c2C1 ZINC000587414138 II Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)CC(=O)c4cc(C)cc(N)c4O3)c2C1 ZINC000587414141 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414356 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414358 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-n4cnc(C)c4)cc1)[C@@H](C2)C3=O ZINC000587414428 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-n4cnc(C)c4)cc1)[C@@H](C2)C3=O ZINC000587414432 II Annotated Reactive CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414532 II Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414533 II Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c(C#N)c1 ZINC000587414575 II Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c(C#N)c1 ZINC000587414577 II Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(Br)c1N)[C@@H](C2)C3=O ZINC000587414707 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(Br)c1N)[C@@H](C2)C3=O ZINC000587414710 II Annotated Anodyne CCOCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414755 II Annotated Anodyne CCOCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414757 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(Br)c1O)[C@@H](C2)C3=O ZINC000587414894 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(Br)c1O)[C@@H](C2)C3=O ZINC000587414895 II Annotated Anodyne CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414960 II Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414961 II Annotated Reactive CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414962 II Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414963 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587415160 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587415162 II Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)c1 ZINC000587415274 II Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)c1 ZINC000587415275 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)cc(O)n4C)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415337 II Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)cc(O)n4C)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415338 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)cc(O)n4C)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415339 II Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)cc(O)n4C)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415340 II Annotated Reactive CCOC(=O)C1CCN([C@@H](C)[C@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415361 II Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415362 II Annotated Anodyne CCOC(=O)C1CCN([C@@H](C)[C@@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415363 II Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587415364 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC(=O)N4)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415482 II Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC(=O)N4)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415483 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC(=O)N4)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415484 II Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC(=O)N4)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415485 II Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(N)sc3c1CCCC3)(c1c(C)nn(C)c1C)O2 ZINC000587415579 II Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(N)sc3c1CCCC3)(c1c(C)nn(C)c1C)O2 ZINC000587415580 II Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415940 II Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415941 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587416000 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587416001 II Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587416002 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587416003 II Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(Br)nc1Br)[C@@H](C2)C3=O ZINC000587416487 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)nc1Br)[C@@H](C2)C3=O ZINC000587416488 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CC(C)C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416551 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CC(C)C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416552 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)ccnc1Br)[C@@H](C2)C3=O ZINC000587416609 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)ccnc1Br)[C@@H](C2)C3=O ZINC000587416610 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416666 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416668 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587416718 II Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587416719 II Annotated Reactive COc1cc2c3c(c1)O[C@](C[C@@H](C)C(=O)O)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416832 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C)C(=O)O)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416833 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C)C(=O)O)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416834 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C)C(=O)O)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416835 II Annotated Anodyne CCOC(=O)c1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(CC)c1C ZINC000587416926 II Annotated Reactive CCOC(=O)c1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(CC)c1C ZINC000587416927 II Annotated Reactive CCOC(=O)C[C@@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417093 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417094 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4CC14CCOCC4)[C@@H](C2)C3=O ZINC000587417095 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4CC14CCOCC4)[C@@H](C2)C3=O ZINC000587417096 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1cc(Br)ccc1N)[C@@H](C2)C3=O ZINC000587417103 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)(c1cc(Br)ccc1N)[C@@H](C2)C3=O ZINC000587417106 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(Br)cc4)nc1C)[C@@H](C2)C3=O ZINC000587417167 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(Br)cc4)nc1C)[C@@H](C2)C3=O ZINC000587417168 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O ZINC000587417320 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O ZINC000587417323 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cncc1Br)[C@@H](C2)C3=O ZINC000587417409 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cncc1Br)[C@@H](C2)C3=O ZINC000587417411 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCC1(C)COC1)[C@@H](C2)C3=O ZINC000587417453 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCC1(C)COC1)[C@@H](C2)C3=O ZINC000587417455 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587417459 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587417460 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCC(C)(C)O)[C@@H](C2)C3=O ZINC000587417490 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCC(C)(C)O)[C@@H](C2)C3=O ZINC000587417492 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ncc1Br)[C@@H](C2)C3=O ZINC000587417557 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ncc1Br)[C@@H](C2)C3=O ZINC000587417558 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(N)=O)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417664 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(N)=O)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417665 II Annotated Anodyne COC(=O)c1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C(C)C)c1C ZINC000587417772 II Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C(C)C)c1C ZINC000587417773 II Annotated Reactive CCOC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417793 II Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417794 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ccc(Br)cc4c1=N)[C@@H](C2)C3=O ZINC000587417811 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ccc(Br)cc4c1=N)[C@@H](C2)C3=O ZINC000587417812 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418148 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418153 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418155 II Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418157 II Annotated Reactive CCOCCOc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418353 II Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418355 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cn(-c4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O ZINC000587418604 II Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cn(-c4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O ZINC000587418610 II Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(N(C)C)[nH]c4cccc(Br)c14)[C@@H](C2)C3=O ZINC000587418773 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N(C)C)[nH]c4cccc(Br)c14)[C@@H](C2)C3=O ZINC000587418777 II Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418877 II Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418878 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587418983 II Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587418984 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587418985 II Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587418986 II Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(N(C)C)[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O ZINC000587419043 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N(C)C)[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O ZINC000587419044 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Br)c(NC(=O)C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587419047 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Br)c(NC(=O)C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587419051 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nnn(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O ZINC000587419130 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nnn(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O ZINC000587419134 II Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419263 II Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419267 II Annotated Anodyne COC(=O)c1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C2CC2)c1C ZINC000587419270 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O ZINC000587419272 II Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C2CC2)c1C ZINC000587419277 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O ZINC000587419291 II Annotated Reactive CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419369 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419376 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccc(C(F)(F)F)cn4)c1C)[C@@H](C2)C3=O ZINC000587419532 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccc(C(F)(F)F)cn4)c1C)[C@@H](C2)C3=O ZINC000587419537 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587419587 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587419589 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(C1CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587419602 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587419619 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(OC)c(OC)c(OC)cc4nc1Cl)[C@@H](C2)C3=O ZINC000587419620 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(OC)c(OC)c(OC)cc4nc1Cl)[C@@H](C2)C3=O ZINC000587419625 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C(=O)Cl)ccc41)[C@@H](C2)C3=O ZINC000587419802 II Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C(=O)Cl)ccc41)[C@@H](C2)C3=O ZINC000587419804 II Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419938 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419939 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587419960 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587419983 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587419984 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587419985 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(CN=O)=COc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587420036 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(CN=O)=COc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587420045 II Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 ZINC000587420264 II Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 ZINC000587420266 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cncc(Br)c1C)[C@@H](C2)C3=O ZINC000587420627 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cncc(Br)c1C)[C@@H](C2)C3=O ZINC000587420629 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587420631 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587420643 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O ZINC000587420842 II Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O ZINC000587420845 II Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O ZINC000587420850 II Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O ZINC000587420854 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cnc(C)n1-c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587421048 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C)n1-c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587421049 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O ZINC000587421119 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O ZINC000587421121 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cn(Cc4ccc(Cl)cc4Cl)nn1)[C@@H](C2)C3=O ZINC000587421202 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cn(Cc4ccc(Cl)cc4Cl)nn1)[C@@H](C2)C3=O ZINC000587421205 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587421281 II Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587421297 II Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4nccc(C(F)(F)F)n4)c1C)[C@@H](C2)C3=O ZINC000587421471 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4nccc(C(F)(F)F)n4)c1C)[C@@H](C2)C3=O ZINC000587421473 II Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421832 II Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421834 II Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421835 II Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421838 II Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421915 II Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421927 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421986 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421987 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(=O)n(Cc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587421996 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(=O)n(Cc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587421998 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cn(Cc4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O ZINC000587422067 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cn(Cc4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O ZINC000587422073 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422384 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422396 II Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587422510 II Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587422518 II Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587422521 II Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587422523 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(CCC(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422637 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(CCC(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422642 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422658 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422659 II Annotated Anodyne COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 ZINC000587422694 II Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 ZINC000587422698 II Annotated Reactive COc1cc2c3c(c1)OC1(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587422920 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(N)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587423223 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(N)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587423226 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCCO4)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587423363 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCCO4)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587423364 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C1CCN(C(C)=O)CC1)[C@@H](C2)C3=O ZINC000587423486 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C1CCN(C(C)=O)CC1)[C@@H](C2)C3=O ZINC000587423491 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423881 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423883 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1cnccn1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424089 II Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1cnccn1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424102 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)CCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424456 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)CCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424461 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424633 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424634 II Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587424939 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587424940 II Annotated Reactive COC(=O)c1ccc(F)c(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2O)c1 ZINC000587424957 II Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2O)c1 ZINC000587424958 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425397 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425400 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4F)nc1-c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587425734 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4F)nc1-c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587425736 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(N(C)C)n(-c4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O ZINC000587426222 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(N(C)C)n(-c4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O ZINC000587426223 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(I)cc1Cl)[C@@H](C2)C3=O ZINC000587426330 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)cc1Cl)[C@@H](C2)C3=O ZINC000587426331 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4ccccc4c1I)[C@@H](C2)C3=O ZINC000587426380 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccccc4c1I)[C@@H](C2)C3=O ZINC000587426381 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426533 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426534 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(F)cc4)nc1-c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587426562 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(F)cc4)nc1-c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587426564 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cc(I)cc1F)[C@@H](C2)C3=O ZINC000587426644 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(I)cc1F)[C@@H](C2)C3=O ZINC000587426646 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(I)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587426722 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(I)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587426723 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1ccc(Oc4ncccn4)cc1)[C@@H](C2)C3=O ZINC000587426728 II Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1ccc(Oc4ncccn4)cc1)[C@@H](C2)C3=O ZINC000587426733 II Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587426806 II Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587426807 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426853 II Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426854 II Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426984 II Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426985 II Annotated Clean COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cccc(I)c14)[C@@H](C2)C3=O ZINC000587427022 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cccc(I)c14)[C@@H](C2)C3=O ZINC000587427025 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCC1OCCO1)(Cc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427165 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCCC1OCCO1)(Cc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427169 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(F)cc(I)cc14)[C@@H](C2)C3=O ZINC000587427611 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(F)cc(I)cc14)[C@@H](C2)C3=O ZINC000587427612 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(I)c1)[C@@H](C2)C3=O ZINC000587427665 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(I)c1)[C@@H](C2)C3=O ZINC000587427666 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c(F)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587427752 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(F)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587427753 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(I)c1O)[C@@H](C2)C3=O ZINC000587427918 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(I)c1O)[C@@H](C2)C3=O ZINC000587427922 II Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428167 II Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428168 II Annotated Bother COc1cc2c3c(c1)O[C@](CCl)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428385 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428386 II Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Br)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428416 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428418 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Oc4ccccc4F)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587428473 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccccc4F)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587428476 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(I)=COc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587428753 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(I)=COc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587428756 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587428958 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587428959 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429068 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429069 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnn(-c4ccccc4)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587429119 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnn(-c4ccccc4)c1)(c1cc(F)ccc1O)[C@@H](C2)C3=O ZINC000587429120 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(I)c1F)[C@@H](C2)C3=O ZINC000587429315 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)ccc(I)c1F)[C@@H](C2)C3=O ZINC000587429316 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(I)c1O)[C@@H](C2)C3=O ZINC000587429349 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(I)c1O)[C@@H](C2)C3=O ZINC000587429350 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587429449 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587429461 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(I)cccc14)[C@@H](C2)C3=O ZINC000587429630 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(I)cccc14)[C@@H](C2)C3=O ZINC000587429631 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(=O)n(Cc4ccc(F)cc4)c1)[C@@H](C2)C3=O ZINC000587430052 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(=O)n(Cc4ccc(F)cc4)c1)[C@@H](C2)C3=O ZINC000587430053 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4cc(F)ccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O ZINC000587430058 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cc(F)ccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O ZINC000587430059 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(I)c(F)c1F)[C@@H](C2)C3=O ZINC000587430125 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)c(F)c1F)[C@@H](C2)C3=O ZINC000587430126 II Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587430393 II Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587430401 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nn(-c5ccccc5)cc4C=O)o1)[C@@H](C2)C3=O ZINC000587430433 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4nn(-c5ccccc5)cc4C=O)o1)[C@@H](C2)C3=O ZINC000587430434 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(O[C@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O ZINC000587430924 II Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(O[C@@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O ZINC000587430926 II Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(O[C@@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O ZINC000587430927 II Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(O[C@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O ZINC000587430929 II Annotated Clean CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430938 II Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430940 II Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)no1 ZINC000587430951 II Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)no1 ZINC000587430953 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(OCC(=O)O)cc4)c1C)[C@@H](C2)C3=O ZINC000587431040 II Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(OCC(=O)O)cc4)c1C)[C@@H](C2)C3=O ZINC000587431043 II Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)NCc4ccco4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431367 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)NCc4ccco4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431372 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(C=O)o1)[C@@H](C2)C3=O ZINC000587431385 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(C=O)o1)[C@@H](C2)C3=O ZINC000587431389 II Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587431712 II Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587431717 II Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587431719 II Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587431720 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cnn(C)c1C)[C@@H](C2)C3=O ZINC000587431731 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cnn(C)c1C)[C@@H](C2)C3=O ZINC000587431732 II Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431763 II Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431765 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431817 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431818 II Annotated Bother COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431905 II Annotated Bother COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431915 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)NC4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431934 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)NC4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431935 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587432500 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587432503 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C[C@@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587432611 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C[C@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587432612 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(C[C@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587432613 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(C[C@@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587432614 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cc(/C=C/C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432629 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cc(/C=C/C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432630 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cc(/C=C\C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432631 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cc(/C=C\C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432632 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O ZINC000587432817 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)c([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O ZINC000587432820 II Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)(c1oc4ccccc4c1N)[C@@H](C2)C3=O ZINC000587432886 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)(c1oc4ccccc4c1N)[C@@H](C2)C3=O ZINC000587432891 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4cccc(OC)c4N)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587433027 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4cccc(OC)c4N)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587433028 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587433124 II Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587433125 II Annotated Bother COc1cccc(NC(=O)C[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587433493 II Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587433494 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CNC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587433639 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](CNC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587433640 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)O)c1)[C@@H](C2)C3=O ZINC000587433786 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)O)c1)[C@@H](C2)C3=O ZINC000587433787 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O)c1)[C@@H](C2)C3=O ZINC000587433788 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)O)c1)[C@@H](C2)C3=O ZINC000587433789 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(C)cc4Oc4cccc(NCCN)c41)[C@@H](C2)C3=O ZINC000587433834 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(C)cc4Oc4cccc(NCCN)c41)[C@@H](C2)C3=O ZINC000587433835 II Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587434086 II Annotated Bother COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587434087 II Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)cc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434090 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)cc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434091 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(-c4cccc([N+](=O)[O-])c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587434161 II Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(-c4cccc([N+](=O)[O-])c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587434162 II Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)c4oc(N)nc4c1)[C@@H](C2)C3=O ZINC000587434228 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)c4oc(N)nc4c1)[C@@H](C2)C3=O ZINC000587434236 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434374 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434377 II Annotated Bother COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434460 II Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434461 II Annotated Bother COc1cc2c3c(c1)O[C@@H]([C@H]1COC4(CCCCC4)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434734 II Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1COC4(CCCCC4)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434735 II Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1COC4(CCCCC4)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434736 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1COC4(CCCCC4)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434737 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434804 II Annotated Clean COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434805 II Annotated Clean COc1cc2c3c(c1)OC1(c4cc([N+](=O)[O-])ccc4-c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587434811 II Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c1)[C@@H](C2)C3=O ZINC000587435058 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c1)[C@@H](C2)C3=O ZINC000587435060 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c1)[C@@H](C2)C3=O ZINC000587435062 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c1)[C@@H](C2)C3=O ZINC000587435065 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn4c1nc(N1CCCC1)c1ccccc14)[C@@H](C2)C3=O ZINC000587435649 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn4c1nc(N1CCCC1)c1ccccc14)[C@@H](C2)C3=O ZINC000587435650 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1c(-c4ccccc4)cc4ccccn14)[C@@H](C2)C3=O ZINC000587436508 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c(-c4ccccc4)cc4ccccn14)[C@@H](C2)C3=O ZINC000587436509 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=NN(Cc4ccccc4C(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587437230 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=NN(Cc4ccccc4C(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587437231 II Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587437796 II Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587437801 II Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587437804 II Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587437807 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437898 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437900 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437904 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437907 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)N4CCC(C)CC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587437908 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4CCC(C)CC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587437909 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)N(C)c1ccccc1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438398 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)N(C)c1ccccc1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438402 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439591 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439595 II Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587439975 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(O[C@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587439977 II Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587439978 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(O[C@@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587439989 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(O[C@@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587439991 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(O[C@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587439993 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1ccccc1)[C@@H](C2)C3=O ZINC000587440113 II Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1ccccc1)[C@@H](C2)C3=O ZINC000587440114 II Annotated Anodyne COc1ccc([C@@H](O)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440879 II Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440882 II Annotated Anodyne COc1ccc([C@@H](O)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440884 II Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440886 II Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440945 II Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440948 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(N4CCOCC4)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587441127 II Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(N4CCOCC4)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587441131 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441455 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441456 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN1CCOCC1)(c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587441471 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN1CCOCC1)(c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587441472 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441551 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441553 II Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587441577 II Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587441581 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(C(=O)O)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441759 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(C(=O)O)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441762 II Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442160 II Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442162 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(N4CCOCC4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442220 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(N4CCOCC4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442228 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442319 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442323 II Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442543 II Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442546 II Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442627 II Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442628 II Annotated Anodyne CCC[C@@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443434 II Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443440 II Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443442 II Annotated Anodyne CCC[C@@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443445 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1C[C@@H]4CC[C@H](C1)N4C(=O)OCc1ccccc1)[C@@H](C2)C3=O ZINC000587443806 II Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1C[C@@H]4CC[C@H](C1)N4C(=O)OCc1ccccc1)[C@@H](C2)C3=O ZINC000587443813 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587443936 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587443937 II Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444281 II Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444297 II Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444301 II Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444306 II Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444758 II Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444759 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)O)cc1)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587444811 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587444820 II Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587444946 II Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587444947 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)N4CCC(OC)CC4)c1)[C@@H](C2)C3=O ZINC000587445721 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)N4CCC(OC)CC4)c1)[C@@H](C2)C3=O ZINC000587445725 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1=C(N4CCOCC4)/C(=C\c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587445890 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1=C(N4CCOCC4)/C(=C/c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587445891 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1=C(N4CCOCC4)/C(=C\c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587445892 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1=C(N4CCOCC4)/C(=C/c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587445893 II Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447554 II Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447555 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587448065 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587448075 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(S(C)(=O)=O)c1)(c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587448118 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(S(C)(=O)=O)c1)(c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587448122 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O ZINC000587448318 II Annotated Unstable COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O ZINC000587448319 II Annotated Unstable COc1cc2c3c(c1)O[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587448332 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587448334 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587448341 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4n1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587448342 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448466 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1NS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448467 II Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448468 II Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448469 II Annotated Unstable COc1cc2c3c(c1)O[C@]1(C[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC[C@H]1C)[C@@H](C2)C3=O ZINC000587448541 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC[C@H]1C)[C@@H](C2)C3=O ZINC000587448542 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448652 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448660 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccc(O)cc4)Oc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587448699 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccc(O)cc4)Oc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587448700 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587448775 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587448784 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)[C@@H](C2)C3=O ZINC000587448895 II Annotated Unstable COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)[C@@H](C2)C3=O ZINC000587448896 II Annotated Unstable COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CSc4ncccn4)c1)[C@@H](C2)C3=O ZINC000587449088 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CSc4ncccn4)c1)[C@@H](C2)C3=O ZINC000587449089 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587449219 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587449222 II Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449315 II Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449320 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccc(OC)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587449338 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NS(=O)(=O)c1cccs1)[C@@H](C2)C3=O ZINC000587449344 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccc(OC)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587449349 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1NS(=O)(=O)c1cccs1)[C@@H](C2)C3=O ZINC000587449361 II Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587449547 II Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587449551 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)[C@@H](C2)C3=O ZINC000587449698 II Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)[C@@H](C2)C3=O ZINC000587449700 II Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCC5)[C@@H](C2)C3=O ZINC000587450026 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCC5)[C@@H](C2)C3=O ZINC000587450036 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCC5)[C@@H](C2)C3=O ZINC000587450037 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCC5)[C@@H](C2)C3=O ZINC000587450038 II Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587450155 II Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587450156 II Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)cc1 ZINC000587450238 II Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)cc1 ZINC000587450239 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Br)nc1Br)[C@@H](C2)C3=O ZINC000587450264 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(Br)nc1Br)[C@@H](C2)C3=O ZINC000587450271 II Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(COS(=O)(=O)c4ccc(C)cc4)CC1)[C@@H](C2)C3=O ZINC000587450328 II Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587450694 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587450697 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587450698 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587450701 II Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1Cl ZINC000587450794 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1Cl ZINC000587450795 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N4CCOCC4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587450903 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N4CCOCC4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587450904 II Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450998 II Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450999 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCOC4)[C@@H](C2)C3=O ZINC000587451241 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCOC4)[C@@H](C2)C3=O ZINC000587451244 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NS(=O)(=O)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587451371 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NS(=O)(=O)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587451372 II Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1)C1CC1 ZINC000587451377 II Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1)C1CC1 ZINC000587451378 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1ccc4c5c(c(=O)oc4c1C)CCC5)[C@@H](C2)C3=O ZINC000587451432 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c5c(c(=O)oc4c1C)CCC5)[C@@H](C2)C3=O ZINC000587451433 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4cc(O)c(OC)cc41)[C@@H](C2)C3=O ZINC000587451434 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4cc(O)c(OC)cc41)[C@@H](C2)C3=O ZINC000587451436 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(=O)(=O)c1ccc(Cl)cc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587451519 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(=O)(=O)c1ccc(Cl)cc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587451522 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1)[C@@H](C2)C3=O ZINC000587451740 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C)C)([C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1)[C@@H](C2)C3=O ZINC000587451742 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587451789 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587451791 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4sccn14)[C@@H](C2)C3=O ZINC000587451883 II Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4sccn14)[C@@H](C2)C3=O ZINC000587451888 II Annotated Bother COc1cc2c3c(c1)O[C@](C)(COc1cc(C)cc4oc(=O)c5c(c14)CCC5)[C@@H](C2)C3=O ZINC000587452198 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1cc(C)cc4oc(=O)c5c(c14)CCC5)[C@@H](C2)C3=O ZINC000587452202 II Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1c(=O)sc4ccccc41)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452412 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1c(=O)sc4ccccc41)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452414 II Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587452603 II Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587452611 II Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587452614 II Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587452617 II Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)c1 ZINC000587452748 II Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)c1 ZINC000587452751 II Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587452840 II Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587452843 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sccc1NC(=O)c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587452929 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sccc1NC(=O)c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587452934 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587452955 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587452959 II Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(Cc4cc(Br)cs4)CC1)[C@@H](C2)C3=O ZINC000587452993 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(Nc4ccccc4OC)nc1Cl)[C@@H](C2)C3=O ZINC000587453215 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Nc4ccccc4OC)nc1Cl)[C@@H](C2)C3=O ZINC000587453216 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ncccc1C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587453270 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ncccc1C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587453273 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(SC)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O ZINC000587453877 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(SC)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O ZINC000587453883 II Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nnc(S)s1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454069 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1nnc(S)s1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454071 II Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)sc(C)c1C ZINC000587454154 II Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)sc(C)c1C ZINC000587454155 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587454282 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587454284 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCN(C)C4)[C@@H](C2)C3=O ZINC000587454336 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCN(C)C4)[C@@H](C2)C3=O ZINC000587454338 II Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5c(c4)OCO5)nc4sccn14)[C@@H](C2)C3=O ZINC000587454354 II Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5c(c4)OCO5)nc4sccn14)[C@@H](C2)C3=O ZINC000587454357 II Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(N)sc4c1CCCC4)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587454359 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c(N)sc4c1CCCC4)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587454361 II Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C#N)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454543 II Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(C#N)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454546 II Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CSC4=NCCS4)c1)[C@@H](C2)C3=O ZINC000587454590 II Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CSC4=NCCS4)c1)[C@@H](C2)C3=O ZINC000587454593 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(OC)ccc4O[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587454993 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(OC)ccc4O[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587454995 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(OC)ccc4O[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587454999 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(OC)ccc4O[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587455003 II Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455099 II Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455100 II Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455301 II Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455302 II Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455303 II Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455304 II Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 ZINC000587455305 II Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 ZINC000587455306 II Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455654 II Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455655 II Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455656 II Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455657 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)cc(Br)c1O)CC2=O ZINC000587455674 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587455675 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)cc(Br)c1O)CC2=O ZINC000587455676 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587455678 II Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587455681 II Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587455684 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587455856 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587455857 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(C(=O)OC)c1)CC2=O ZINC000587455965 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(C(=O)OC)c1)CC2=O ZINC000587455967 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587456350 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587456351 II Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)c1 ZINC000587456397 II Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)c1 ZINC000587456400 II Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456450 II Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456452 II Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456453 II Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456454 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C(CC)(CC)C(=O)OC)CC2=O ZINC000587456473 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(CC)(CC)C(=O)OC)CC2=O ZINC000587456476 II Annotated Reactive COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587456480 II Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587456483 II Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587456486 II Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587456489 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587456580 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587456581 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)O)c(Br)c1)CC2=O ZINC000587456625 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)O)c(Br)c1)CC2=O ZINC000587456626 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2c(C)cc(Br)cc21 ZINC000587456984 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2c(C)cc(Br)cc21 ZINC000587456988 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1COc3ccccc3O1)CC2=O ZINC000587457324 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1COc3ccccc3O1)CC2=O ZINC000587457330 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1COc3ccccc3O1)CC2=O ZINC000587457332 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1COc3ccccc3O1)CC2=O ZINC000587457335 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1Br)NC(=O)CO3)CC2=O ZINC000587457358 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1Br)NC(=O)CO3)CC2=O ZINC000587457359 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(O)c(C(=O)OC)c1)CC2=O ZINC000587457398 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(O)c(C(=O)OC)c1)CC2=O ZINC000587457399 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCC(=O)O)CC2=O ZINC000587457593 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCC(=O)O)CC2=O ZINC000587457594 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)O)Oc2ccc(Br)cc21 ZINC000587457709 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)O)Oc2ccc(Br)cc21 ZINC000587457710 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)O)Oc2ccc(Br)cc21 ZINC000587457711 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)O)Oc2ccc(Br)cc21 ZINC000587457712 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587457869 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587457871 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587457874 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587457876 II Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCC(=O)OC)CC2=O ZINC000587457976 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCC(=O)OC)CC2=O ZINC000587457978 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1OCC(=O)O)CC2=O ZINC000587457980 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1OCC(=O)O)CC2=O ZINC000587457983 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(o1)C(=O)C(Br)=CC3=O)CC2=O ZINC000587458045 II Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(o1)C(=O)C(Br)=CC3=O)CC2=O ZINC000587458046 II Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)cnc1Br)CC2=O ZINC000587458094 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Br)cnc1Br)CC2=O ZINC000587458098 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1Br ZINC000587458181 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1Br ZINC000587458182 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@H]1Br ZINC000587458183 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@H]1Br ZINC000587458184 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)c(Br)n1C)CC2=O ZINC000587458255 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Br)c(Br)n1C)CC2=O ZINC000587458256 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(Br)ccc1OC)CC2=O ZINC000587458283 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(Br)ccc1OC)CC2=O ZINC000587458284 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3cc(Br)ccc31)CC2=O ZINC000587458758 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3cc(Br)ccc31)CC2=O ZINC000587458766 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3ccc(Br)cc31)CC2=O ZINC000587458905 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3ccc(Br)cc31)CC2=O ZINC000587458910 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCC(=O)OC)c1C)CC2=O ZINC000587458961 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCC(=O)OC)c1C)CC2=O ZINC000587458963 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=COc2ccc(Br)cc21 ZINC000587459240 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=COc2ccc(Br)cc21 ZINC000587459242 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](NC(=O)C(F)(F)F)c2ccsc21 ZINC000587459454 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(CC)cc(Br)cc21 ZINC000587459455 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(CC)cc(Br)cc21 ZINC000587459457 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](NC(=O)C(F)(F)F)c2ccsc21 ZINC000587459464 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](NC(=O)C(F)(F)F)c2ccsc21 ZINC000587459466 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](NC(=O)C(F)(F)F)c2ccsc21 ZINC000587459471 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)c2ccc(Br)cc21 ZINC000587459514 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)c2ccc(Br)cc21 ZINC000587459517 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc(C(=O)OC)n3C)nc1Cl)CC2=O ZINC000587459595 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc(C(=O)OC)n3C)nc1Cl)CC2=O ZINC000587459601 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)c2cc(Br)ccc21 ZINC000587459948 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)c2cc(Br)ccc21 ZINC000587459954 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)CCC[C@@H]1C(=O)OCC ZINC000587460090 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](Br)CCC[C@H]1C(=O)OCC ZINC000587460095 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)CCC[C@H]1C(=O)OCC ZINC000587460097 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OCC)CCC[C@H]1Br ZINC000587460099 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1nn(CC)cc1Br)CC2=O ZINC000587460315 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1nn(CC)cc1Br)CC2=O ZINC000587460318 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1nn(CC)cc1Br)CC2=O ZINC000587460321 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1nn(CC)cc1Br)CC2=O ZINC000587460324 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)CC2=O ZINC000587460715 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)CC2=O ZINC000587460718 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2c(Br)cc(C)cc21 ZINC000587461010 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2c(Br)cc(C)cc21 ZINC000587461012 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccc(Br)n1)CC2=O ZINC000587461111 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccc(Br)n1)CC2=O ZINC000587461112 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(Br)n1)CC2=O ZINC000587461113 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(Br)n1)CC2=O ZINC000587461114 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)CC2=O ZINC000587461872 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)CC2=O ZINC000587461874 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)CC2=O ZINC000587461937 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)CC2=O ZINC000587461943 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(Cl)cc1)CC2=O ZINC000587462091 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(Cl)cc1)CC2=O ZINC000587462114 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1C(F)(F)F)CC2=O ZINC000587462756 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1C(F)(F)F)CC2=O ZINC000587462757 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1C(=O)CCC1=O)(c1ccccc1Cl)CC2=O ZINC000587462847 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1C(=O)CCC1=O)(c1ccccc1Cl)CC2=O ZINC000587462848 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccc1Cl)CC2=O ZINC000587462871 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccc1Cl)CC2=O ZINC000587462872 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cccc(Cl)c1)CC2=O ZINC000587462966 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1cccc(Cl)c1)CC2=O ZINC000587462967 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)NC1CC1)(c1ccc(Cl)cc1)CC2=O ZINC000587462984 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)NC1CC1)(c1ccc(Cl)cc1)CC2=O ZINC000587462985 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)CC2=O ZINC000587463883 II Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)CC2=O ZINC000587463888 II Annotated Bother CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463890 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463891 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)CC2=O ZINC000587463935 II Annotated Unstable CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)CC2=O ZINC000587463941 II Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)c2cc(C(F)(F)F)ccc21 ZINC000587463989 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)c2cc(C(F)(F)F)ccc21 ZINC000587463990 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464537 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464538 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)c(O)cc1F)CC2=O ZINC000587465058 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)c(O)cc1F)CC2=O ZINC000587465059 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1N1CCN(C(C)=O)CC1)CC2=O ZINC000587465220 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1N1CCN(C(C)=O)CC1)CC2=O ZINC000587465221 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(NS(=O)(=O)CCC)c1F)CC2=O ZINC000587465439 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(NS(=O)(=O)CCC)c1F)CC2=O ZINC000587465443 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)C(F)F)c(OC)c1)CC2=O ZINC000587465676 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)C(F)F)c(OC)c1)CC2=O ZINC000587465685 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCNC(C)=O)c(F)c1)CC2=O ZINC000587465811 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCNC(C)=O)c(F)c1)CC2=O ZINC000587465818 II Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc(F)c3)nn3cc[nH]c(=O)c13)CC2=O ZINC000587466364 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc(F)c3)nn3cc[nH]c(=O)c13)CC2=O ZINC000587466366 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587466781 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587466783 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587466785 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587466786 II Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC1)CC2=O ZINC000587466881 II Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC1)CC2=O ZINC000587466883 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)N(CC)CC)cc1)CC2=O ZINC000587467538 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)N(CC)CC)cc1)CC2=O ZINC000587467539 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587467564 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587467577 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587467580 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587467582 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(F)c(CCNC(C)=O)c1)CC2=O ZINC000587467941 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)c(CCNC(C)=O)c1)CC2=O ZINC000587467942 II Annotated Reactive CCCc1c(O)ccc2c1OC1(CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)CC2=O ZINC000587468090 II Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)CC2=O ZINC000587468790 II Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)CC2=O ZINC000587468794 II Annotated Bother CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1CCOC1)CC2=O ZINC000587469045 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@@H]1CCOC1)CC2=O ZINC000587469046 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@H]1CCOC1)CC2=O ZINC000587469047 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@H]1CCOC1)CC2=O ZINC000587469048 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nn(CC)cc1I)CC2=O ZINC000587469220 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nn(CC)cc1I)CC2=O ZINC000587469223 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)ccc1N)CC2=O ZINC000587469576 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)ccc1N)CC2=O ZINC000587469577 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(I)cnn1CC)CC2=O ZINC000587469601 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(I)cnn1CC)CC2=O ZINC000587469604 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)CC2=O ZINC000587469623 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)CC2=O ZINC000587469632 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)CC2=O ZINC000587469637 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)CC2=O ZINC000587469641 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccc([N+](=O)[O-])n3)c1)CC2=O ZINC000587469863 II Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccc([N+](=O)[O-])n3)c1)CC2=O ZINC000587469864 II Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NCc3ccco3)cc1)CC2=O ZINC000587470003 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NCc3ccco3)cc1)CC2=O ZINC000587470004 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)CC2=O ZINC000587470012 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)CC2=O ZINC000587470014 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)CC2=O ZINC000587470015 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)CC2=O ZINC000587470016 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)CC2=O ZINC000587470022 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)CC2=O ZINC000587470023 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)CC2=O ZINC000587470024 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)CC2=O ZINC000587470025 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccccn3)cc1)CC2=O ZINC000587470047 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccccn3)cc1)CC2=O ZINC000587470048 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(=NOCc1ccccc1)C(=O)OCC)CC2=O ZINC000587470343 II Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(C(=NOCc1ccccc1)C(=O)OCC)CC2=O ZINC000587470344 II Annotated Mild CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(Cc1ccncc1)CC2=O ZINC000587470977 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(Cc1ccncc1)CC2=O ZINC000587470990 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC2=O ZINC000587471221 II Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC2=O ZINC000587471223 II Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587471254 II Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587471256 II Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(NC(=O)C3CC3)cc1)CC2=O ZINC000587471351 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(NC(=O)C3CC3)cc1)CC2=O ZINC000587471356 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(C(=O)OCC)cc1)CC2=O ZINC000587471407 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(C(=O)OCC)cc1)CC2=O ZINC000587471408 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(N)c(C#N)cn1-c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587471509 II Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)c(C#N)cn1-c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587471510 II Annotated Mild CCCc1c(O)ccc2c1O[C@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)CC2=O ZINC000587471517 II Annotated Bother CCCc1c(O)ccc2c1O[C@@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)CC2=O ZINC000587471518 II Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587471523 II Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587471524 II Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)CC2=O ZINC000587471531 II Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)CC2=O ZINC000587471532 II Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1F)CC2=O ZINC000587471703 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1F)CC2=O ZINC000587471704 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1F)CC2=O ZINC000587471705 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1F)CC2=O ZINC000587471706 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)c(N)c21 ZINC000587472316 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)c(N)c21 ZINC000587472317 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2N ZINC000587472346 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2N ZINC000587472347 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnc(N)c(C(=O)OC)c3)cc1)CC2=O ZINC000587472497 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnc(N)c(C(=O)OC)c3)cc1)CC2=O ZINC000587472498 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)cc1I)CC2=O ZINC000587472671 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)cc1I)CC2=O ZINC000587472672 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)CC2=O ZINC000587472694 II Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)CC2=O ZINC000587472695 II Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(I)ccnc1OC)CC2=O ZINC000587472805 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)ccnc1OC)CC2=O ZINC000587472806 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])CC2=O ZINC000587472878 II Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])CC2=O ZINC000587472880 II Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(I)ccnc1F)CC2=O ZINC000587473289 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)ccnc1F)CC2=O ZINC000587473290 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1ccccc1[N+](=O)[O-])CC2=O ZINC000587473712 II Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1ccccc1[N+](=O)[O-])CC2=O ZINC000587473717 II Annotated Bother C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587474168 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587474170 II Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587474171 II Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587474172 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(C(=O)OCC)CC1)CC2=O ZINC000587474220 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(C(=O)OCC)CC1)CC2=O ZINC000587474223 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC)CC2=O ZINC000587474229 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC)CC2=O ZINC000587474231 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC)CC2=O ZINC000587474234 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC)CC2=O ZINC000587474236 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1CCN(CC(=O)OCc3ccccc3)CC1)CC2=O ZINC000587474621 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1CCN(CC(=O)OCc3ccccc3)CC1)CC2=O ZINC000587474623 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCCC3)c(OC)c1)CC2=O ZINC000587474813 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCCC3)c(OC)c1)CC2=O ZINC000587474817 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(CN3CCOCC3)c1)CC2=O ZINC000587474852 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(CN3CCOCC3)c1)CC2=O ZINC000587474857 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O ZINC000587474872 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O ZINC000587474875 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O ZINC000587474877 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O ZINC000587474878 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587475150 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587475151 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(C)CC3)n(C)c3ccccc13)CC2=O ZINC000587475241 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(C)CC3)n(C)c3ccccc13)CC2=O ZINC000587475244 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)OCC)CC2=O ZINC000587475471 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)OCC)CC2=O ZINC000587475472 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)OCC)CC2=O ZINC000587475474 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)OCC)CC2=O ZINC000587475475 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCn1ccc(C(=O)OC)n1)CC2=O ZINC000587475750 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCn1ccc(C(=O)OC)n1)CC2=O ZINC000587475751 II Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(Cc3c(OC)cccc3OC)CC1)CC2=O ZINC000587475946 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1CCCC(=O)O)CC2=O ZINC000587476160 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1CCCC(=O)O)CC2=O ZINC000587476161 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(C(=O)O)cn3)c1)CC2=O ZINC000587476222 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(C(=O)O)cn3)c1)CC2=O ZINC000587476223 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587477242 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587477245 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587477247 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587477249 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN3CCOCC3)c1)CC2=O ZINC000587477283 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CN3CCOCC3)c1)CC2=O ZINC000587477284 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)CC2=O ZINC000587477314 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)CC2=O ZINC000587477318 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)CC2=O ZINC000587477320 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)CC2=O ZINC000587477322 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)CC[C@H]1C(=O)OCC ZINC000587477374 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)CC[C@H]1C(=O)OCC ZINC000587477376 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)CC[C@@H]1C(=O)OCC ZINC000587477380 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)CC[C@@H]1C(=O)OCC ZINC000587477385 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCNCC2)Oc2cn(C(C)(C)C)nc21 ZINC000587477442 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCNCC2)Oc2cn(C(C)(C)C)nc21 ZINC000587477443 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(OC)cc(OC)c1)CC2=O ZINC000587477668 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(OC)cc(OC)c1)CC2=O ZINC000587477670 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)CCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587477859 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)CCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587477870 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CC2=O ZINC000587477961 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CC2=O ZINC000587477962 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC/C1=C\N(C)C ZINC000587477963 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC/C1=C/N(C)C ZINC000587477964 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC/C1=C\N(C)C ZINC000587477965 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC/C1=C/N(C)C ZINC000587477966 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)OCC)CC3)nc1)CC2=O ZINC000587477999 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)OCC)CC3)nc1)CC2=O ZINC000587478000 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1)CC2=O ZINC000587478231 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)CC2=O ZINC000587478243 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1)CC2=O ZINC000587478247 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)CC2=O ZINC000587478252 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)CC2=O ZINC000587478835 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)CC2=O ZINC000587478838 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)CC2=O ZINC000587478845 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)CC2=O ZINC000587478850 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)O)nc1-c1ccc(OC)cc1)CC2=O ZINC000587479394 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)O)nc1-c1ccc(OC)cc1)CC2=O ZINC000587479397 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1c[nH]c3ccccc13)CC2=O ZINC000587479909 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1c[nH]c3ccccc13)CC2=O ZINC000587479913 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(C(=O)O)c21 ZINC000587479921 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(C(=O)O)c21 ZINC000587479927 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587480004 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587480018 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nn3ccnc(O)c13)CC2=O ZINC000587480167 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nn3ccnc(O)c13)CC2=O ZINC000587480173 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(OC)c(OC)cc1OC)CC2=O ZINC000587480218 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(OC)c(OC)cc1OC)CC2=O ZINC000587480219 II Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587480418 II Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587480419 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)[nH]c3cc(OC)cc(OC)c13)CC2=O ZINC000587480643 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)[nH]c3cc(OC)cc(OC)c13)CC2=O ZINC000587480644 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCCCC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587480807 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCCCC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587480824 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587480852 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587480858 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587480864 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587480869 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 ZINC000587481033 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 ZINC000587481042 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 ZINC000587481048 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 ZINC000587481057 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c21 ZINC000587481101 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c21 ZINC000587481125 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587481297 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587481298 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)CC2=O ZINC000587481329 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)CC2=O ZINC000587481330 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)CC2=O ZINC000587481527 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)CC2=O ZINC000587481540 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc3ccccc3c1)CC2=O ZINC000587481724 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc3ccccc3c1)CC2=O ZINC000587481727 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C#N)CC2=O ZINC000587481904 II Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C#N)CC2=O ZINC000587481921 II Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C#N)CC2=O ZINC000587481924 II Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C#N)CC2=O ZINC000587481926 II Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587482039 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587482041 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587482043 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587482046 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CN(C(=O)OCc3ccccc3)CCO1)CC2=O ZINC000587482457 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CN(C(=O)OCc3ccccc3)CCO1)CC2=O ZINC000587482462 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CN(C(=O)OCc3ccccc3)CCO1)CC2=O ZINC000587482465 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CN(C(=O)OCc3ccccc3)CCO1)CC2=O ZINC000587482469 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccc1OCC)CC2=O ZINC000587482628 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccc1OCC)CC2=O ZINC000587482633 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)CC2=O ZINC000587482738 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)CC2=O ZINC000587482757 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O ZINC000587482827 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O ZINC000587482831 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587483129 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587483131 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOCCOCCOC)cc1)CC2=O ZINC000587483633 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOCCOCCOC)cc1)CC2=O ZINC000587483642 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(S(=O)(=O)NC)c1)CC2=O ZINC000587483728 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(S(=O)(=O)NC)c1)CC2=O ZINC000587483732 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N(CC)CC)cc1)CC2=O ZINC000587483957 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N(CC)CC)cc1)CC2=O ZINC000587483960 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587484271 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587484274 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 ZINC000587484281 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 ZINC000587484285 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587484305 II Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587484306 II Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587484307 II Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587484308 II Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cccn1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587484877 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587484882 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)CC2=O ZINC000587485004 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)CC2=O ZINC000587485011 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587485175 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587485176 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCCCC3)nc3ccccn3c1=O)CC2=O ZINC000587485187 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCCCC3)nc3ccccn3c1=O)CC2=O ZINC000587485189 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC(C)C)cc1)CC2=O ZINC000587485734 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC(C)C)cc1)CC2=O ZINC000587485735 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(=O)(=O)NC)cc3)o1)CC2=O ZINC000587485862 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(=O)(=O)NC)cc3)o1)CC2=O ZINC000587485865 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCc3cc(C(=O)O)no3)c1)CC2=O ZINC000587485992 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCc3cc(C(=O)O)no3)c1)CC2=O ZINC000587485997 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1S(C)(=O)=O)CC2=O ZINC000587486193 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1S(C)(=O)=O)CC2=O ZINC000587486222 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2cc(OCC(=O)O)ccc21 ZINC000587486391 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2cc(OCC(=O)O)ccc21 ZINC000587486395 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)N3CCCCC3)c1)CC2=O ZINC000587488112 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)N3CCCCC3)c1)CC2=O ZINC000587488114 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587488167 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587488173 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]cc(C(=O)OCC)c(=O)c3c1)CC2=O ZINC000587488244 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]cc(C(=O)OCC)c(=O)c3c1)CC2=O ZINC000587488246 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)CC2=O ZINC000587488373 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)CC2=O ZINC000587488374 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)CC2=O ZINC000587488376 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)CC2=O ZINC000587488378 II Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)cc21 ZINC000587488559 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)cc21 ZINC000587488561 II Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CC2=O ZINC000587488836 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)c2cc(C#N)ccc21 ZINC000587489027 II Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)c2cc(C#N)ccc21 ZINC000587489031 II Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C ZINC000587489605 II Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)Cl)C2(C)C ZINC000587489616 II Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C ZINC000587489624 II Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C ZINC000587489631 II Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C ZINC000587489637 II Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)Cl)C2(C)C ZINC000587489643 II Annotated Unstable CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2=O ZINC000587490069 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2=O ZINC000587490072 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCC(=O)c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587490084 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCC(=O)c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587490104 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587490172 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587490174 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OCC)C1)CC2=O ZINC000587490512 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OCC)C1)CC2=O ZINC000587490513 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OCC)C1)CC2=O ZINC000587490515 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OCC)C1)CC2=O ZINC000587490518 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CC(=O)O)cc21 ZINC000587490904 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CC(=O)O)cc21 ZINC000587490908 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2=O ZINC000587491060 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587491070 II Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587491071 II Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587491072 II Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2=O ZINC000587491075 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587491078 II Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CC(=O)O)ccc21 ZINC000587491370 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CC(=O)O)ccc21 ZINC000587491371 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(C(=O)O)ccc21 ZINC000587491913 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(C(=O)O)ccc21 ZINC000587491914 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(C(=O)O)cccc21 ZINC000587492722 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(C(=O)O)cccc21 ZINC000587492723 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(=O)OC)s1)CC2=O ZINC000587492913 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(=O)OC)s1)CC2=O ZINC000587492919 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CC2=O ZINC000587493602 II Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CC2=O ZINC000587493606 II Annotated Bother CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)OCCCO3)CC2=O ZINC000587493753 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)OCCCO3)CC2=O ZINC000587493757 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1sc(-c3ccc(C)n3C)nc1C)CC2=O ZINC000587493873 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1sc(-c3ccc(C)n3C)nc1C)CC2=O ZINC000587493876 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C[C@@H](C)CS3(=O)=O)c1)CC2=O ZINC000587493940 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C[C@@H](C)CS3(=O)=O)c1)CC2=O ZINC000587493941 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C[C@H](C)CS3(=O)=O)c1)CC2=O ZINC000587493942 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C[C@H](C)CS3(=O)=O)c1)CC2=O ZINC000587493943 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587494149 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587494153 II Annotated Anodyne N#Cc1cc2c(nc1O)CC[C@@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495092 II Annotated Reactive N#Cc1cc2c(nc1O)CC[C@@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495099 II Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495104 II Annotated Reactive N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495110 II Annotated Reactive O=C(O)COc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495217 II Annotated Anodyne O=C(O)COc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495219 II Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495532 II Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495538 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587495764 II Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587495765 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587495766 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587495767 II Annotated Reactive O=C1CC2(CCN(c3ncc(Br)cn3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587495828 II Annotated Anodyne C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495879 II Annotated Reactive C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495882 II Annotated Reactive Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496570 II Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496572 II Annotated Anodyne NC1CCN(CC[C@]2(c3ccc(Cl)nc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587496888 II Annotated Anodyne NC1CCN(CC[C@@]2(c3ccc(Cl)nc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587496892 II Annotated Anodyne C#CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497113 II Annotated Mild C#CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497116 II Annotated Mild CCn1cc(Br)c([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587497135 II Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587497136 II Annotated Anodyne CCn1cc(Br)c([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587497137 II Annotated Anodyne CCn1cc(Br)c([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587497139 II Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc3c(s1)CCN(C(C)=O)C3)CC2=O ZINC000587497959 II Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc3c(s1)CCN(C(C)=O)C3)CC2=O ZINC000587497962 II Annotated Reactive O=C1C[C@]2(C[C@H](C(=O)O)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498737 II Annotated Anodyne O=C1C[C@@]2(C[C@H](C(=O)O)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498740 II Annotated Anodyne O=C1C[C@]2(C[C@@H](C(=O)O)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498742 II Annotated Anodyne O=C1C[C@@]2(C[C@@H](C(=O)O)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498743 II Annotated Anodyne O=C(C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)NC1CC1 ZINC000587498789 II Annotated Anodyne O=C(C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)NC1CC1 ZINC000587498793 II Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499806 II Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499815 II Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499847 II Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499851 II Annotated Anodyne COC(=O)c1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587500145 II Annotated Reactive COC(=O)c1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587500148 II Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Br)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587500375 II Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587500377 II Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Br)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587500380 II Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587500382 II Annotated Reactive Cc1cc(Br)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C ZINC000587500991 II Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C ZINC000587500997 II Annotated Anodyne O=C(O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587501315 II Annotated Anodyne O=C(O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587501319 II Annotated Anodyne COc1nccc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501900 II Annotated Anodyne COc1nccc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501903 II Annotated Anodyne CN(C)c1nccc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502235 II Annotated Anodyne CN(C)c1nccc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502256 II Annotated Anodyne CC(=O)NCCc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587502270 II Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587502301 II Annotated Reactive COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504790 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504791 II Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504865 II Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504866 II Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505044 II Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505045 II Annotated Anodyne Cc1c(I)cnn1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505292 II Annotated Anodyne Cc1c(I)cnn1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505297 II Annotated Anodyne CCn1ncc(I)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505445 II Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505447 II Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505868 II Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505871 II Annotated Anodyne Cc1nc(O)c(I)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507030 II Annotated Anodyne Cc1nc(O)c(I)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507034 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507129 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507131 II Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507133 II Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507136 II Annotated Anodyne O=C1C[C@@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)Oc2c1ccc1c2CCCC1 ZINC000587507248 II Annotated Anodyne O=C1C[C@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)Oc2c1ccc1c2CCCC1 ZINC000587507251 II Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587507740 II Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587507744 II Annotated Reactive CCn1cc(I)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587507797 II Annotated Anodyne CCn1cc(I)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587507798 II Annotated Anodyne Cc1nn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587507855 II Annotated Anodyne Cc1nn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587507856 II Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587507911 II Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587507912 II Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587507913 II Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587507914 II Annotated Bother COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S(=O)(=O)C(F)F ZINC000587508052 II Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S(=O)(=O)C(F)F ZINC000587508055 II Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587508130 II Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587508132 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508173 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508174 II Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508321 II Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508323 II Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508779 II Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508781 II Annotated Anodyne COc1cc(I)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587509546 II Annotated Anodyne COc1cc(I)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587509548 II Annotated Anodyne O=C1C[C@](CO)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509580 II Annotated Anodyne O=C1C[C@@](CO)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509584 II Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587510588 II Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587510592 II Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510666 II Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510668 II Annotated Anodyne COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@H](C)C(=O)O ZINC000587511443 II Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@@H](C)C(=O)O ZINC000587511445 II Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@H](C)C(=O)O ZINC000587511447 II Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@@H](C)C(=O)O ZINC000587511451 II Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587511637 II Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587511648 II Annotated Bother Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511848 II Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511850 II Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587511859 II Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587511860 II Annotated Bother NC(=O)Cc1cccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1N ZINC000587512127 II Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)Oc2c1ccc1c2CCCC1 ZINC000587512128 II Annotated Bother NC(=O)Cc1cccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1N ZINC000587512129 II Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)Oc2c1ccc1c2CCCC1 ZINC000587512135 II Annotated Bother O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512137 II Annotated Bother O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512141 II Annotated Bother CC(C)(C)OC(=O)N1CCO[C@@H]([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587512850 II Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587512852 II Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@@H]([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587512853 II Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587512855 II Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587512976 II Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587512978 II Annotated Anodyne COc1c2c(c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c3c1OCO3)CCN(C)C2 ZINC000587513085 II Annotated Anodyne COc1c2c(c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c3c1OCO3)CCN(C)C2 ZINC000587513087 II Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587513454 II Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587513455 II Annotated Bother CC(C)(C)OC(=O)NC[C@H](C[C@H]1CCOC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513695 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@@H]1CCOC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513701 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@H]1CCOC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513704 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](C[C@@H]1CCOC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513706 II Annotated Anodyne CN(C)/C=C\[C@]1([C@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513872 II Annotated Anodyne CN(C)/C=C/[C@]1([C@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513873 II Annotated Anodyne CN(C)/C=C/[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513874 II Annotated Anodyne CN(C)/C=C\[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513875 II Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCCC1 ZINC000587514293 II Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCCC1 ZINC000587514295 II Annotated Anodyne O=C1C[C@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587514325 II Annotated Anodyne O=C1C[C@@H](c2cn(CC(=O)N3CCOCC3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587514329 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514333 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514336 II Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514340 II Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514347 II Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514350 II Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514355 II Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514765 II Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514766 II Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514824 II Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514829 II Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CC1 ZINC000587514911 II Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CC1 ZINC000587514912 II Annotated Anodyne CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514927 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515039 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515040 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587515294 II Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587515295 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587515296 II Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(OC)cc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587515297 II Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515303 II Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515304 II Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515305 II Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515306 II Annotated Anodyne O=C(CN1CCC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1)OCc1ccccc1 ZINC000587515557 II Annotated Anodyne O=C(CN1CCC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1)OCc1ccccc1 ZINC000587515558 II Annotated Anodyne CN(C)/C=C1\CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515846 II Annotated Anodyne CN(C)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515847 II Annotated Anodyne CN(C)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515848 II Annotated Anodyne CN(C)/C=C1\CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515849 II Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587515916 II Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587515919 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516196 II Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516197 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516198 II Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(N(C)C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516199 II Annotated Anodyne Cn1nccc1C[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516221 II Annotated Anodyne Cn1nccc1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516222 II Annotated Anodyne Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516223 II Annotated Anodyne Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516224 II Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516420 II Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516423 II Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(C(=O)O)cn1 ZINC000587516568 II Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(C(=O)O)cn1 ZINC000587516570 II Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516583 II Annotated Anodyne CCOC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516586 II Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516588 II Annotated Anodyne CCOC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516590 II Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516850 II Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516851 II Annotated Anodyne Cc1ccc([C@@]2(C[C@H](C(=O)O)n3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516852 II Annotated Anodyne Cc1ccc([C@@]2(C[C@@H](C(=O)O)n3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516853 II Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516868 II Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516869 II Annotated Anodyne Cn1cc(C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517318 II Annotated Anodyne Cn1cc(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517319 II Annotated Anodyne Cn1cc(C[C@@H](CNC(=O)OC(C)(C)C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517320 II Annotated Anodyne Cn1cc(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517321 II Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517452 II Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517453 II Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517454 II Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517455 II Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517782 II Annotated Anodyne COC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517783 II Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517784 II Annotated Anodyne COC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517785 II Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517821 II Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517822 II Annotated Anodyne CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517823 II Annotated Anodyne CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517824 II Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC1(CCNCC1)O2 ZINC000587517869 II Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC1(CCNCC1)O2 ZINC000587517870 II Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587518221 II Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587518222 II Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518536 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518537 II Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518538 II Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518539 II Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521739 II Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521740 II Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O[C@H](C)C(=O)O ZINC000587521743 II Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587521744 II Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587521745 II Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1O[C@H](C)C(=O)O ZINC000587521746 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587522143 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587522154 II Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522315 II Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522322 II Annotated Anodyne O=C1C[C@@H](c2c(N3CCCCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587523148 II Annotated Anodyne O=C1C[C@H](c2c(N3CCCCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587523157 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523765 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523768 II Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@@H]2CC(=O)c4ccc5c(c4O2)CCCC5)OCO3)n1 ZINC000587524815 II Annotated Anodyne Cc1noc(COc2cc3c(cc2[C@H]2CC(=O)c4ccc5c(c4O2)CCCC5)OCO3)n1 ZINC000587524850 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524924 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524925 II Annotated Anodyne Cc1cccc(C(=O)[C@]2(c3ccc4ncnn4c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587524938 II Annotated Anodyne Cc1cccc(C(=O)[C@@]2(c3ccc4ncnn4c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587524953 II Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524977 II Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524981 II Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587525491 II Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587525493 II Annotated Anodyne Cc1cccc([C@@]2(C(=O)c3ccc4ncnn4c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587525801 II Annotated Anodyne Cc1cccc([C@]2(C(=O)c3ccc4ncnn4c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587525802 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527473 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527474 II Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527564 II Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527566 II Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527577 II Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527579 II Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OCc1ccccc1 ZINC000587527867 II Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OCc1ccccc1 ZINC000587527871 II Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587528027 II Annotated Anodyne COc1cc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587528028 II Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1=O ZINC000587528375 II Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1=O ZINC000587528376 II Annotated Anodyne C[C@@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529477 II Annotated Anodyne C[C@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529478 II Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529704 II Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529708 II Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529733 II Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529735 II Annotated Anodyne O=C1C[C@](CBr)(CS(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530038 II Annotated Reactive O=C1C[C@@](CBr)(CS(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530047 II Annotated Reactive Cn1cnnc1Sc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587530642 II Annotated Bother Cn1cnnc1Sc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587530643 II Annotated Bother CNS(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587530829 II Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587530831 II Annotated Anodyne O=C1CC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587531169 II Annotated Anodyne [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531175 II Annotated Unstable [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531176 II Annotated Unstable CS(=O)(=O)c1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531197 II Annotated Reactive CS(=O)(=O)c1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531201 II Annotated Reactive CCN(c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O ZINC000587531211 II Annotated Reactive CCN(c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O ZINC000587531216 II Annotated Reactive Cc1cc(O)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(O)cc(O)c1C2=O ZINC000587531395 II Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(O)cc(O)c1C2=O ZINC000587531396 II Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531723 II Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531724 II Annotated Anodyne [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531756 II Annotated Unstable [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531757 II Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531762 II Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531768 II Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531982 II Annotated Reactive C[C@@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531983 II Annotated Reactive C[C@@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531985 II Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531986 II Annotated Reactive CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587532147 II Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587532150 II Annotated Anodyne NS(=O)(=O)c1cc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587532153 II Annotated Anodyne NS(=O)(=O)c1cc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587532154 II Annotated Anodyne C[C@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532173 II Annotated Anodyne C[C@@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532174 II Annotated Anodyne CS(=O)(=O)c1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532564 II Annotated Anodyne CS(=O)(=O)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532565 II Annotated Anodyne CN(c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O ZINC000587532821 II Annotated Reactive CN(c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O ZINC000587532825 II Annotated Reactive O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532859 II Annotated Unstable O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532865 II Annotated Unstable CS(=O)(=O)c1ccc([C@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532904 II Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532908 II Annotated Reactive N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533065 II Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533077 II Annotated Mild C[C@H]1CN(c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)S(=O)(=O)C1 ZINC000587533152 II Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)S(=O)(=O)C1 ZINC000587533168 II Annotated Anodyne C[C@H]1CN(c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)S(=O)(=O)C1 ZINC000587533170 II Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)S(=O)(=O)C1 ZINC000587533171 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587533217 II Annotated Anodyne CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533301 II Annotated Reactive CS(=O)(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533317 II Annotated Reactive CS(=O)(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533319 II Annotated Reactive CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533321 II Annotated Reactive O=C1C[C@]2(CCS(=O)(=O)c3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587533342 II Annotated Anodyne O=C1C[C@@]2(CCS(=O)(=O)c3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587533370 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533768 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533769 II Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587534033 II Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 ZINC000587534042 II Annotated Clean CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534211 II Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534215 II Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534292 II Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534293 II Annotated Reactive C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534413 II Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534414 II Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587534679 II Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 ZINC000587534681 II Annotated Clean COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536307 II Annotated Anodyne COC(=O)[C@H]1C(=O)N(C(C)C)c2sccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536308 II Annotated Anodyne COC(=O)[C@H]1C(=O)N(C(C)C)c2sccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536309 II Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536310 II Annotated Anodyne O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587536502 II Annotated Anodyne O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587536503 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(O)cc1 ZINC000587537319 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(O)cc1 ZINC000587537322 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(O)cc1 ZINC000587537324 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(O)cc1 ZINC000587537325 II Annotated Reactive COc1ccnc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537625 II Annotated Reactive COc1ccnc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537626 II Annotated Reactive COc1ccnc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537627 II Annotated Reactive COc1ccnc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537628 II Annotated Reactive O=C(Cc1cccc(Br)c1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537723 II Annotated Anodyne O=C(Cc1cccc(Br)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537727 II Annotated Anodyne O=C(Cc1cccc(Br)c1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537729 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)Cc1cccc(Br)c1 ZINC000587537730 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(Br)cc1 ZINC000587537900 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(Br)cc1 ZINC000587537909 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(Br)cc1 ZINC000587537910 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(Br)cc1 ZINC000587537911 II Annotated Anodyne O=C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537966 II Annotated Mild O=C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537968 II Annotated Mild O=C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537970 II Annotated Mild O=C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537971 II Annotated Mild O=C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537986 II Annotated Mild O=C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537988 II Annotated Mild O=C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537989 II Annotated Mild O=C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537990 II Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(O)c1 ZINC000587538052 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(O)c1 ZINC000587538053 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(O)c1 ZINC000587538054 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(O)c1 ZINC000587538055 II Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538142 II Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538143 II Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538144 II Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538145 II Annotated Reactive O=C[C@@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538207 II Annotated Mild O=C[C@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538208 II Annotated Mild O=C[C@@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538209 II Annotated Mild O=C[C@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538210 II Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Br)c1O ZINC000587538501 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Br)c1O ZINC000587538502 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Br)c1O ZINC000587538503 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Br)c1O ZINC000587538504 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(O)c1Br ZINC000587539059 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(O)c1Br ZINC000587539060 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(O)c1Br ZINC000587539061 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(O)c1Br ZINC000587539062 II Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587539095 II Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587539096 II Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587539097 II Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587539098 II Annotated Anodyne CN(C)c1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539189 II Annotated Anodyne CN(C)c1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539190 II Annotated Anodyne CN(C)c1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539191 II Annotated Anodyne CN(C)c1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539192 II Annotated Anodyne C[C@@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539375 II Annotated Anodyne C[C@]1(Cc2nc(=NC(=O)c3ccccc3)s[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539379 II Annotated Anodyne O=C(c1ccccc1Br)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539400 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1ccccc1Br ZINC000587539402 II Annotated Anodyne O=C(c1ccccc1Br)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539404 II Annotated Anodyne O=C(c1ccccc1Br)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539406 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccccc1Br ZINC000587539489 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccccc1Br ZINC000587539490 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccccc1Br ZINC000587539491 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccccc1Br ZINC000587539492 II Annotated Anodyne CCn1cc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587539559 II Annotated Anodyne CCn1cc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587539560 II Annotated Anodyne CCn1cc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587539561 II Annotated Anodyne CCn1cc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587539562 II Annotated Anodyne Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539696 II Annotated Reactive Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539697 II Annotated Reactive Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539698 II Annotated Reactive Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539699 II Annotated Reactive Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1Br ZINC000587539750 II Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1Br ZINC000587539751 II Annotated Anodyne Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1Br ZINC000587539752 II Annotated Anodyne Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1Br ZINC000587539753 II Annotated Anodyne Cc1nc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587539872 II Annotated Reactive Cc1nc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587539873 II Annotated Reactive Cc1nc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587539874 II Annotated Reactive Cc1nc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587539875 II Annotated Reactive N#CC[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539998 II Annotated Mild N#CC[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540002 II Annotated Mild N#CC[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540004 II Annotated Mild N#CC[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540005 II Annotated Mild CCn1ncc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540152 II Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540153 II Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540154 II Annotated Anodyne CCn1ncc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540155 II Annotated Anodyne O=C(c1cccc(Br)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540253 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1cccc(Br)c1 ZINC000587540254 II Annotated Anodyne O=C(c1cccc(Br)c1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540255 II Annotated Anodyne O=C(c1cccc(Br)c1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540256 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(Br)c1 ZINC000587540674 II Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(Br)c1 ZINC000587540675 II Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(Br)c1 ZINC000587540676 II Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(Br)c1 ZINC000587540677 II Annotated Clean CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541271 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541272 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541273 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541274 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(Br)cc1O ZINC000587541361 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(Br)cc1O ZINC000587541362 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(Br)cc1O ZINC000587541363 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(Br)cc1O ZINC000587541364 II Annotated Anodyne CN1C(=O)CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587541475 II Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587541477 II Annotated Reactive CN1C(=O)CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587541478 II Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587541480 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587541962 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587541969 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587541971 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587541973 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)cc1O ZINC000587542108 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)cc1O ZINC000587542109 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)cc1O ZINC000587542110 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)cc1O ZINC000587542111 II Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542664 II Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542668 II Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542670 II Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542672 II Annotated Anodyne Cc1nc(O)c(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542969 II Annotated Anodyne Cc1nc(O)c(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542975 II Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542977 II Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542980 II Annotated Anodyne O=C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543065 II Annotated Mild O=C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543068 II Annotated Mild O=C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543071 II Annotated Mild O=C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543073 II Annotated Mild CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543094 II Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543096 II Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543098 II Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543099 II Annotated Reactive O=CN1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587543107 II Annotated Reactive O=CN1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587543117 II Annotated Reactive O=CN1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587543119 II Annotated Reactive O=CN1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587543120 II Annotated Reactive C[C@@]1(CC(=O)NCc2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543586 II Annotated Anodyne C[C@@]1(CC(=O)NCc2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543597 II Annotated Anodyne C[C@]1(CC(=O)NCc2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543602 II Annotated Anodyne C[C@]1(CC(=O)NCc2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543605 II Annotated Anodyne O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543714 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1ccc(Br)cc1 ZINC000587543715 II Annotated Anodyne O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543717 II Annotated Anodyne O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543719 II Annotated Anodyne CC(=O)Nc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587543874 II Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587543875 II Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587543876 II Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587543877 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587543965 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587543973 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587543975 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587543978 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587544045 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587544046 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587544047 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587544048 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544241 II Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544248 II Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544250 II Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544252 II Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)c1 ZINC000587544529 II Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)c1 ZINC000587544531 II Annotated Reactive Cc1cccc(-n2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)c1 ZINC000587544532 II Annotated Reactive Cc1cccc(-n2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)c1 ZINC000587544533 II Annotated Reactive COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1Br ZINC000587544853 II Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1Br ZINC000587544854 II Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1Br ZINC000587544855 II Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1Br ZINC000587544856 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1nc(Br)ccc12 ZINC000587544880 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1nc(Br)ccc12 ZINC000587544882 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1nc(Br)ccc12 ZINC000587544885 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1nc(Br)ccc12 ZINC000587544888 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(Br)nc12 ZINC000587545434 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(Br)nc12 ZINC000587545435 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(Br)nc12 ZINC000587545436 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(Br)nc12 ZINC000587545437 II Annotated Anodyne COc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Br ZINC000587545458 II Annotated Anodyne COc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Br ZINC000587545459 II Annotated Anodyne COc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Br ZINC000587545460 II Annotated Anodyne COc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Br ZINC000587545461 II Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546075 II Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546076 II Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546078 II Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546080 II Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587546294 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587546297 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587546301 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587546303 II Annotated Reactive O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587546376 II Annotated Reactive O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587546379 II Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587546381 II Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587546383 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1[N+](=O)[O-] ZINC000587546520 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1[N+](=O)[O-] ZINC000587546521 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1[N+](=O)[O-] ZINC000587546522 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1[N+](=O)[O-] ZINC000587546523 II Annotated Bother CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546824 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546825 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546826 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546827 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546828 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546829 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546830 II Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546831 II Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587547203 II Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587547205 II Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587547208 II Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587547211 II Annotated Anodyne COc1ccc(Br)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547213 II Annotated Anodyne COc1ccc(Br)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547215 II Annotated Anodyne COc1ccc(Br)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547218 II Annotated Anodyne COc1ccc(Br)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547221 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(Br)cc1 ZINC000587547262 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(Br)cc1 ZINC000587547273 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(Br)cc1 ZINC000587547275 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(Br)cc1 ZINC000587547277 II Annotated Anodyne COc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547778 II Annotated Anodyne COc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547779 II Annotated Anodyne COc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547780 II Annotated Anodyne COc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547781 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548068 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548070 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548071 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548073 II Annotated Anodyne COc1ncc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548386 II Annotated Anodyne COc1ncc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548388 II Annotated Anodyne COc1ncc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548389 II Annotated Anodyne COc1ncc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548390 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(CCl)c1O ZINC000587549211 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(CCl)c1O ZINC000587549220 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(CCl)c1O ZINC000587549222 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(CCl)c1O ZINC000587549223 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000587549224 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000587549237 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000587549239 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000587549241 II Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587550402 II Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587550403 II Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587550404 II Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587550405 II Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550466 II Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550467 II Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550468 II Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550469 II Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550612 II Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550613 II Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550614 II Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550615 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551128 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551129 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551130 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551131 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(c1ncc3c(Cl)nccn13)C2 ZINC000587551795 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(c1ncc3c(Cl)nccn13)C2 ZINC000587551796 II Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1-c1ccccc1 ZINC000587552011 II Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1-c1ccccc1 ZINC000587552012 II Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1-c1ccccc1 ZINC000587552013 II Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1-c1ccccc1 ZINC000587552014 II Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587552109 II Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587552110 II Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587552111 II Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 ZINC000587552112 II Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587552121 II Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587552122 II Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587552123 II Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587552124 II Annotated Anodyne COC(OC)c1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552249 II Annotated Anodyne COC(OC)c1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552250 II Annotated Anodyne COC(OC)c1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552251 II Annotated Anodyne COC(OC)c1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552252 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(F)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587552747 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(F)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587552802 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(F)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587552804 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC(F)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587552806 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587553081 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587553086 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587553088 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587553090 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)C(=O)O)cc1 ZINC000587553477 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)C(=O)O)cc1 ZINC000587553482 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)C(=O)O)cc1 ZINC000587553485 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)C(=O)O)cc1 ZINC000587553487 II Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553726 II Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553727 II Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553729 II Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553730 II Annotated Anodyne C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554228 II Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554229 II Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554230 II Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554231 II Annotated Bother COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587554408 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587554410 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587554412 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587554416 II Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554741 II Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554746 II Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554747 II Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554748 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1OC(F)F)OCO2 ZINC000587554953 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1OC(F)F)OCO2 ZINC000587554955 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1OC(F)F)OCO2 ZINC000587554958 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1OC(F)F)OCO2 ZINC000587554962 II Annotated Anodyne Cc1nn(-c2ccnc(Cl)n2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555301 II Annotated Anodyne Cc1nn(-c2ccnc(Cl)n2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555329 II Annotated Anodyne Cc1nn(-c2ccnc(Cl)n2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555330 II Annotated Anodyne Cc1nn(-c2ccnc(Cl)n2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555331 II Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555642 II Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555644 II Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555647 II Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555648 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556074 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556081 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556083 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556084 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(F)(F)C1 ZINC000587556267 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(F)(F)C1 ZINC000587556270 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(F)(F)C1 ZINC000587556271 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(F)(F)C1 ZINC000587556273 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000587556481 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587556484 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587556486 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587556487 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000587556488 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587556491 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000587556492 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000587556495 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)C(=O)O)c1 ZINC000587556941 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)C(=O)O)c1 ZINC000587556942 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)C(=O)O)c1 ZINC000587556944 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)C(=O)O)c1 ZINC000587556946 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587556948 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587556950 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587556952 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587556954 II Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557247 II Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557249 II Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557250 II Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557252 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557323 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557324 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557325 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557326 II Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557335 II Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557336 II Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557337 II Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557338 II Annotated Anodyne Cc1ccc(-c2nc3nc(O)nc(O)c3cc2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587557632 II Annotated Anodyne Cc1ccc(-c2nc3nc(O)nc(O)c3cc2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587557633 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587557725 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587557726 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587557727 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587557728 II Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557886 II Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557887 II Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557888 II Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557889 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587558042 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587558043 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587558046 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587558047 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558189 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558190 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558191 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558192 II Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558303 II Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558308 II Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558309 II Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558310 II Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(C(F)(F)F)c21 ZINC000587558559 II Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(C(F)(F)F)c21 ZINC000587558560 II Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(C(F)(F)F)c21 ZINC000587558561 II Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(C(F)(F)F)c21 ZINC000587558562 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587558913 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587558914 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587558915 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587558916 II Annotated Anodyne C[C@@]1(c2c(F)cccc2N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559090 II Annotated Anodyne C[C@]1(c2c(F)cccc2N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559091 II Annotated Anodyne C[C@@]1(c2c(F)cccc2N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559092 II Annotated Anodyne C[C@]1(c2c(F)cccc2N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559093 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559343 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559344 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559345 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559346 II Annotated Anodyne C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5CC4=C3C=C[C@@]21C ZINC000587560317 II Annotated Mild CCCCCCC[C@H](O)Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O)c(OC)c1 ZINC000587560337 II Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000587561773 II Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c(-c2nc3nc(O)nc(O)c3cc2CCCC)c1O ZINC000587562007 II Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587563692 II Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587563760 II Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2ccccc2Br)nc1CC3 ZINC000587563924 II Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2ccc(Br)cc2)nc1CC3 ZINC000587564459 II Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587565502 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 ZINC000587566157 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587566349 II Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587566511 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCOCc4ccccc4)[nH]c3c2)cc1 ZINC000587566513 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](F)C1 ZINC000587567029 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](F)C1 ZINC000587567030 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](F)C1 ZINC000587567031 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](F)C1 ZINC000587567032 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567182 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567183 II Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567184 II Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567185 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)o1 ZINC000587567541 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)o1 ZINC000587567542 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)o1 ZINC000587567543 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)o1 ZINC000587567544 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587567813 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587567818 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587567819 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587567820 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(I)c1 ZINC000587567952 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(I)c1 ZINC000587567955 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(I)c1 ZINC000587567956 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(I)c1 ZINC000587567957 II Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568439 II Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568440 II Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568441 II Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568442 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568480 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568481 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568482 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568483 II Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587568508 II Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568670 II Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568674 II Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568676 II Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568677 II Annotated Anodyne C#CCNC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568698 II Annotated Mild C#CCNC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568700 II Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568701 II Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568702 II Annotated Mild CCN(CC)C(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568738 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568740 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568741 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568742 II Annotated Anodyne CN(C)/C=C/[C@@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568785 II Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568792 II Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568794 II Annotated Anodyne CN(C)/C=C/[C@@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568796 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587568799 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587568801 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587568803 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587568804 II Annotated Anodyne COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568867 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568868 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568869 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568870 II Annotated Bother C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569221 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569223 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569225 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569227 II Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569441 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569442 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569443 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569444 II Annotated Mild Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569626 II Annotated Anodyne Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569627 II Annotated Anodyne Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569628 II Annotated Anodyne Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569630 II Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569693 II Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569695 II Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569696 II Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569698 II Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569821 II Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569822 II Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569823 II Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569824 II Annotated Unstable COc1ccc([C@]2(CCN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587569970 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587569984 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587569988 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587569990 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570001 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570002 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570003 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570004 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570012 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570015 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570017 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570020 II Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570072 II Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570077 II Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570079 II Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570081 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c[nH]1 ZINC000587570265 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c[nH]1 ZINC000587570266 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c[nH]1 ZINC000587570267 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c[nH]1 ZINC000587570268 II Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587570379 II Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587570388 II Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587570391 II Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587570395 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570547 II Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570555 II Annotated Mild CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570556 II Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570557 II Annotated Mild CC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2C1 ZINC000587570667 II Annotated Anodyne CC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2C1 ZINC000587570670 II Annotated Anodyne CC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2C1 ZINC000587570673 II Annotated Anodyne CC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2C1 ZINC000587570675 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570723 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570725 II Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570727 II Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570728 II Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570829 II Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570831 II Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570833 II Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570834 II Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570884 II Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570894 II Annotated Anodyne C[C@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570897 II Annotated Anodyne C[C@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570899 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571320 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571321 II Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571508 II Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571519 II Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571520 II Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571521 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571547 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571549 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572069 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572070 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572071 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572072 II Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572135 II Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572136 II Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572137 II Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572138 II Annotated Anodyne CC(C)(C)NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572475 II Annotated Anodyne CC(C)(C)NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572477 II Annotated Anodyne CC(C)(C)NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572478 II Annotated Anodyne CC(C)(C)NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572480 II Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572514 II Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572515 II Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572516 II Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572517 II Annotated Anodyne CN(C)c1nc2ccccc2c(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572544 II Annotated Anodyne CN(C)c1nc2ccccc2c(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572551 II Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572591 II Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572592 II Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572593 II Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572594 II Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncn1)c1ccc(F)cc1 ZINC000587572663 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncn1)c1ccc(F)cc1 ZINC000587572664 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncn1)c1ccc(F)cc1 ZINC000587572665 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncn1)c1ccc(F)cc1 ZINC000587572666 II Annotated Anodyne CN(C)c1nc2ccccc2c(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572691 II Annotated Anodyne CN(C)c1nc2ccccc2c(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572692 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572912 II Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572914 II Annotated Bother CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572916 II Annotated Bother CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572917 II Annotated Bother CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573089 II Annotated Bother CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573090 II Annotated Bother CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573304 II Annotated Bother CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573305 II Annotated Bother CCOC(=O)C[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573317 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000587573318 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000587573319 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000587573320 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000587573321 II Annotated Bother CCOC(=O)C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573323 II Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573324 II Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573326 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000587573395 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000587573397 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000587573399 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000587573401 II Annotated Anodyne Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587573481 II Annotated Anodyne Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587573482 II Annotated Anodyne Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587573483 II Annotated Anodyne Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587573484 II Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCCCN(C)C ZINC000587573925 II Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCCCN(C)C ZINC000587573927 II Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCCCN(C)C ZINC000587573929 II Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCCCN(C)C ZINC000587573931 II Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587573967 II Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587573968 II Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587573969 II Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587573970 II Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587573971 II Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587573972 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C#N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574314 II Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574315 II Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574316 II Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574317 II Annotated Mild Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1ccc(F)cc1 ZINC000587574425 II Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1ccc(F)cc1 ZINC000587574426 II Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1ccc(F)cc1 ZINC000587574427 II Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1ccc(F)cc1 ZINC000587574428 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574830 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574833 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574836 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574838 II Annotated Anodyne CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575073 II Annotated Bother CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575074 II Annotated Bother CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575075 II Annotated Bother CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575076 II Annotated Bother CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575119 II Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575120 II Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575121 II Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575122 II Annotated Anodyne COC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575171 II Annotated Anodyne COC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575172 II Annotated Anodyne COC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575173 II Annotated Anodyne COC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575174 II Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575203 II Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575204 II Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575205 II Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575206 II Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575315 II Annotated Bother CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575316 II Annotated Bother CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575317 II Annotated Bother CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575318 II Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587575323 II Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587575324 II Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587575325 II Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587575326 II Annotated Bother CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575450 II Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575451 II Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575452 II Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575453 II Annotated Anodyne COc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1NC(=O)C(C)(C)C ZINC000587575502 II Annotated Anodyne COc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1NC(=O)C(C)(C)C ZINC000587575503 II Annotated Anodyne COc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1NC(=O)C(C)(C)C ZINC000587575504 II Annotated Anodyne COc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1NC(=O)C(C)(C)C ZINC000587575505 II Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000587575714 II Annotated Bother Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000587575715 II Annotated Bother Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000587575716 II Annotated Bother Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000587575717 II Annotated Bother CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575790 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575791 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575792 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575793 II Annotated Anodyne C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575926 II Annotated Bother C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575927 II Annotated Bother C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575929 II Annotated Bother C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575931 II Annotated Bother CC(=O)Nc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576054 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576055 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576056 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576057 II Annotated Anodyne C[C@@]1(c2ccc(NC(=O)CCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576090 II Annotated Anodyne C[C@]1(c2ccc(NC(=O)CCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576091 II Annotated Anodyne C[C@@]1(c2ccc(NC(=O)CCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576092 II Annotated Anodyne C[C@]1(c2ccc(NC(=O)CCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576093 II Annotated Anodyne C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576140 II Annotated Bother C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576142 II Annotated Bother C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576143 II Annotated Bother C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576145 II Annotated Bother COc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587576197 II Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587576201 II Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587576204 II Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587576206 II Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576275 II Annotated Mild N#Cc1cc2c(nc1N)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576288 II Annotated Mild N#Cc1cc2c(nc1N)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576289 II Annotated Mild N#Cc1cc2c(nc1N)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576290 II Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1 ZINC000587576350 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1 ZINC000587576355 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1 ZINC000587576356 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1 ZINC000587576358 II Annotated Bother C[C@@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576826 II Annotated Anodyne C[C@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576827 II Annotated Anodyne C[C@@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576828 II Annotated Anodyne C[C@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576829 II Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577020 II Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577022 II Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577024 II Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577026 II Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577136 II Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577138 II Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577140 II Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577142 II Annotated Anodyne O=C(NC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587577157 II Annotated Anodyne O=C(NC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587577158 II Annotated Anodyne C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577270 II Annotated Bother C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577271 II Annotated Bother C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577272 II Annotated Bother C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577273 II Annotated Bother CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587577284 II Annotated Anodyne CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587577285 II Annotated Anodyne CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587577286 II Annotated Anodyne CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587577288 II Annotated Anodyne Cn1ccnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577317 II Annotated Anodyne Cn1ccnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577320 II Annotated Anodyne Cn1ccnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577322 II Annotated Anodyne Cn1ccnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577324 II Annotated Anodyne C[C@@]1(CCCOc2ccccc2C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577425 II Annotated Anodyne C[C@@]1(CCCOc2ccccc2C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577430 II Annotated Anodyne C[C@]1(CCCOc2ccccc2C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577432 II Annotated Anodyne C[C@]1(CCCOc2ccccc2C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577434 II Annotated Anodyne O=C(N[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587577458 II Annotated Anodyne O=C(N[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587577461 II Annotated Anodyne O=C(N[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587577463 II Annotated Anodyne O=C(N[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587577466 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000587577472 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000587577473 II Annotated Bother COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-] ZINC000587577538 II Annotated Bother COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-] ZINC000587577539 II Annotated Bother COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-] ZINC000587577540 II Annotated Bother COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-] ZINC000587577541 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O ZINC000587577892 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O ZINC000587577894 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O ZINC000587577895 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O ZINC000587577896 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000587577921 II Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000587577922 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000587577923 II Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000587577924 II Annotated Bother NC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587578170 II Annotated Anodyne NC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587578172 II Annotated Anodyne NC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587578173 II Annotated Anodyne NC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587578174 II Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587578598 II Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587578599 II Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587578601 II Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587578603 II Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578683 II Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578684 II Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578685 II Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578686 II Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587578808 II Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587578816 II Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587578818 II Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587578819 II Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579163 II Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579169 II Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579172 II Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579174 II Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1Cc1ccccc1 ZINC000587579289 II Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1Cc1ccccc1 ZINC000587579294 II Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1Cc1ccccc1 ZINC000587579295 II Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1Cc1ccccc1 ZINC000587579296 II Annotated Anodyne C[C@@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579516 II Annotated Anodyne C[C@@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579517 II Annotated Anodyne C[C@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579519 II Annotated Anodyne C[C@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579522 II Annotated Anodyne Cn1nccc1C(=O)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587579614 II Annotated Anodyne Cn1nccc1C(=O)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587579616 II Annotated Anodyne Cn1nccc1C(=O)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587579618 II Annotated Anodyne Cn1nccc1C(=O)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587579620 II Annotated Anodyne COc1ccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587579621 II Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587579622 II Annotated Anodyne COc1ccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587579623 II Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587579624 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579768 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579769 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579770 II Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579771 II Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579814 II Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579815 II Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579816 II Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579817 II Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579886 II Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579887 II Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579888 II Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579889 II Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587579933 II Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587579938 II Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587579940 II Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587579941 II Annotated Anodyne C[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579999 II Annotated Anodyne C[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580002 II Annotated Anodyne C[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580006 II Annotated Anodyne C[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580008 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN([C@@H](C(=O)O)c1ccccc1)CC2 ZINC000587580031 II Annotated Anodyne O=C(O)[C@@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580034 II Annotated Anodyne O=C(O)[C@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580037 II Annotated Anodyne O=C(O)[C@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580040 II Annotated Anodyne COC(=O)c1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C ZINC000587580065 II Annotated Clean COC(=O)c1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C ZINC000587580072 II Annotated Clean COC(=O)c1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C ZINC000587580075 II Annotated Clean COC(=O)c1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C ZINC000587580077 II Annotated Clean Cc1ccc(-n2nnc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580127 II Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580129 II Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580131 II Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580132 II Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587580192 II Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587580193 II Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587580194 II Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587580195 II Annotated Anodyne CC(C)(C)C(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1C#N ZINC000587580196 II Annotated Mild CC(C)(C)C(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1C#N ZINC000587580197 II Annotated Mild CC(C)(C)C(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1C#N ZINC000587580198 II Annotated Mild CC(C)(C)C(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1C#N ZINC000587580199 II Annotated Mild O=C(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NCC1CC1 ZINC000587580200 II Annotated Anodyne O=C(COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NCC1CC1 ZINC000587580201 II Annotated Anodyne O=C(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NCC1CC1 ZINC000587580202 II Annotated Anodyne O=C(COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NCC1CC1 ZINC000587580203 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CCOCc1ccccc1)CC2 ZINC000587580284 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CCOCc1ccccc1)CC2 ZINC000587580285 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000587580338 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000587580341 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000587580344 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000587580346 II Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C ZINC000587580363 II Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C ZINC000587580365 II Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C ZINC000587580366 II Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C ZINC000587580367 II Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580608 II Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580609 II Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580610 II Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580611 II Annotated Anodyne C[C@H]1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)C[C@@H](C)O1 ZINC000587580648 II Annotated Anodyne C[C@@H]1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)C[C@@H](C)O1 ZINC000587580649 II Annotated Anodyne C[C@@H]1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)C[C@@H](C)O1 ZINC000587580650 II Annotated Anodyne C[C@H]1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)C[C@@H](C)O1 ZINC000587580651 II Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587580787 II Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587580795 II Annotated Anodyne COc1ccnc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C#N ZINC000587580819 II Annotated Mild COc1ccnc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C#N ZINC000587580835 II Annotated Mild COc1ccnc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C#N ZINC000587580837 II Annotated Mild COc1ccnc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C#N ZINC000587580839 II Annotated Mild CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581009 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581012 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581013 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581015 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581085 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581088 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581089 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581090 II Annotated Anodyne N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccncc2)n1 ZINC000587581202 II Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccncc2)n1 ZINC000587581203 II Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccncc2)n1 ZINC000587581204 II Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccncc2)n1 ZINC000587581205 II Annotated Mild CC(C)(C)OC(=O)N1CC[C@](C)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581273 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](C)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581274 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](C)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581275 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](C)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581276 II Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581351 II Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581353 II Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581356 II Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587581358 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(CO)CC2)cc1 ZINC000587581440 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(CO)CC2)cc1 ZINC000587581443 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(CO)CC2)cc1 ZINC000587581445 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(CO)CC2)cc1 ZINC000587581447 II Annotated Anodyne C[C@@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581983 II Annotated Anodyne C[C@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581986 II Annotated Anodyne C[C@@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581987 II Annotated Anodyne C[C@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581988 II Annotated Anodyne C[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582181 II Annotated Anodyne C[C@]1([C@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582186 II Annotated Anodyne C[C@]1([C@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582187 II Annotated Anodyne C[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582189 II Annotated Anodyne Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cncn1 ZINC000587582348 II Annotated Anodyne Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cncn1 ZINC000587582349 II Annotated Anodyne Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cncn1 ZINC000587582350 II Annotated Anodyne Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cncn1 ZINC000587582351 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582356 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582357 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582358 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582359 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587582458 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587582459 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587582460 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587582461 II Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587582584 II Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587582585 II Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587582586 II Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587582587 II Annotated Anodyne CN(C)c1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587582662 II Annotated Anodyne CN(C)c1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587582663 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582670 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582671 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582672 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582673 II Annotated Anodyne Cc1cccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 ZINC000587582696 II Annotated Anodyne Cc1cccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 ZINC000587582697 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nn(-c3ccccc3)nc12 ZINC000587582748 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nn(-c3ccccc3)nc12 ZINC000587582749 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nn(-c3ccccc3)nc12 ZINC000587582750 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nn(-c3ccccc3)nc12 ZINC000587582751 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582768 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582769 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582770 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582771 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccccn1 ZINC000587582800 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccccn1 ZINC000587582801 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccccn1 ZINC000587582802 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccccn1 ZINC000587582803 II Annotated Anodyne O=C(O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582804 II Annotated Anodyne O=C(O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582805 II Annotated Anodyne O=C(O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582806 II Annotated Anodyne O=C(O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582807 II Annotated Anodyne C[C@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582926 II Annotated Anodyne C[C@@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582927 II Annotated Anodyne C[C@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582928 II Annotated Anodyne C[C@@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582929 II Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583092 II Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583093 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)OCO3)CC2 ZINC000587583477 II Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)OCO3)CC2 ZINC000587583480 II Annotated Clean O=C(O)c1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587583568 II Annotated Anodyne O=C(O)c1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587583569 II Annotated Anodyne COc1cccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587583706 II Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587583707 II Annotated Anodyne COc1cccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587583708 II Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587583709 II Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583782 II Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583783 II Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583784 II Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583785 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583886 II Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583888 II Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583889 II Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583890 II Annotated Mild Cn1nccc1C(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587584240 II Annotated Anodyne Cn1nccc1C(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587584241 II Annotated Anodyne Cn1nccc1C(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587584242 II Annotated Anodyne Cn1nccc1C(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587584245 II Annotated Anodyne O=C(O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584351 II Annotated Anodyne O=C(O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584352 II Annotated Anodyne O=C(O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584353 II Annotated Anodyne O=C(O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584354 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N(Cc1ccccc1)CC2 ZINC000587584371 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N(Cc1ccccc1)CC2 ZINC000587584372 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N(Cc1ccccc1)CC2 ZINC000587584373 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N(Cc1ccccc1)CC2 ZINC000587584374 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584413 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584414 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584415 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584416 II Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587584563 II Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587584564 II Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587584565 II Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587584566 II Annotated Anodyne Cc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3nnnn3c2cc1C ZINC000587584841 II Annotated Anodyne Cc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3nnnn3c2cc1C ZINC000587584844 II Annotated Anodyne Cc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3nnnn3c2cc1C ZINC000587584845 II Annotated Anodyne Cc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3nnnn3c2cc1C ZINC000587584848 II Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584885 II Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584886 II Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584887 II Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584888 II Annotated Anodyne COc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)nc2cc1OC ZINC000587584937 II Annotated Anodyne COc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)nc2cc1OC ZINC000587584938 II Annotated Anodyne COc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)nc2cc1OC ZINC000587584939 II Annotated Anodyne COc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)nc2cc1OC ZINC000587584940 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000587585016 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000587585019 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H]1COC[C@@H](C2)N1Cc1ccccc1 ZINC000587585099 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@H]1COC[C@@H](C2)N1Cc1ccccc1 ZINC000587585100 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587585150 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587585155 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587585159 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587585163 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587585201 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587585202 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587585204 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587585206 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585274 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585277 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585279 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585281 II Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585719 II Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585720 II Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585721 II Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585722 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585813 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585814 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585815 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585816 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585817 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585818 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585819 II Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1(C)C ZINC000587585820 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1O)OCO3 ZINC000587585869 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1O)OCO3 ZINC000587585870 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1O)OCO3 ZINC000587585871 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1O)OCO3 ZINC000587585872 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586022 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586024 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586026 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586027 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c3c(c1O)CCCN3CCC2 ZINC000587586417 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c3c(c1O)CCCN3CCC2 ZINC000587586418 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c3c(c1O)CCCN3CCC2 ZINC000587586421 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c3c(c1O)CCCN3CCC2 ZINC000587586422 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1O)OCCO3 ZINC000587586546 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1O)OCCO3 ZINC000587586548 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1O)OCCO3 ZINC000587586551 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1O)OCCO3 ZINC000587586553 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3cccnc3)ncc12 ZINC000587587275 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3cccnc3)ncc12 ZINC000587587276 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3cccnc3)ncc12 ZINC000587587277 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3cccnc3)ncc12 ZINC000587587279 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587384 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587385 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587386 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587387 II Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587587472 II Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587587480 II Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587587481 II Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587587483 II Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587886 II Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587901 II Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587903 II Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587906 II Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588042 II Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588043 II Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588045 II Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588046 II Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nc1C ZINC000587588697 II Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nc1C ZINC000587588698 II Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nc1C ZINC000587588699 II Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nc1C ZINC000587588700 II Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588811 II Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588812 II Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588814 II Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588818 II Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588867 II Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588868 II Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588869 II Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588870 II Annotated Anodyne Cc1nc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)no1 ZINC000587589263 II Annotated Anodyne Cc1nc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)no1 ZINC000587589264 II Annotated Anodyne Cc1nc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)no1 ZINC000587589265 II Annotated Anodyne Cc1nc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)no1 ZINC000587589266 II Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587589441 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587589442 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587589443 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587589444 II Annotated Mild O=C(O)c1ncccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589629 II Annotated Anodyne O=C(O)c1ncccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589630 II Annotated Anodyne O=C(O)c1ncccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589631 II Annotated Anodyne O=C(O)c1ncccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589632 II Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590262 II Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590264 II Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590266 II Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590268 II Annotated Anodyne CCOC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590667 II Annotated Anodyne CCOC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590669 II Annotated Anodyne CCOC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590672 II Annotated Anodyne CCOC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590673 II Annotated Anodyne COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587590756 II Annotated Anodyne COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587590757 II Annotated Anodyne COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587590758 II Annotated Anodyne COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587590759 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000587590795 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000587590796 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000587590797 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000587590798 II Annotated Anodyne O=C(O)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587590961 II Annotated Anodyne O=C(O)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587590963 II Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587590965 II Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587590967 II Annotated Anodyne COc1ccc2[nH]c(C(=O)O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587590970 II Annotated Anodyne COc1ccc2[nH]c(C(=O)O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587590974 II Annotated Anodyne COc1ccc2[nH]c(C(=O)O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587590977 II Annotated Anodyne COc1ccc2[nH]c(C(=O)O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587590979 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCNCC1)Oc1ccccc12 ZINC000587591688 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCNCC1)Oc1ccccc12 ZINC000587591689 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCNCC1)Oc1ccccc12 ZINC000587591690 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1(CCNCC1)Oc1ccccc12 ZINC000587591691 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(=O)N1CCCC1 ZINC000587591946 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(=O)N1CCCC1 ZINC000587591948 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(=O)N1CCCC1 ZINC000587591950 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(=O)N1CCCC1 ZINC000587591952 II Annotated Anodyne CCN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587592021 II Annotated Anodyne CCN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587592022 II Annotated Anodyne CCN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587592023 II Annotated Anodyne CCN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587592025 II Annotated Anodyne C[C@@]1(CCc2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592405 II Annotated Anodyne C[C@]1(CCc2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592407 II Annotated Anodyne C[C@@]1(CCc2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592409 II Annotated Anodyne C[C@]1(CCc2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592411 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]nc(Nc3ccccc3)c12 ZINC000587592413 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]nc(Nc3ccccc3)c12 ZINC000587592416 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]nc(Nc3ccccc3)c12 ZINC000587592419 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]nc(Nc3ccccc3)c12 ZINC000587592421 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592624 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592626 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592628 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592630 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592807 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592808 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592809 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592810 II Annotated Anodyne COC(=O)COc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587592869 II Annotated Anodyne COC(=O)COc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587592870 II Annotated Anodyne COC(=O)COc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587592871 II Annotated Anodyne COC(=O)COc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587592872 II Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592887 II Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592889 II Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592891 II Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592893 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587593181 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587593182 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587593183 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587593184 II Annotated Anodyne O=C(O)c1ccc(OC[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593221 II Annotated Anodyne O=C(O)c1ccc(OC[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593224 II Annotated Anodyne O=C(O)c1ccc(OC[C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593226 II Annotated Anodyne O=C(O)c1ccc(OC[C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593229 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000587593401 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000587593402 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000587593403 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000587593404 II Annotated Anodyne CN1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587593560 II Annotated Anodyne CN1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587593561 II Annotated Anodyne CN1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587593562 II Annotated Anodyne CN1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587593563 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587594140 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587594142 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587594144 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587594146 II Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2)C1 ZINC000587594175 II Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2)C1 ZINC000587594176 II Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2)C1 ZINC000587594177 II Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2)C1 ZINC000587594178 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)c1ccccc1)CC2 ZINC000587594192 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)c1ccccc1)CC2 ZINC000587594193 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)c1ccccc1)CC2 ZINC000587594195 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)c1ccccc1)CC2 ZINC000587594196 II Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594247 II Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594248 II Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594249 II Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594250 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594335 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594336 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594337 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594338 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594475 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594481 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594484 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594486 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594525 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594526 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594527 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594528 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594529 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594530 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594531 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594532 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594533 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594534 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594535 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594536 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594539 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594543 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594599 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594602 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594604 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594607 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587594681 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587594682 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587594683 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587594684 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594739 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594740 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594741 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594742 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCN1CCCC1=O ZINC000587594941 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCN1CCCC1=O ZINC000587594944 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCN1CCCC1=O ZINC000587594946 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCN1CCCC1=O ZINC000587594949 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CC2 ZINC000587595113 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CC2 ZINC000587595115 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CC2 ZINC000587595117 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CC2 ZINC000587595118 II Annotated Mild CN1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587595139 II Annotated Anodyne CN1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587595140 II Annotated Anodyne COCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595166 II Annotated Anodyne COCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595167 II Annotated Anodyne COCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595168 II Annotated Anodyne COCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595169 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595254 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595255 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595256 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595257 II Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595292 II Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595293 II Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595294 II Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595295 II Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595317 II Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595319 II Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595321 II Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595323 II Annotated Anodyne CN1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587595523 II Annotated Anodyne CN1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587595524 II Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cccc1c32 ZINC000587595525 II Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cccc1c32 ZINC000587595526 II Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cccc1c32 ZINC000587595527 II Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cccc1c32 ZINC000587595528 II Annotated Anodyne CCOc1ccc([C@]2(C=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587596014 II Annotated Mild CCOc1ccc([C@@]2(C=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587596015 II Annotated Mild CCOc1ccc([C@]2(C=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587596017 II Annotated Mild CCOc1ccc([C@@]2(C=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587596019 II Annotated Mild CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596069 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596071 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596074 II Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596076 II Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596202 II Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596204 II Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596205 II Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596206 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596383 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596385 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596388 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596390 II Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596748 II Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596749 II Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596750 II Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596751 II Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597103 II Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597105 II Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597106 II Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597107 II Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597200 II Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597202 II Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597204 II Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597205 II Annotated Anodyne COCCOCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597279 II Annotated Anodyne COCCOCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597280 II Annotated Anodyne COCCOCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597281 II Annotated Anodyne COCCOCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597282 II Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)=O ZINC000587597627 II Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)=O ZINC000587597659 II Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)=O ZINC000587597661 II Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)=O ZINC000587597663 II Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(C)=O ZINC000587597666 II Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(C)=O ZINC000587597669 II Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(C)=O ZINC000587597672 II Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(C)=O ZINC000587597673 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598022 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598024 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598027 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598029 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598195 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598196 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598197 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598198 II Annotated Anodyne CCOc1ccc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587598391 II Annotated Anodyne CCOc1ccc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587598392 II Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587598393 II Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587598394 II Annotated Anodyne CC(C)OC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598500 II Annotated Anodyne CC(C)OC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598502 II Annotated Anodyne CC(C)OC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598503 II Annotated Anodyne CC(C)OC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598506 II Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598551 II Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598553 II Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598555 II Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598556 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587598653 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587598654 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587598655 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587598656 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598804 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598809 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598811 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598812 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587598849 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587598850 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587598852 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587598854 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599268 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599270 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599271 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599272 II Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599368 II Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599377 II Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599379 II Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599381 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599384 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599386 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599388 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599390 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599735 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599736 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599737 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599738 II Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)C1CC1 ZINC000587601092 II Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)C1CC1 ZINC000587601093 II Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)C1CC1 ZINC000587601094 II Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)C1CC1 ZINC000587601095 II Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601327 II Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601333 II Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601335 II Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601336 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601352 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601353 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601354 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601355 II Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601498 II Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601501 II Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601502 II Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601504 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601533 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601534 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601535 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601536 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602436 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602437 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602438 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602439 II Annotated Anodyne CS(=O)(=O)c1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605293 II Annotated Anodyne CS(=O)(=O)c1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605294 II Annotated Anodyne CS(=O)(=O)c1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605314 II Annotated Anodyne CS(=O)(=O)c1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605316 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OC=C2OCc1ccccc1 ZINC000587605812 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OC=C2OCc1ccccc1 ZINC000587605815 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OC=C2OCc1ccccc1 ZINC000587605817 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OC=C2OCc1ccccc1 ZINC000587605818 II Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606009 II Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606010 II Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606011 II Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606012 II Annotated Unstable C[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606259 II Annotated Unstable C[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606260 II Annotated Unstable C[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606261 II Annotated Unstable C[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606262 II Annotated Unstable N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606275 II Annotated Reactive N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606284 II Annotated Reactive N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606285 II Annotated Reactive N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606286 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)(c1ccc3c(c1)OCO3)CC2 ZINC000587606416 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)(c1ccc3c(c1)OCO3)CC2 ZINC000587606417 II Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606454 II Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606455 II Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606456 II Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606457 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587606632 II Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587606634 II Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587606636 II Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587606637 II Annotated Unstable CS(=O)(=O)c1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606702 II Annotated Anodyne CS(=O)(=O)c1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606703 II Annotated Anodyne CS(=O)(=O)c1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606705 II Annotated Anodyne CS(=O)(=O)c1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606706 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)C(O)O ZINC000587606725 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)C(O)O ZINC000587606726 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)C(O)O ZINC000587606727 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)C(O)O ZINC000587606728 II Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606789 II Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606790 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606791 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606792 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1S(=O)(=O)c1ccccc1 ZINC000587607221 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1S(=O)(=O)c1ccccc1 ZINC000587607225 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1S(=O)(=O)c1ccccc1 ZINC000587607226 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1S(=O)(=O)c1ccccc1 ZINC000587607227 II Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607461 II Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607465 II Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607468 II Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607471 II Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587607704 II Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587607706 II Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587607707 II Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587607709 II Annotated Anodyne O=Cc1cccc([C@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608751 II Annotated Anodyne O=Cc1cccc([C@@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608752 II Annotated Anodyne O=Cc1cccc([C@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608753 II Annotated Anodyne O=Cc1cccc([C@@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608754 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609101 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609107 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609108 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609109 II Annotated Anodyne Nc1nc(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587609420 II Annotated Anodyne Nc1nc(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587609424 II Annotated Anodyne Nc1nc(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587609425 II Annotated Anodyne Nc1nc(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587609426 II Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609656 II Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609657 II Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609658 II Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609659 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1O ZINC000587610103 II Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1O ZINC000587610106 II Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1O ZINC000587610108 II Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1O ZINC000587610109 II Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(O)cc1O ZINC000587610201 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(O)cc1O ZINC000587610203 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(O)cc1O ZINC000587610207 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(O)cc1O ZINC000587610209 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610579 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610582 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610585 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610588 II Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587611542 II Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587611543 II Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587611544 II Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587611545 II Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611755 II Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611759 II Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611762 II Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611763 II Annotated Anodyne COC(=O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612218 II Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612220 II Annotated Reactive COC(=O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612221 II Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612222 II Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCOCC2)nc1Cl ZINC000587612619 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCOCC2)nc1Cl ZINC000587612620 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCOCC2)nc1Cl ZINC000587612621 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCOCC2)nc1Cl ZINC000587612622 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612886 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612894 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612895 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612896 II Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613036 II Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613042 II Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613044 II Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613046 II Annotated Anodyne O=C(O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613826 II Annotated Reactive O=C(O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613827 II Annotated Reactive O=C(O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613829 II Annotated Reactive O=C(O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613830 II Annotated Reactive O=C(O)/C=C/C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613914 II Annotated Anodyne O=C(O)/C=C\C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613921 II Annotated Anodyne O=C(O)/C=C/C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613923 II Annotated Anodyne O=C(O)/C=C\C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613924 II Annotated Anodyne CN(C)C(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614614 II Annotated Reactive CN(C)C(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614615 II Annotated Reactive CN(C)C(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614616 II Annotated Reactive CN(C)C(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614617 II Annotated Reactive CCOC(=O)c1c(N)sc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587614822 II Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587614823 II Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587614824 II Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587614825 II Annotated Anodyne CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614850 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614851 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614852 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614853 II Annotated Reactive C[C@@]1(c2cc(CN3CCOCC3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615077 II Annotated Anodyne C[C@@]1(c2cc(CN3CCOCC3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615078 II Annotated Anodyne C[C@]1(c2cc(CN3CCOCC3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615079 II Annotated Anodyne C[C@]1(c2cc(CN3CCOCC3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615080 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccc(Cl)cc12 ZINC000587615082 II Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccc(Cl)cc12 ZINC000587615088 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccc(Cl)cc12 ZINC000587615090 II Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccc(Cl)cc12 ZINC000587615092 II Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615468 II Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615471 II Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615473 II Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615474 II Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615665 II Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615669 II Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615670 II Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615671 II Annotated Anodyne Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587615958 II Annotated Reactive Cc1csc([C@H](C#N)[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587615959 II Annotated Reactive Cc1csc([C@H](C#N)[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587615960 II Annotated Reactive Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587615961 II Annotated Reactive O=CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587617025 II Annotated Reactive O=CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587617026 II Annotated Reactive O=CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587617027 II Annotated Reactive O=CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 ZINC000587617028 II Annotated Reactive COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC[C@@H]1CO1 ZINC000587617029 II Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC[C@H]1CO1 ZINC000587617030 II Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC[C@H]1CO1 ZINC000587617031 II Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC[C@@H]1CO1 ZINC000587617032 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(CCl)c2c1 ZINC000587617687 II Annotated Reactive CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CCCl ZINC000587618451 II Annotated Reactive C=CCc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618750 II Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCCCl)c2c1 ZINC000587619008 II Annotated Reactive CCOc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619010 II Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(F)(F)F)c2c1 ZINC000587619061 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCCl)c(C)c2c1 ZINC000587619071 II Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(S)c2c1 ZINC000587619193 II Annotated Bother C[C@]1(c2cc3c(s2)SCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619438 II Annotated Anodyne C[C@]1(c2cc3c(s2)SCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619445 II Annotated Anodyne C[C@@]1(c2cc3c(s2)SCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619447 II Annotated Anodyne C[C@@]1(c2cc3c(s2)SCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619448 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(C)=O)c2c1 ZINC000587619484 II Annotated Bother CN1C(=O)CS/C1=C/[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620090 II Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620091 II Annotated Anodyne CN1C(=O)CS/C1=C/[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620092 II Annotated Anodyne CN1C(=O)CS/C1=C/[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620093 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccn3)c2c1 ZINC000587620223 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC(F)(F)F)c2c1 ZINC000587620287 II Annotated Bother CC[C@@H](C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587620484 II Annotated Mild CC[C@H](C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587620486 II Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCCC3)c(C#N)c2c1 ZINC000587620492 II Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C)c2c1 ZINC000587620679 II Annotated Bother CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)CBr ZINC000587620718 II Annotated Reactive O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620775 II Annotated Reactive CC/C(C)=C(\N)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620792 II Annotated Bother CC/C(C)=C(/N)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620794 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCC3)c(C#N)c2c1 ZINC000587620799 II Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccncc3)c2c1 ZINC000587620871 II Annotated Bother CCN(CC)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620879 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C)c2c1 ZINC000587620977 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC#N)c(C(C)C)c2c1 ZINC000587620985 II Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C#N)c2c1 ZINC000587621089 II Annotated Mild CCN(CC)Cc1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621106 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccnc3)c2c1 ZINC000587621137 II Annotated Bother CCC(C)(C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587621281 II Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C#N)c2c1 ZINC000587621290 II Annotated Mild Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621308 II Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621354 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCCC3)c2c1 ZINC000587621469 II Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(N)c2c1 ZINC000587621476 II Annotated Bother CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cn1 ZINC000587621637 II Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621703 II Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(C)(C)C)c(C#N)c2c1 ZINC000587621730 II Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC#N)c(C(C)(C)C)c2c1 ZINC000587621786 II Annotated Mild COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Cl)cc1 ZINC000587621805 II Annotated Anodyne Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cnn1C ZINC000587621879 II Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621901 II Annotated Anodyne Cc1c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cnn1C ZINC000587621917 II Annotated Anodyne COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621922 II Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F ZINC000587621948 II Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1Cl ZINC000587621994 II Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccc(Cl)c1 ZINC000587622056 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1F ZINC000587622095 II Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 ZINC000587622152 II Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622206 II Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622262 II Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622396 II Annotated Anodyne COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587622459 II Annotated Anodyne COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622597 II Annotated Anodyne CC(=O)Nc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)cc1 ZINC000587622599 II Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(F)ccc1F ZINC000587622663 II Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622679 II Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1c(F)cccc1F ZINC000587622708 II Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622801 II Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN1C(=O)c2ccccc2C1=O ZINC000587622909 II Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623007 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(F)cc1 ZINC000587623073 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCO ZINC000587623077 II Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(C#N)cc1 ZINC000587623106 II Annotated Mild CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587623124 II Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623148 II Annotated Anodyne COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623319 II Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623320 II Annotated Bother COc1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c(OC)c1 ZINC000587623384 II Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1[N+](=O)[O-] ZINC000587623389 II Annotated Bother CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623392 II Annotated Anodyne CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623404 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)C1 ZINC000587623446 II Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)C1 ZINC000587623447 II Annotated Mild CN1CCN(c2ccc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3C#N)cc2)CC1 ZINC000587623456 II Annotated Mild CCOC(=O)c1c(C)[nH]c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c1C ZINC000587623484 II Annotated Mild O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623589 II Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623595 II Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)OC(C)(C)C ZINC000587623613 II Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000587624079 II Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000587624123 II Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC ZINC000587624647 II Annotated Anodyne CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626507 II Annotated Mild Nc1c(O)cccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](N)C(=O)O ZINC000587626785 II Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](N)C(=O)O ZINC000587626786 II Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2c(C)cc(Cl)cc12 ZINC000587627074 II Annotated Anodyne COC(=O)[C@]1(Cc2c(C)[nH]c3c(C)cc(Cl)cc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587627105 II Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3c(C)cc(Cl)cc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587627106 II Annotated Anodyne CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627558 II Annotated Anodyne CCn1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(=O)OC)n1 ZINC000587627647 II Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627687 II Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627855 II Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cnn(C)c1C ZINC000587628215 II Annotated Anodyne CCn1nccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(=O)OC ZINC000587628275 II Annotated Anodyne CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cn1 ZINC000587628307 II Annotated Anodyne CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587628311 II Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cn(C)nc1C ZINC000587628456 II Annotated Anodyne CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(=O)OC)cn1 ZINC000587628466 II Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587631531 II Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587631532 II Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587632164 II Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587632165 II Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3ccc(F)c(Cl)c23)c1C ZINC000587632804 II Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587632825 II Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587632852 II Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cc(Cl)c(F)cc23)c1C ZINC000587633046 II Annotated Anodyne Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc(F)ccc23)c2ccccc21 ZINC000587636667 II Annotated Anodyne Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cccc(F)c23)c2ccccc21 ZINC000587637179 II Annotated Anodyne CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637390 II Annotated Anodyne O=C(O)c1cccc2c(N3C(=O)c4ccccc4C3=O)c(-c3ccccc3[N+](=O)[O-])[nH]c12 ZINC000587637762 II Annotated Bother CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)c(C(=O)OCC)n1 ZINC000587638140 II Annotated Anodyne CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638183 II Annotated Anodyne CCOC(=O)c1c(-c2ccccc2I)[nH]c2c(C(=O)O)cccc12 ZINC000587638391 II Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3c(C(=O)O)cccc13)/C(=C\Cl)N2 ZINC000587638826 II Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3c(C(=O)O)cccc13)/C(=C/Cl)N2 ZINC000587638828 II Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=NNc3ccc(OC)cc3)C(=O)OC)c(C(=O)OC)c2c1 ZINC000587641543 II Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(=NNc3ccc(OC)cc3)C(=O)OC)c(C(=O)OC)c2c1 ZINC000587641544 II Annotated Mild CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3ccc([C@@H](C)CC)cc13)c(=O)n2C ZINC000587641850 II Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3ccc([C@H](C)CC)cc13)c(=O)n2C ZINC000587641863 II Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587643264 II Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587643266 II Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646883 II Annotated Bother O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647876 II Annotated Bother CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c(C(=O)OCC)n1 ZINC000587647954 II Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 ZINC000587648769 II Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(OC(F)F)c3)c2c1 ZINC000587649569 II Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Br)c(C(=O)c3ccccc3)c2c1 ZINC000587649718 II Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649835 II Annotated Anodyne COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649845 II Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649904 II Annotated Anodyne CCOC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649909 II Annotated Mild CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650206 II Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3c[nH]c(C=O)c3)c(N3CCC(C(F)(F)F)CC3)c2c1 ZINC000587650311 II Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc(-c3[nH]c4ccc(S(C)(=O)=O)cc4c3C#N)c2C)cc1 ZINC000587650585 II Annotated Mild O=C(c1cc(-c2ccc(Br)cc2)on1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650630 II Annotated Anodyne CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650643 II Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)cc(C)c1Cl ZINC000587650652 II Annotated Anodyne O=C(COc1ccc(Br)cc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587650763 II Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650883 II Annotated Anodyne Cc1nc(-n2ncc3ccc(Cl)cc3c2=O)c(Br)cc1Br ZINC000587650948 II Annotated Anodyne O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650950 II Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c(C)c1Cl ZINC000587651102 II Annotated Anodyne O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651111 II Annotated Anodyne C=C1C=C(C(=O)n2ncc3ccc(Cl)cc3c2=O)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587651163 II Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000587651297 II Annotated Anodyne CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3ccc(S(C)(=O)=O)cc23)CC1 ZINC000587651436 II Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)c(C)n1 ZINC000587651453 II Annotated Anodyne O=C(COc1ccc(Cl)cc1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587651509 II Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(C)c1Cl ZINC000587651561 II Annotated Anodyne O=C(c1ccc(COCC(F)(F)C(F)F)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651796 II Annotated Anodyne O=C(c1cccc(COCC(F)(F)C(F)F)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652139 II Annotated Anodyne CCn1ncc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1C ZINC000587652258 II Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c3c(C)nn(C)c3n2)cc1 ZINC000587652777 II Annotated Anodyne Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c([N+](=O)[O-])c1 ZINC000587652801 II Annotated Bother CCn1cc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c3ccccc3n2)cn1 ZINC000587653145 II Annotated Anodyne Cn1cc(Br)cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653157 II Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)nn(-c3ccccc3)c2n1 ZINC000587653160 II Annotated Anodyne O=C(c1ccnc(Br)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653161 II Annotated Anodyne O=C(c1scc(Br)c1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587653314 II Annotated Anodyne Nc1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587653354 II Annotated Anodyne CC(C)(C)c1ccc(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)cc1 ZINC000587653506 II Annotated Anodyne O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653532 II Annotated Bother Cc1cc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)ccc1[N+](=O)[O-] ZINC000587653630 II Annotated Bother CCn1ncc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c3ccccc3n2)c1C ZINC000587653637 II Annotated Anodyne O=C(c1cc(Br)c(Br)s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653810 II Annotated Anodyne Cc1ccc(Nc2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)s2)cc1 ZINC000587653826 II Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Cl ZINC000587653828 II Annotated Anodyne O=C(c1cc(Br)co1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653882 II Annotated Anodyne O=C([C@H]1Cc2ccccc2CN1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654086 II Annotated Anodyne O=C([C@@H]1Cc2ccccc2CN1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654087 II Annotated Anodyne Cc1cc(C)nc(SCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)n1 ZINC000587654551 II Annotated Anodyne O=C(c1ncccc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654578 II Annotated Anodyne O=C(c1cc(Br)c[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654610 II Annotated Anodyne O=C(c1cncc(Br)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654659 II Annotated Anodyne O=C(c1ccc(Br)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654735 II Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C(F)(F)F ZINC000587655329 II Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655396 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000587655431 II Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Cl)cn1 ZINC000587655453 II Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Cl)cn1 ZINC000587655454 II Annotated Anodyne COC(=O)c1cnc(Cl)cc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655456 II Annotated Anodyne O=C(c1cnccc1C(F)(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655473 II Annotated Anodyne O=C(COc1cc(F)ccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655474 II Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1ccc(C(F)(F)F)n1 ZINC000587655532 II Annotated Anodyne C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1ccc(C(F)(F)F)n1 ZINC000587655533 II Annotated Anodyne CCn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655567 II Annotated Anodyne C[C@H](Cn1cc(Cl)cn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655568 II Annotated Anodyne C[C@@H](Cn1cc(Cl)cn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655569 II Annotated Anodyne Cc1cc(C(F)(F)F)nn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655579 II Annotated Anodyne CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 ZINC000587655623 II Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)NCc1ccccc1 ZINC000587655679 II Annotated Anodyne O=C(CNc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655702 II Annotated Anodyne O=C(c1ccc(C(F)(F)F)nc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655705 II Annotated Anodyne Cc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C ZINC000587655722 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCc1ccc(F)cc1 ZINC000587655725 II Annotated Anodyne Cc1nc2ccccc2n1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655756 II Annotated Anodyne COc1cc(C)ccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655813 II Annotated Anodyne O=C(c1cncn1-c1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655816 II Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)Nc1ccccc1 ZINC000587655832 II Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587655871 II Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc(-c2ccccn2)n1 ZINC000587655911 II Annotated Anodyne C[C@@H](CN1CCCCCC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655923 II Annotated Anodyne C[C@H](CN1CCCCCC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655927 II Annotated Anodyne CC1CCN(C[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587655970 II Annotated Anodyne CC1CCN(C[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587655971 II Annotated Anodyne COc1ccc(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(OC)c1 ZINC000587655976 II Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655984 II Annotated Anodyne Cc1cc(C(F)F)nn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656025 II Annotated Anodyne O=C(COc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656031 II Annotated Anodyne CN(C)C(=O)c1cc(F)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(F)c1 ZINC000587656059 II Annotated Anodyne O=C([C@H]1CCN1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656152 II Annotated Anodyne O=C([C@@H]1CCN1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656154 II Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000587656184 II Annotated Bother CCn1cc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c(C)n1 ZINC000587656310 II Annotated Anodyne Cn1c(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2ccccc21 ZINC000587656318 II Annotated Anodyne O=C(c1cn2cc(Cl)ccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656351 II Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Cl ZINC000587656374 II Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Cl ZINC000587656375 II Annotated Anodyne CC(=O)N/C(=C\c1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656396 II Annotated Anodyne CC(=O)N/C(=C/c1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656398 II Annotated Anodyne CC(C)(C)OC(=O)NCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656436 II Annotated Anodyne COc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656497 II Annotated Anodyne COc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656498 II Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Br)nc1Cl ZINC000587656571 II Annotated Anodyne O=C(c1ccc(Cn2cc(Cl)cn2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656591 II Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1c1ccccc1 ZINC000587656714 II Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CN1c1ccccc1 ZINC000587656716 II Annotated Anodyne O=C(c1cncn1-c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656748 II Annotated Anodyne CCOc1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656847 II Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc(Br)cn1 ZINC000587656916 II Annotated Anodyne C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc(Br)cn1 ZINC000587656917 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(O)cc(-c2ccccc2)n1 ZINC000587657010 II Annotated Anodyne O=C(c1cnn(-c2ccccc2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657059 II Annotated Anodyne O=C(Nc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1)C1CC1 ZINC000587657124 II Annotated Anodyne COc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657310 II Annotated Anodyne COc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657312 II Annotated Anodyne COc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587657320 II Annotated Anodyne COc1cccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587657321 II Annotated Anodyne COc1cccc(-c2cnnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587657343 II Annotated Anodyne O=C(CN1CCCc2ccccc21)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657403 II Annotated Anodyne NC(=O)c1nc(-c2ccccc2)oc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657421 II Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc([N+](=O)[O-])cc1Br ZINC000587657494 II Annotated Bother O=C(c1ccc(-n2cncn2)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657568 II Annotated Anodyne Cc1cc(C)nc(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657702 II Annotated Anodyne COc1ccc(CNC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657717 II Annotated Anodyne Cc1cc(C(F)(F)F)nn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657872 II Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C(F)(F)F ZINC000587657949 II Annotated Anodyne CCn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658115 II Annotated Anodyne O=C(c1cncn1-c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658126 II Annotated Anodyne Cc1cc(C(F)(F)F)nn1CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658174 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccccc1[N+](=O)[O-] ZINC000587658241 II Annotated Bother CC(C)(C)OC(=O)NCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658281 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)O)cc1Cl ZINC000587658379 II Annotated Anodyne O=C(c1cc(-c2ccccc2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658380 II Annotated Anodyne O=C(CSC(=S)N1CCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658382 II Annotated Anodyne Cc1cccc2c1[nH]c1nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc12 ZINC000587658396 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc2c(c1)OCO2 ZINC000587658470 II Annotated Anodyne O=C(c1cc(-c2cccs2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658500 II Annotated Anodyne CC(=O)N/C(=C\c1ccccc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658551 II Annotated Anodyne CC(=O)N/C(=C/c1ccccc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658552 II Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658572 II Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658601 II Annotated Anodyne C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658602 II Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCCc1cccs1 ZINC000587658782 II Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1ccc(C(F)(F)F)n1 ZINC000587658898 II Annotated Anodyne C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1ccc(C(F)(F)F)n1 ZINC000587658900 II Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1c1ccc(F)cc1 ZINC000587658951 II Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1c1ccc(F)cc1 ZINC000587658952 II Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000587659236 II Annotated Anodyne O=C(Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1)C1CC1 ZINC000587659848 II Annotated Anodyne CC(C)C(=O)Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659858 II Annotated Anodyne O=C(c1cc(-c2ccc(O)cc2)on1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660013 II Annotated Anodyne Cc1ccc(-c2noc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587660025 II Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587660215 II Annotated Bother CC(C)(C)OC(=O)c1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587660240 II Annotated Anodyne CCc1nc2ccccc2n1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660255 II Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COC)c(=O)c3ccccc23)c(O)c1 ZINC000587660352 II Annotated Anodyne CC(=O)Nc1cccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587660375 II Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)cc1 ZINC000587660400 II Annotated Anodyne CN(CCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccccc1 ZINC000587660449 II Annotated Anodyne C[C@H](Nc1nc2ccccc2s1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660825 II Annotated Anodyne C[C@@H](Nc1nc2ccccc2s1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660828 II Annotated Anodyne C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661007 II Annotated Bother C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661009 II Annotated Bother Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587661036 II Annotated Bother Cc1cccc(N2C[C@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)CC2=O)c1 ZINC000587661052 II Annotated Anodyne Cc1cccc(N2C[C@@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)CC2=O)c1 ZINC000587661056 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587661083 II Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587661085 II Annotated Anodyne CC(C)(C)C(=O)Nc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccn1 ZINC000587661316 II Annotated Anodyne Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000587661419 II Annotated Bother CCn1nc(C)c2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(C)nc21 ZINC000587661429 II Annotated Anodyne CCn1cc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)n1 ZINC000587661431 II Annotated Anodyne COc1cccc(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 ZINC000587661466 II Annotated Anodyne Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587661498 II Annotated Bother CCn1cc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)no2)c(C)n1 ZINC000587661582 II Annotated Anodyne COc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587661596 II Annotated Bother C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661611 II Annotated Bother C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661612 II Annotated Bother O=C(CSCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccccc1 ZINC000587661760 II Annotated Anodyne Cc1cc(C)n(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)n1 ZINC000587661930 II Annotated Anodyne O=C(c1ccn(COc2ccccc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661946 II Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCO)c(=O)c3ccccc23)c(O)c1 ZINC000587662208 II Annotated Anodyne Cc1ccc(N2C[C@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)CC2=O)cc1 ZINC000587662250 II Annotated Anodyne Cc1ccc(N2C[C@@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)CC2=O)cc1 ZINC000587662252 II Annotated Anodyne Cc1c([N+](=O)[O-])cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587662323 II Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664290 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccncc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664459 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)c(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664798 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664830 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664851 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664966 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(CCC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665154 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665192 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C4CC4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665455 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665467 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587665507 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665516 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665777 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ncccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665942 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(O)cc(C(C)C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665973 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4c(c3)OCCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587665985 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccnc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666011 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(C(=O)O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666045 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccccc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587666057 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666076 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3c(C)noc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666101 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(C)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587666103 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666140 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666324 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccc4n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666394 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666636 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587666776 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666855 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666941 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667161 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667163 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667175 II Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667208 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667210 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667364 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)ccc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667376 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667452 II Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CCc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667544 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667622 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667700 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667701 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667826 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667840 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667905 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587668010 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668032 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587668033 II Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(O)cc(C(C)C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668347 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ncccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668415 II Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668470 II Annotated Bother CCOc1ccc(-c2nn(-c3cc4c(nn3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587668613 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NC3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587668687 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3csc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668695 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cccn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668711 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cccnc3)c(=O)c3ccccc23)cc1OCC ZINC000587668765 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587668768 II Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)c(CC)c(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668820 II Annotated Anodyne CCOc1ccc(-c2nn(-c3ccncc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668833 II Annotated Bother CCOc1ccc(-c2nn(C(=O)NCc3ccco3)c(=O)c3ccccc23)cc1OCC ZINC000587668837 II Annotated Anodyne CCOc1cc(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)ncn1 ZINC000587668898 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nn3CC)c(=O)c3ccccc23)cc1OCC ZINC000587668937 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587669109 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc(C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669148 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc(C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669150 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3c(C)n[nH]c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669178 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587669225 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(SC)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587669257 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669360 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc(SC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587669371 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669372 II Annotated Anodyne CCCCNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587669463 II Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCC3CCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669653 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn(CC)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669720 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3cc(C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669721 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669739 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](O)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669800 II Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H](C)C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669853 II Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@H](C)C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669854 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3oc(C)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669949 II Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(=O)OC)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669957 II Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669997 II Annotated Bother CCOc1ccc(-c2nn(C(=O)c3scnc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670029 II Annotated Anodyne CCOC(=O)C[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670073 II Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670074 II Annotated Reactive CCOC(=O)C[C@]1([C@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670075 II Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670077 II Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)Cc3nc(C)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587670081 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670227 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670244 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587670282 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670356 II Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587670387 II Annotated Bother CCOC(=O)C[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670452 II Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670454 II Annotated Reactive CCOC(=O)C[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670456 II Annotated Reactive CCOC(=O)C[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670457 II Annotated Reactive CCOc1ccc(-c2nn(C(=O)Cc3ccc(O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670674 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3scnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670721 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccncc3)c(=O)c3ccccc23)cc1OCC ZINC000587670722 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(SC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587670723 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3c(C)noc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670727 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(F)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670787 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)n(CC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670866 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3ccc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670878 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670967 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670968 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccncc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671164 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3ccc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671171 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3ccc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671174 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587671230 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCC3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671259 II Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671268 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(C4CC4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671343 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587671424 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H](C)C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671435 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@H](C)C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671436 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587671458 II Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587671545 II Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc(SC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671601 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](O)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671662 II Annotated Anodyne Cc1nc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587671702 II Annotated Reactive Cc1nc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587671704 II Annotated Reactive Cc1nc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587671706 II Annotated Reactive Cc1nc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587671707 II Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccccc3CO)c(=O)c3ccccc23)cc1OCC ZINC000587671850 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2O)N1 ZINC000587671990 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2O)N1 ZINC000587672001 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2O)N1 ZINC000587672002 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2O)N1 ZINC000587672003 II Annotated Reactive CCOC(=O)C1([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587672005 II Annotated Reactive CCOC(=O)C1([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587672009 II Annotated Reactive CCOC(=O)C1([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587672010 II Annotated Reactive CCOC(=O)C1([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587672011 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C(CBr)(CBr)N1 ZINC000587672072 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2C(CBr)(CBr)N1 ZINC000587672076 II Annotated Reactive CCOc1ccc(-c2nn(C(=S)NCc3ccco3)c(=O)c3ccccc23)cc1OCC ZINC000587672116 II Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(SC)ncn3)c(=O)c3ccccc23)cc1OCC ZINC000587672266 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)ccc3N)c(=O)c3ccccc23)cc1OCC ZINC000587672336 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3N)c(=O)c3ccccc23)cc1OCC ZINC000587672372 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587672503 II Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN(CC)CC)c(=O)c3ccccc23)cc1OCC ZINC000587672684 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2O)N1 ZINC000587672688 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2O)N1 ZINC000587672694 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2O)N1 ZINC000587672696 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2O)N1 ZINC000587672698 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N)cc2)N1 ZINC000587672857 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N)cc2)N1 ZINC000587672858 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N)cc2)N1 ZINC000587672859 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N)cc2)N1 ZINC000587672860 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2)N1 ZINC000587673025 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2)N1 ZINC000587673027 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2)N1 ZINC000587673029 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2)N1 ZINC000587673031 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2)N1 ZINC000587673131 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2)N1 ZINC000587673132 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2)N1 ZINC000587673133 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2)N1 ZINC000587673134 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673185 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673186 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673187 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673188 II Annotated Reactive COc1ccnc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587673189 II Annotated Reactive COc1ccnc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587673190 II Annotated Reactive COc1ccnc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587673191 II Annotated Reactive COc1ccnc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587673192 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(O)c2)N1 ZINC000587673423 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(O)c2)N1 ZINC000587673424 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(O)c2)N1 ZINC000587673425 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(O)c2)N1 ZINC000587673426 II Annotated Reactive Cc1nc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587673489 II Annotated Reactive Cc1nc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587673490 II Annotated Reactive Cc1nc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587673491 II Annotated Reactive Cc1nc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587673492 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(O)c2)N1 ZINC000587673580 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(O)c2)N1 ZINC000587673582 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(O)c2)N1 ZINC000587673584 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(O)c2)N1 ZINC000587673586 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673801 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673802 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673803 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(O)ccc2O)N1 ZINC000587673804 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C(CBr)(CBr)N1 ZINC000587673863 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C(CBr)(CBr)N1 ZINC000587673864 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2O)N1 ZINC000587673913 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2O)N1 ZINC000587673914 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2O)N1 ZINC000587673915 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2O)N1 ZINC000587673916 II Annotated Reactive COc1ccnc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674046 II Annotated Reactive COc1ccnc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674048 II Annotated Reactive COc1ccnc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674049 II Annotated Reactive COc1ccnc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674050 II Annotated Reactive CCOC(=O)C1([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587674167 II Annotated Reactive CCOC(=O)C1([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587674168 II Annotated Reactive CCOC(=O)C1([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587674169 II Annotated Reactive CCOC(=O)C1([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587674170 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N)cc2)N1 ZINC000587674577 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N)cc2)N1 ZINC000587674578 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N)cc2)N1 ZINC000587674579 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N)cc2)N1 ZINC000587674580 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2O)N1 ZINC000587674683 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2O)N1 ZINC000587674684 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2O)N1 ZINC000587674685 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2O)N1 ZINC000587674686 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)cc2O)N1 ZINC000587675467 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)cc2O)N1 ZINC000587675468 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)cc2O)N1 ZINC000587675469 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)cc2O)N1 ZINC000587675470 II Annotated Clean CCn1ncc(Br)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675610 II Annotated Anodyne CCn1ncc(Br)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675611 II Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675612 II Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675613 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587675709 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587675710 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587675711 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587675712 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccccc2Br)N1 ZINC000587676366 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccccc2Br)N1 ZINC000587676367 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccccc2Br)N1 ZINC000587676368 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccccc2Br)N1 ZINC000587676369 II Annotated Mild COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587677191 II Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587677197 II Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587677198 II Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587677200 II Annotated Anodyne COc1ccc(Br)nc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677507 II Annotated Anodyne COc1ccc(Br)nc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677509 II Annotated Anodyne COc1ccc(Br)nc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677511 II Annotated Anodyne COc1ccc(Br)nc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677512 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccc(Br)cc2)N1 ZINC000587677570 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccc(Br)cc2)N1 ZINC000587677572 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccc(Br)cc2)N1 ZINC000587677574 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccc(Br)cc2)N1 ZINC000587677576 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(Br)cc2O)N1 ZINC000587677649 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(Br)cc2O)N1 ZINC000587677652 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(Br)cc2O)N1 ZINC000587677654 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(Br)cc2O)N1 ZINC000587677656 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2O)N1 ZINC000587677657 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2O)N1 ZINC000587677659 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2O)N1 ZINC000587677662 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2O)N1 ZINC000587677665 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587677851 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587677864 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587677866 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587677867 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1Br ZINC000587677908 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1Br ZINC000587677909 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1Br ZINC000587677910 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1Br ZINC000587677911 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ncc2O)N1 ZINC000587678000 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ncc2O)N1 ZINC000587678001 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ncc2O)N1 ZINC000587678002 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ncc2O)N1 ZINC000587678003 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587678008 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587678009 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587678010 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587678011 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2cccc(Br)c2)N1 ZINC000587678135 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2cccc(Br)c2)N1 ZINC000587678137 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2cccc(Br)c2)N1 ZINC000587678138 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2cccc(Br)c2)N1 ZINC000587678140 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678188 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678191 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678193 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678194 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678196 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678200 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678202 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678203 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587678292 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587678293 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587678295 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587678298 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cn1 ZINC000587678329 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cn1 ZINC000587678331 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cn1 ZINC000587678333 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cn1 ZINC000587678335 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587678448 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587678449 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587678450 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587678451 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 ZINC000587678468 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 ZINC000587678469 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 ZINC000587678470 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 ZINC000587678471 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678522 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678524 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678526 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2Br)N1 ZINC000587678528 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)cc2O)N1 ZINC000587678564 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)cc2O)N1 ZINC000587678565 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)cc2O)N1 ZINC000587678566 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)cc2O)N1 ZINC000587678567 II Annotated Clean COc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587678612 II Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587678613 II Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587678614 II Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587678615 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587678659 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587678662 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587678664 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587678666 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678694 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678695 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678697 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2N(C)C)N1 ZINC000587678699 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cncc(Br)c2)N1 ZINC000587678903 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cncc(Br)c2)N1 ZINC000587678919 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cncc(Br)c2)N1 ZINC000587678922 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cncc(Br)c2)N1 ZINC000587678925 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587678957 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587678961 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587678963 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587678965 II Annotated Anodyne CCn1cc(Br)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587679195 II Annotated Anodyne CCn1cc(Br)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587679198 II Annotated Anodyne CCn1cc(Br)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587679200 II Annotated Anodyne CCn1cc(Br)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587679204 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2O)N1 ZINC000587679244 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2O)N1 ZINC000587679248 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2O)N1 ZINC000587679252 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2O)N1 ZINC000587679253 II Annotated Clean COc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccnc1Br ZINC000587679436 II Annotated Anodyne COc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccnc1Br ZINC000587679440 II Annotated Anodyne COc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccnc1Br ZINC000587679444 II Annotated Anodyne COc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccnc1Br ZINC000587679449 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Br)cc2)N1 ZINC000587679509 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Br)cc2)N1 ZINC000587679515 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Br)cc2)N1 ZINC000587679518 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Br)cc2)N1 ZINC000587679520 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679530 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679567 II Annotated Anodyne COc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679568 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679569 II Annotated Anodyne COc1cc(Br)cnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679571 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679572 II Annotated Anodyne COc1cc(Br)cnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679574 II Annotated Anodyne COc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679576 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3nc(Br)ccc32)N1 ZINC000587679583 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3nc(Br)ccc32)N1 ZINC000587679589 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587679655 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587679658 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587679660 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587679662 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3nc(Br)ccc32)N1 ZINC000587679727 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3nc(Br)ccc32)N1 ZINC000587679729 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679731 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679732 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679734 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cnc(Br)cn23)N1 ZINC000587679737 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587679753 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587679756 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587679759 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(Br)c2)N1 ZINC000587679761 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679860 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679862 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679863 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679865 II Annotated Anodyne COc1ccc(Br)nc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679903 II Annotated Anodyne COc1ccc(Br)nc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679904 II Annotated Anodyne COc1ccc(Br)nc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679905 II Annotated Anodyne COc1ccc(Br)nc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679906 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587679937 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587679940 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587679943 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000587679945 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(Br)cc2O)N1 ZINC000587680124 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(Br)cc2O)N1 ZINC000587680125 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(Br)cc2O)N1 ZINC000587680126 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(Br)cc2O)N1 ZINC000587680127 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2Br ZINC000587680301 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2Br ZINC000587680304 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2Br ZINC000587680305 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2Br ZINC000587680306 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccccc2Br)N1 ZINC000587680668 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccccc2Br)N1 ZINC000587680669 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccccc2Br)N1 ZINC000587680670 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccccc2Br)N1 ZINC000587680671 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(O)c2Br)N1 ZINC000587680923 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(O)c2Br)N1 ZINC000587680924 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(O)c2Br)N1 ZINC000587680925 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(O)c2Br)N1 ZINC000587680926 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3nc(Br)ccc32)N1 ZINC000587681051 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3nc(Br)ccc32)N1 ZINC000587681055 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3nc(Br)ccc32)N1 ZINC000587681060 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3nc(Br)ccc32)N1 ZINC000587681063 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587681269 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587681270 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587681272 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cc(C(=O)O)n2C)N1 ZINC000587681273 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587681728 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587681729 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587681730 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587681731 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(O)c2Br)N1 ZINC000587681892 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(O)c2Br)N1 ZINC000587681893 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(O)c2Br)N1 ZINC000587681895 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(O)c2Br)N1 ZINC000587681897 II Annotated Clean CCn1ncc(Br)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682011 II Annotated Anodyne CCn1ncc(Br)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682014 II Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682017 II Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682020 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587682021 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587682024 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587682027 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 ZINC000587682030 II Annotated Reactive COc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccnc1Br ZINC000587682099 II Annotated Anodyne COc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccnc1Br ZINC000587682100 II Annotated Anodyne COc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccnc1Br ZINC000587682102 II Annotated Anodyne COc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccnc1Br ZINC000587682104 II Annotated Anodyne COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587682156 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587682157 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587682158 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587682159 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682546 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682549 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682551 II Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682553 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2cccc(Br)c2)N1 ZINC000587682777 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2cccc(Br)c2)N1 ZINC000587682779 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2cccc(Br)c2)N1 ZINC000587682780 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2cccc(Br)c2)N1 ZINC000587682782 II Annotated Mild CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682892 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682894 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682896 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682898 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Br)cc2)N1 ZINC000587683094 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Br)cc2)N1 ZINC000587683095 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1Br ZINC000587683123 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1Br ZINC000587683125 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1Br ZINC000587683128 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1Br ZINC000587683131 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587683227 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587683238 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587683241 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587683244 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2Br ZINC000587683273 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2Br ZINC000587683277 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2Br ZINC000587683281 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2Br ZINC000587683284 II Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cn1 ZINC000587683513 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cn1 ZINC000587683514 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cn1 ZINC000587683516 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cn1 ZINC000587683518 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587683521 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587683523 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587683525 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587683527 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Br)cc2)N1 ZINC000587683541 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Br)cc2)N1 ZINC000587683542 II Annotated Anodyne CCn1cc(Br)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587683552 II Annotated Anodyne CCn1cc(Br)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587683553 II Annotated Anodyne CCn1cc(Br)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587683554 II Annotated Anodyne CCn1cc(Br)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587683555 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587683616 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587683623 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587683625 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587683627 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587683753 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587683760 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587683764 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587683767 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587683925 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587683926 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587683927 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000587683929 II Annotated Anodyne Cc1cccc(-n2cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 ZINC000587683948 II Annotated Reactive Cc1cccc(-n2cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 ZINC000587683957 II Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 ZINC000587683959 II Annotated Reactive Cc1cccc(-n2cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 ZINC000587683961 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587683989 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587683990 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587683991 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587683992 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587684092 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587684093 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587684094 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587684095 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587684153 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587684154 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587684155 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(N)c2O)N1 ZINC000587684157 II Annotated Clean COc1ncc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684216 II Annotated Anodyne COc1ncc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684218 II Annotated Anodyne COc1ncc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684220 II Annotated Anodyne COc1ncc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684221 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684736 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587684737 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587684738 II Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684739 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587684776 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587684777 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587684778 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587684779 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cncc(Br)c2)N1 ZINC000587684824 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cncc(Br)c2)N1 ZINC000587684825 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cncc(Br)c2)N1 ZINC000587684826 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cncc(Br)c2)N1 ZINC000587684827 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587684872 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587684873 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587684874 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587684876 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587685246 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587685247 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587685248 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587685249 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587685250 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587685251 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587685252 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587685253 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587685407 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587685410 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587685411 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 ZINC000587685413 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccc(Br)cc2)N1 ZINC000587685610 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccc(Br)cc2)N1 ZINC000587685612 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccc(Br)cc2)N1 ZINC000587685614 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccc(Br)cc2)N1 ZINC000587685616 II Annotated Mild CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685694 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685697 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685699 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685702 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587685986 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587685988 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587685990 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587685991 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 ZINC000587686155 II Annotated Reactive C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686161 II Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686165 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587686166 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 ZINC000587686167 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587686170 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587686175 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 ZINC000587686179 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686181 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686185 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686188 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686192 II Annotated Anodyne Cc1cccc(-n2cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 ZINC000587686554 II Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 ZINC000587686557 II Annotated Reactive Cc1cccc(-n2cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 ZINC000587686559 II Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 ZINC000587686561 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587686662 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587686664 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587686665 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587686667 II Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587686684 II Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587686686 II Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587686688 II Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587686690 II Annotated Reactive COc1cc(Br)cnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686826 II Annotated Anodyne COc1cc(Br)cnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686828 II Annotated Anodyne COc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686830 II Annotated Anodyne COc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686832 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587687057 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587687058 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587687059 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 ZINC000587687060 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ncc2O)N1 ZINC000587687146 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ncc2O)N1 ZINC000587687147 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ncc2O)N1 ZINC000587687148 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ncc2O)N1 ZINC000587687149 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587687162 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587687163 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587687164 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(Br)nc23)N1 ZINC000587687165 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 ZINC000587687199 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 ZINC000587687200 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 ZINC000587687202 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 ZINC000587687204 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587687208 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587687210 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587687212 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587687214 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587687226 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587687228 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587687230 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 ZINC000587687232 II Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687282 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587687284 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587687285 II Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687287 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587687304 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587687305 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587687306 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 ZINC000587687307 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587687321 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587687323 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587687325 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 ZINC000587687327 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587687615 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587687617 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587687619 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1 ZINC000587687621 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587687709 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587687710 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587687711 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cccc12 ZINC000587687712 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587688232 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587688233 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587688237 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000587688240 II Annotated Anodyne COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688341 II Annotated Reactive COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688342 II Annotated Reactive COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688344 II Annotated Reactive COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688345 II Annotated Reactive COc1ncc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688498 II Annotated Anodyne COc1ncc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688499 II Annotated Anodyne COc1ncc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688500 II Annotated Anodyne COc1ncc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688501 II Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587688583 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587688586 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587688588 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587688590 II Annotated Reactive COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688641 II Annotated Reactive COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688642 II Annotated Reactive COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688643 II Annotated Reactive COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688644 II Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587688719 II Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587688720 II Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587688721 II Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587688722 II Annotated Reactive COC(=O)c1cccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688771 II Annotated Reactive COC(=O)c1cccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688772 II Annotated Reactive COC(=O)c1cccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688773 II Annotated Reactive COC(=O)c1cccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688774 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 ZINC000587689794 II Annotated Reactive C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689795 II Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689796 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 ZINC000587689797 II Annotated Reactive COC(=O)c1cccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689955 II Annotated Reactive COC(=O)c1cccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689956 II Annotated Reactive COC(=O)c1cccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689957 II Annotated Reactive COC(=O)c1cccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689958 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587690170 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587690171 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587690172 II Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587690173 II Annotated Reactive COc1ccc([C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691478 II Annotated Anodyne COc1ccc([C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691479 II Annotated Anodyne COc1ccc([C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691480 II Annotated Anodyne COc1ccc([C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691481 II Annotated Anodyne COc1ccc([C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693382 II Annotated Anodyne COc1ccc([C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693385 II Annotated Anodyne COc1ccc([C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693389 II Annotated Anodyne COc1ccc([C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693392 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587693828 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587693859 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587693863 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587693866 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587697065 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587697066 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587697067 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587697068 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587697170 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587697172 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587697175 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587697177 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587698228 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587698231 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587698235 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587698239 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698251 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698254 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698255 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698256 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587699608 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587699613 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587699616 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)N1 ZINC000587699622 II Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700331 II Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700333 II Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700334 II Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700335 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700439 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700448 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700451 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700453 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587701055 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587701057 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587701059 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587701060 II Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587702128 II Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587702130 II Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587702132 II Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587702134 II Annotated Anodyne CC(=O)C[C@]1(C(F)(F)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702137 II Annotated Anodyne CC(=O)C[C@@]1(C(F)(F)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702143 II Annotated Anodyne CC(=O)C[C@]1(C(F)(F)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702145 II Annotated Anodyne CC(=O)C[C@@]1(C(F)(F)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702146 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587702411 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587702414 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587702418 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587702422 II Annotated Anodyne CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702425 II Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702432 II Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702435 II Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702437 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587702441 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587702448 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587702451 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587702455 II Annotated Mild CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587702646 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587702648 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587702649 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587702650 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703817 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703819 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703820 II Annotated Anodyne Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703821 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 ZINC000587703847 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 ZINC000587703859 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 ZINC000587703860 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 ZINC000587703861 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703941 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703943 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703944 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703945 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(Cl)nn3)CC2)N1 ZINC000587704550 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(Cl)nn3)CC2)N1 ZINC000587704559 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 ZINC000587704605 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 ZINC000587704606 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 ZINC000587704607 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 ZINC000587704608 II Annotated Reactive Cc1c(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704670 II Annotated Anodyne Cc1c(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704672 II Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704674 II Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587704676 II Annotated Anodyne CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704741 II Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704742 II Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704743 II Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704744 II Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704992 II Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704994 II Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704996 II Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704997 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587705011 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587705013 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587705015 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587705016 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(C#N)=C\N(C)C)(C(F)(F)F)N1 ZINC000587705026 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(C#N)=C/N(C)C)(C(F)(F)F)N1 ZINC000587705028 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(C#N)=C/N(C)C)(C(F)(F)F)N1 ZINC000587705030 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(C#N)=C\N(C)C)(C(F)(F)F)N1 ZINC000587705032 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587705707 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587705708 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587705709 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587705710 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587705832 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587705834 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587705836 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](F)C(=O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587705837 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587705874 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587705876 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587705878 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587705881 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587706127 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587706132 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587706133 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)Br)N1 ZINC000587706137 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587706223 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587706224 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587706226 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587706227 II Annotated Reactive Cc1c(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587706234 II Annotated Anodyne Cc1c(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587706236 II Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587706237 II Annotated Anodyne Cc1c(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587706239 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587706252 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587706253 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587706254 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 ZINC000587706256 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587706485 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587706486 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587706487 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccnc2)N1 ZINC000587706488 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587706536 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587706538 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587706540 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587706542 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707044 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707045 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707046 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707047 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587707272 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587707274 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587707276 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccncc2)N1 ZINC000587707278 II Annotated Anodyne CC(=O)C[C@]1(C(F)(F)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707490 II Annotated Anodyne CC(=O)C[C@@]1(C(F)(F)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707491 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587707580 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587707581 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587707582 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587707583 II Annotated Anodyne CC(=O)C[C@]1(C(F)(F)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707663 II Annotated Anodyne CC(=O)C[C@@]1(C(F)(F)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707664 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707807 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707808 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707809 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccn2)N1 ZINC000587707810 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(C#N)=C\N(C)C)(C(F)(F)F)N1 ZINC000587707821 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(C#N)=C/N(C)C)(C(F)(F)F)N1 ZINC000587707823 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(C#N)=C/N(C)C)(C(F)(F)F)N1 ZINC000587707824 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(C#N)=C\N(C)C)(C(F)(F)F)N1 ZINC000587707825 II Annotated Reactive Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587708032 II Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587708033 II Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587708034 II Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587708036 II Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708234 II Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708235 II Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708236 II Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708237 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(Cl)nn3)CC2)N1 ZINC000587708532 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(Cl)nn3)CC2)N1 ZINC000587708533 II Annotated Anodyne COC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708638 II Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708639 II Annotated Anodyne COC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708640 II Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708641 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587709002 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587709003 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587709004 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587709005 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587710055 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587710058 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587710062 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587710066 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587710624 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587710625 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587710626 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnccc2N(C)C)(C(F)(F)F)N1 ZINC000587710627 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710810 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710811 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710812 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710813 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710830 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710831 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710832 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cccc12 ZINC000587710833 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587711512 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587711514 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587711517 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587711519 II Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712113 II Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712115 II Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712117 II Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712119 II Annotated Anodyne COC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712181 II Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712183 II Annotated Anodyne COC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712185 II Annotated Anodyne COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712187 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587712471 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587712472 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587712473 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000587712474 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587713352 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587713354 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587713355 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587713356 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587713430 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587713431 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587713433 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587713436 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587713987 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587713988 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587713989 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587713990 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714159 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714160 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714161 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714162 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587714567 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587714569 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587714571 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587714574 II Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587714686 II Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587714697 II Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587714701 II Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587714703 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714724 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714727 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587714785 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587714787 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587714789 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587714792 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587714815 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587714818 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587714821 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587714824 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715179 II Annotated Anodyne Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715180 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715533 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715540 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715543 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715545 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587716419 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587716423 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587716431 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000587716439 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587716478 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587716480 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587716483 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1c(C(F)(F)F)cccc12 ZINC000587716486 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587716966 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587716969 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587716973 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587716977 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587717018 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587717022 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587717028 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587717031 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587717052 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587717062 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587717071 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000587717077 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587717760 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587717766 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587717770 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587717773 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587718208 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587718273 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587718274 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587718275 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587718805 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587718808 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587718811 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)C(=O)O)c2)N1 ZINC000587718814 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587719101 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587719107 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587719109 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587719112 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587719247 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587719251 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587719266 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587719270 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587719370 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587719372 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587719565 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(OC(F)(F)F)ccc12 ZINC000587719571 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587719787 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587719791 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587719795 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587719799 II Annotated Bother CCn1ncc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587720386 II Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587720388 II Annotated Anodyne CCn1ncc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587720390 II Annotated Anodyne CCn1ncc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587720392 II Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587721329 II Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587721330 II Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587721331 II Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587721332 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721369 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721370 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721371 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721372 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721405 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721406 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721407 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000587721408 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587721535 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587721536 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587721537 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)C(F)F)cc2)N1 ZINC000587721538 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587721864 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587721865 II Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587721866 II Annotated Anodyne CCn1cc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587721867 II Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721872 II Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721873 II Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721874 II Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721875 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587721900 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587721901 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587722202 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587722203 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587722234 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587722237 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587722239 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCN(C)CC3)c2)N1 ZINC000587722240 II Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587722275 II Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587722277 II Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587722279 II Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587722280 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722370 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722371 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722372 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722373 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587722374 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587722375 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587722376 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1 ZINC000587722377 II Annotated Bother CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587722695 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587722698 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587722701 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587722704 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587722936 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587722937 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587722938 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587722939 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587723028 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587723029 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587723030 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)C(=O)O)cc2)N1 ZINC000587723031 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723140 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723141 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723142 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723143 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587723236 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587723237 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587723238 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cc(C(F)(F)F)ccc2=O)N1 ZINC000587723239 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723514 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723515 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723516 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587723517 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587723616 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587723617 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587723618 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2N2CCOCC2)N1 ZINC000587723619 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587723739 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587723740 II Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587723741 II Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587723742 II Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723749 II Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723751 II Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723753 II Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723755 II Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723902 II Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723905 II Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723908 II Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723911 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723980 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723981 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723982 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723983 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724018 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724021 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724023 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724024 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587724033 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587724034 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587724035 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587724036 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587724072 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587724075 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587724077 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(OC(F)(F)F)cccc12 ZINC000587724080 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724276 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724277 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724278 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724279 II Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724376 II Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724377 II Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724378 II Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724379 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724484 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724485 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724486 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)c(F)c2)(C(=O)O)N1 ZINC000587724487 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724652 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724653 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724654 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724655 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724939 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724946 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724947 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724948 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724955 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724956 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724958 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724959 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724991 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724993 II Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724995 II Annotated Anodyne COc1ccc([C@]2(CCN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724997 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587725072 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587725073 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587725074 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587725075 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587725104 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587725105 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587725106 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 ZINC000587725107 II Annotated Clean CCOC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725260 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725261 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725262 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725263 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587725284 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587725285 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587725286 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587725287 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587725308 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587725309 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587725310 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587725311 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725348 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725349 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725450 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725451 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725480 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725481 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725482 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725483 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725684 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725685 II Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725686 II Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725687 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725860 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725861 II Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725862 II Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725863 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587726158 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587726159 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587726160 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 ZINC000587726161 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587726196 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587726197 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587726198 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 ZINC000587726199 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587726566 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587726567 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587726568 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(F)cc2F)N1 ZINC000587726569 II Annotated Anodyne CC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(F)cc2C1 ZINC000587726902 II Annotated Anodyne CC(=O)N1CC[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(F)cc2C1 ZINC000587726906 II Annotated Anodyne CC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(F)cc2C1 ZINC000587726907 II Annotated Anodyne CC(=O)N1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(F)cc2C1 ZINC000587726908 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 ZINC000587727212 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 ZINC000587727218 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 ZINC000587727219 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 ZINC000587727220 II Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727614 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727617 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727620 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727622 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728881 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728883 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728885 II Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728887 II Annotated Bother CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729382 II Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729383 II Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729384 II Annotated Mild CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729385 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(/C=C\C(=O)O)=COc1ccc(F)cc12 ZINC000587729811 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(/C=C/C(=O)O)=COc1ccc(F)cc12 ZINC000587729815 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(/C=C/C(=O)O)=COc1ccc(F)cc12 ZINC000587729817 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(/C=C\C(=O)O)=COc1ccc(F)cc12 ZINC000587729818 II Annotated Anodyne CC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(F)cc2C1 ZINC000587729879 II Annotated Anodyne CC(=O)N1CC[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(F)cc2C1 ZINC000587729882 II Annotated Anodyne CC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(F)cc2C1 ZINC000587729885 II Annotated Anodyne CC(=O)N1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(F)cc2C1 ZINC000587729887 II Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729960 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729961 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729962 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729963 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730004 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730005 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730006 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730007 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 ZINC000587730105 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 ZINC000587730109 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 ZINC000587730112 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 ZINC000587730114 II Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730543 II Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730545 II Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730547 II Annotated Mild CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730549 II Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730636 II Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730637 II Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730639 II Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730641 II Annotated Mild COC(=O)[C@H](CCC#N)[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731072 II Annotated Mild COC(=O)[C@H](CCC#N)[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731094 II Annotated Mild COC(=O)[C@H](CCC#N)[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731095 II Annotated Mild COC(=O)[C@H](CCC#N)[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731097 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(I)c2)N1 ZINC000587731113 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(I)c2)N1 ZINC000587731131 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(I)c2)N1 ZINC000587731133 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(I)c2)N1 ZINC000587731134 II Annotated Anodyne CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731139 II Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731140 II Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731141 II Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731142 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c[nH]2)N1 ZINC000587731209 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c[nH]2)N1 ZINC000587731215 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c[nH]2)N1 ZINC000587731217 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c[nH]2)N1 ZINC000587731218 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731318 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731320 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731321 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731323 II Annotated Anodyne CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731990 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731994 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731996 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731998 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733045 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733046 II Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733047 II Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733048 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(I)c2)N1 ZINC000587733652 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(I)c2)N1 ZINC000587733654 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(I)c2)N1 ZINC000587733655 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(I)c2)N1 ZINC000587733657 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c[nH]2)N1 ZINC000587733694 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c[nH]2)N1 ZINC000587733697 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c[nH]2)N1 ZINC000587733698 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c[nH]2)N1 ZINC000587733700 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733732 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733738 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733744 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733747 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(/C=C\C(=O)O)=COc1ccc(F)cc12 ZINC000587734034 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(/C=C/C(=O)O)=COc1ccc(F)cc12 ZINC000587734036 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(/C=C\C(=O)O)=COc1ccc(F)cc12 ZINC000587734038 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(/C=C/C(=O)O)=COc1ccc(F)cc12 ZINC000587734040 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)o2)N1 ZINC000587734239 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)o2)N1 ZINC000587734258 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)o2)N1 ZINC000587734260 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)o2)N1 ZINC000587734262 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587734367 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587734372 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587734373 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587734374 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587734563 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587734566 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587734568 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587734570 II Annotated Anodyne CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734628 II Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734629 II Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734630 II Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734631 II Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734755 II Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734757 II Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734759 II Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734761 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)o2)N1 ZINC000587734996 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)o2)N1 ZINC000587734997 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)o2)N1 ZINC000587734999 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)o2)N1 ZINC000587735001 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc(F)cc3)CC2)N1 ZINC000587735095 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc(F)cc3)CC2)N1 ZINC000587735102 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735143 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735144 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735145 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735146 II Annotated Clean CCOC(=O)[C@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735147 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735148 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735149 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735150 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735163 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735164 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735165 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 ZINC000587735166 II Annotated Clean COC(=O)[C@H](CCC#N)[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735695 II Annotated Mild COC(=O)[C@H](CCC#N)[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735696 II Annotated Mild COC(=O)[C@H](CCC#N)[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735697 II Annotated Mild COC(=O)[C@H](CCC#N)[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735698 II Annotated Mild Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(F)cc1 ZINC000587735815 II Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(F)cc1 ZINC000587735867 II Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(F)cc1 ZINC000587735869 II Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(F)cc1 ZINC000587735871 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736143 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736144 II Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736145 II Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736146 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587736592 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587736595 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587736597 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(F)cc3)nn2)N1 ZINC000587736601 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587736955 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587736956 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587736957 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1 ZINC000587736958 II Annotated Bother CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cccc(F)c21 ZINC000587737139 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cccc(F)c21 ZINC000587737143 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cccc(F)c21 ZINC000587737146 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cccc(F)c21 ZINC000587737150 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(I)=C/N(C)C)N1 ZINC000587737193 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(I)=C/N(C)C)N1 ZINC000587737200 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(I)=C/N(C)C)N1 ZINC000587737201 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(I)=C/N(C)C)N1 ZINC000587737202 II Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(F)cc1 ZINC000587737305 II Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(F)cc1 ZINC000587737307 II Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(F)cc1 ZINC000587737309 II Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(F)cc1 ZINC000587737311 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587737435 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587737438 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587737442 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587737445 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc(F)cc3)CC2)N1 ZINC000587737800 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc(F)cc3)CC2)N1 ZINC000587737801 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2F)N1 ZINC000587737894 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2F)N1 ZINC000587737895 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2F)N1 ZINC000587737896 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2F)N1 ZINC000587737897 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587738000 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587738001 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587738002 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587738003 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(I)=C/N(C)C)N1 ZINC000587738380 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(I)=C/N(C)C)N1 ZINC000587738381 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(I)=C/N(C)C)N1 ZINC000587738382 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(I)=C/N(C)C)N1 ZINC000587738383 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738482 II Annotated Clean COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738490 II Annotated Clean COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738492 II Annotated Clean COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738494 II Annotated Clean CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738688 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738695 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738697 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738699 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)([C@@H](C)Oc2cccnc2)N1 ZINC000587738739 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738740 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738741 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)([C@@H](C)Oc2cccnc2)N1 ZINC000587738742 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587738744 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587738745 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587738747 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587738748 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587739038 II Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587739039 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587739040 II Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 ZINC000587739041 II Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587739078 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587739079 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587739080 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587739081 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](N=O)C2 ZINC000587739160 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](N=O)C2 ZINC000587739161 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](N=O)C2 ZINC000587739162 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](N=O)C2 ZINC000587739163 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739293 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739298 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739300 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739302 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587739340 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587739343 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587739344 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587739345 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587739436 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587739437 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587739438 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587739439 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587739450 II Annotated Clean COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587739451 II Annotated Clean COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587739452 II Annotated Clean COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587739453 II Annotated Clean CC(=O)C[C@@]1(c2cccc(NC(C)=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739506 II Annotated Anodyne CC(=O)C[C@]1(c2cccc(NC(C)=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739507 II Annotated Anodyne CC(=O)C[C@@]1(c2cccc(NC(C)=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739508 II Annotated Anodyne CC(=O)C[C@]1(c2cccc(NC(C)=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739509 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739540 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739541 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739542 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739543 II Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739915 II Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739916 II Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739917 II Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739918 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587739961 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587739962 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587739963 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc3c(c2)OCO3)N1 ZINC000587739964 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2NC(=O)OCc2ccccc2)N1 ZINC000587740010 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2NC(=O)OCc2ccccc2)N1 ZINC000587740011 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2NC(=O)OCc2ccccc2)N1 ZINC000587740012 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2NC(=O)OCc2ccccc2)N1 ZINC000587740014 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740107 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740121 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740124 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740126 II Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740258 II Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740260 II Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740261 II Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740263 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587740390 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587740392 II Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587740395 II Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587740396 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740453 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740455 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740456 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740458 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2F)N1 ZINC000587740521 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2F)N1 ZINC000587740522 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2F)N1 ZINC000587740523 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2F)N1 ZINC000587740524 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(NC(=O)OCc3ccccc3)C2)N1 ZINC000587740712 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(NC(=O)OCc3ccccc3)C2)N1 ZINC000587740716 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cccc(F)c21 ZINC000587740981 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cccc(F)c21 ZINC000587740982 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cccc(F)c21 ZINC000587740983 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cccc(F)c21 ZINC000587740984 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587741150 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587741160 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587741161 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587741162 II Annotated Mild CCN(CC)C(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741220 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741223 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741225 II Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741227 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587741386 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587741387 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587741388 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587741389 II Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741441 II Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741442 II Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741443 II Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741444 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587742040 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587742041 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587742043 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587742045 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742093 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)([C@@H](C)Oc2cccnc2)N1 ZINC000587742094 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)([C@@H](C)Oc2cccnc2)N1 ZINC000587742096 II Annotated Anodyne C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742098 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587742218 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587742219 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587742222 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C#N)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587742225 II Annotated Mild CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742264 II Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742265 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742295 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742296 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742297 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742298 II Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742320 II Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742321 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(NC(=O)OCc3ccccc3)C2)N1 ZINC000587742374 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(NC(=O)OCc3ccccc3)C2)N1 ZINC000587742376 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587742459 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587742461 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587742462 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587742463 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587742555 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587742556 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587742557 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587742558 II Annotated Clean CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742742 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742744 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742747 II Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742749 II Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587742868 II Annotated Bother COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587742887 II Annotated Bother COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587742890 II Annotated Bother COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587742892 II Annotated Bother COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](N=O)C2 ZINC000587743187 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](N=O)C2 ZINC000587743188 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](N=O)C2 ZINC000587743189 II Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](N=O)C2 ZINC000587743190 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743480 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743499 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743503 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743507 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743573 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743574 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743575 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743577 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587743676 II Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587743679 II Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587743684 II Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587743687 II Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587743916 II Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587743918 II Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587743919 II Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587743921 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743923 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743925 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743927 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743929 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587743948 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587743949 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587743950 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCC(=O)O)N1 ZINC000587743951 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC ZINC000587744155 II Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC ZINC000587744159 II Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC ZINC000587744162 II Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC ZINC000587744164 II Annotated Bother CC(=O)Nc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744174 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744176 II Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744178 II Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744180 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587744247 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587744250 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587744253 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587744255 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587744468 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587744470 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587744471 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587744473 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587744687 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587744694 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587744697 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587744699 II Annotated Bother COc1ccc(N/C=C(/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[N+](=O)[O-])cc1 ZINC000587745107 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745163 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745165 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745167 II Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745169 II Annotated Anodyne COc1ccc(N/C=C(\[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[N+](=O)[O-])cc1 ZINC000587745364 II Annotated Anodyne COc1ccc(NN=C(C(C)=O)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745369 II Annotated Mild COc1ccc(NN=C(C(C)=O)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745370 II Annotated Mild COc1ccc(NN=C(C(C)=O)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745377 II Annotated Mild COc1ccc(NN=C(C(C)=O)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745378 II Annotated Mild COc1ccc(N/C=C(\[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[N+](=O)[O-])cc1 ZINC000587745380 II Annotated Anodyne COc1ccc(N/C=C(/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[N+](=O)[O-])cc1 ZINC000587745384 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745510 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745512 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745516 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745519 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745962 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745963 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745964 II Annotated Anodyne COC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745965 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCC(=O)O)cc2)N1 ZINC000587746014 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCC(=O)O)cc2)N1 ZINC000587746015 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCC(=O)O)cc2)N1 ZINC000587746016 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCC(=O)O)cc2)N1 ZINC000587746017 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746151 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746152 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746153 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746154 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587746159 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587746160 II Annotated Bother CC(=O)C[C@@]1(c2cccc(NC(C)=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746171 II Annotated Anodyne CC(=O)C[C@]1(c2cccc(NC(C)=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746172 II Annotated Anodyne CC(=O)C[C@@]1(c2cccc(NC(C)=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746173 II Annotated Anodyne CC(=O)C[C@]1(c2cccc(NC(C)=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746174 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587746199 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587746200 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587746201 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587746202 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587746302 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587746304 II Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587746333 II Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587746338 II Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587746340 II Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587746342 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746449 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746451 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746453 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587746455 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587746593 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587746594 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746595 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746596 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC=O)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587746694 II Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCC=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746720 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC=O)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587746722 II Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCC=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746724 II Annotated Mild CCOC(=O)c1c(N)oc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747156 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747158 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747159 II Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747160 II Annotated Anodyne COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747399 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747400 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747402 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747404 II Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747425 II Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747427 II Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747429 II Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747431 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747441 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747443 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747445 II Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747447 II Annotated Bother COc1ccc(NN=C(C(C)=O)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747569 II Annotated Mild COc1ccc(NN=C(C(C)=O)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747570 II Annotated Mild COc1ccc(NN=C(C(C)=O)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747571 II Annotated Mild COc1ccc(NN=C(C(C)=O)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747572 II Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC ZINC000587747882 II Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC ZINC000587747884 II Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC ZINC000587747886 II Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC ZINC000587747888 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587747986 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587747987 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587747988 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587747989 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748211 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748213 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748215 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748217 II Annotated Bother COc1ccc(N/C=C(\[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[N+](=O)[O-])cc1 ZINC000587748304 II Annotated Anodyne COc1ccc(N/C=C(/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[N+](=O)[O-])cc1 ZINC000587748306 II Annotated Anodyne COc1ccc(N/C=C(/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[N+](=O)[O-])cc1 ZINC000587748307 II Annotated Anodyne COc1ccc(N/C=C(\[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[N+](=O)[O-])cc1 ZINC000587748309 II Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748386 II Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748387 II Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748388 II Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748389 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587748590 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587748591 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587748592 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587748593 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587748754 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587748757 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587748759 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 ZINC000587748761 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587748783 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587748784 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587748785 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1 ZINC000587748786 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587748787 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587748791 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587748792 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587748794 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587748894 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587748895 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587748896 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587748897 II Annotated Bother COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587749018 II Annotated Bother COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587749019 II Annotated Bother COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587749020 II Annotated Bother COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587749021 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749091 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749092 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749093 II Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749095 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749134 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749135 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749136 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749138 II Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749169 II Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749171 II Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749172 II Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749173 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587749772 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587749773 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587749774 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587749775 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587749808 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587749809 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587749810 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1 ZINC000587749811 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587750214 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587750216 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587750219 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1 ZINC000587750221 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC=O)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750243 II Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCC=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750244 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC=O)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750245 II Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCC=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750246 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750281 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750282 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750283 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750284 II Annotated Bother C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750444 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750445 II Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750446 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750447 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587750489 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587750491 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587750493 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000587750494 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587750591 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587750596 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587750600 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587750603 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750905 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750907 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750909 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1 ZINC000587750910 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587751222 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587751224 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587751226 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCOc2ccccc2C(N)=O)N1 ZINC000587751228 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587751919 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587751920 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587751921 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587751922 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587752163 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587752164 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587752165 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NCc3ccccc3)nc2)N1 ZINC000587752166 II Annotated Anodyne C#CCNC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752243 II Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752244 II Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752245 II Annotated Mild C#CCNC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752246 II Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1 ZINC000587752354 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1 ZINC000587752357 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1 ZINC000587752359 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1 ZINC000587752361 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587753066 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587753067 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587753068 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587753069 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587753094 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587753095 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587753098 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587753100 II Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753147 II Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753151 II Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753154 II Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753158 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587753227 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587753241 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587753243 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587753245 II Annotated Mild COc1ccnc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C#N ZINC000587753501 II Annotated Mild COc1ccnc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C#N ZINC000587753505 II Annotated Mild COc1ccnc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C#N ZINC000587753507 II Annotated Mild COc1ccnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C#N ZINC000587753509 II Annotated Mild C#CCNC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753577 II Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753580 II Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753583 II Annotated Mild C#CCNC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753586 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587753639 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587753640 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587753642 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587753645 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587753891 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587753892 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587753893 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 ZINC000587753894 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587753999 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587754002 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587754004 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)NCC2CC2)N1 ZINC000587754008 II Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754119 II Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754121 II Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754123 II Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754125 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1 ZINC000587754337 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1 ZINC000587754339 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1 ZINC000587754340 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1 ZINC000587754342 II Annotated Anodyne COC(=O)[C@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754434 II Annotated Anodyne COC(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754441 II Annotated Anodyne COC(=O)[C@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754446 II Annotated Anodyne COC(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754450 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587754538 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587754539 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587754540 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)N1 ZINC000587754541 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587754659 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587754660 II Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587754661 II Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1 ZINC000587754662 II Annotated Bother COC(=O)c1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C ZINC000587754857 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587754858 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587754859 II Annotated Mild COC(=O)c1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C ZINC000587754860 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587754861 II Annotated Mild COC(=O)c1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C ZINC000587754862 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC=O)(CNC(=O)OC(C)(C)C)N1 ZINC000587754863 II Annotated Mild COC(=O)c1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C ZINC000587754864 II Annotated Clean COC(=O)c1cccc2c1c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C ZINC000587755217 II Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C ZINC000587755218 II Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C ZINC000587755219 II Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C ZINC000587755220 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587755257 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587755258 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587755259 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587755260 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755415 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755416 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755418 II Annotated Anodyne COc1ccccc1CNC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755420 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587755633 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587755634 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587755635 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587755636 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587755929 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587755930 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587755931 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587755932 II Annotated Anodyne COc1ccnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C#N ZINC000587756152 II Annotated Mild COc1ccnc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C#N ZINC000587756153 II Annotated Mild COc1ccnc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C#N ZINC000587756155 II Annotated Mild COc1ccnc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C#N ZINC000587756157 II Annotated Mild COC(=O)c1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C ZINC000587756165 II Annotated Clean COC(=O)c1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C ZINC000587756167 II Annotated Clean COC(=O)c1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C ZINC000587756169 II Annotated Clean COC(=O)c1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C ZINC000587756170 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587756371 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587756374 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587756376 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587756378 II Annotated Anodyne COC(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756797 II Annotated Anodyne COC(=O)[C@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756798 II Annotated Anodyne COC(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756799 II Annotated Anodyne COC(=O)[C@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756800 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756834 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756836 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756838 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756840 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757200 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757202 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757204 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757206 II Annotated Anodyne Cc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587757220 II Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587757221 II Annotated Anodyne Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587757222 II Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cncn1 ZINC000587757223 II Annotated Anodyne Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757236 II Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757237 II Annotated Anodyne Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757238 II Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cncn1 ZINC000587757239 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587757296 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587757297 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587757298 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000587757299 II Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 ZINC000587757311 II Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 ZINC000587757313 II Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 ZINC000587757314 II Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 ZINC000587757316 II Annotated Anodyne COC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757499 II Annotated Anodyne COC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757500 II Annotated Anodyne COC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757501 II Annotated Anodyne COC(=O)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757502 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757511 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757512 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757513 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757514 II Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccccc1 ZINC000587757680 II Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccccc1 ZINC000587757681 II Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccccc1 ZINC000587757682 II Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccccc1 ZINC000587757683 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757791 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757795 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757801 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757805 II Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757932 II Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757937 II Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757940 II Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757942 II Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757945 II Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757947 II Annotated Anodyne COc1ccc(CNC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757950 II Annotated Anodyne COc1ccc(CNC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757952 II Annotated Anodyne COC(=O)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758049 II Annotated Anodyne COC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758050 II Annotated Anodyne COC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758051 II Annotated Anodyne COC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758052 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587758078 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587758079 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587758080 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC(N)=O)c3ccccc23)N1 ZINC000587758082 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587758241 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758249 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758250 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587758251 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587758252 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758253 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587758254 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758255 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587758273 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587758275 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587758277 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587758278 II Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758288 II Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758295 II Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758297 II Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758299 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758626 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758629 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758631 II Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758634 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587758819 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587758820 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587758823 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587758824 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587758826 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587758828 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCCCc2ccccc2)N1 ZINC000587758830 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587758833 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758848 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758850 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758853 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nn(-c4ccccc4)nc32)N1 ZINC000587758857 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587759204 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587759218 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587759219 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587759221 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587759423 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587759424 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587759425 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CC(=O)O)c3ccccc23)N1 ZINC000587759426 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587759453 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587759455 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587759456 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587759458 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587759572 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587759573 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587759574 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587759575 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759739 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759745 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759747 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759749 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587759766 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587759769 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587759770 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587759772 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587759795 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587759797 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587759800 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2ccccn2)N1 ZINC000587759802 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587759850 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587759851 II Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759852 II Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759853 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587759858 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587759859 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587759860 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587759861 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587759898 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587759899 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587759900 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587759901 II Annotated Mild COc1ccc([C@@]2(CCn3cncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759958 II Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759959 II Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759960 II Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759961 II Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccccc1 ZINC000587760292 II Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccccc1 ZINC000587760294 II Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccccc1 ZINC000587760295 II Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccccc1 ZINC000587760297 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760319 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760320 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760321 II Annotated Anodyne Cc1nn(C)c(Oc2cccnc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760322 II Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C ZINC000587760382 II Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C ZINC000587760383 II Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C ZINC000587760385 II Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C ZINC000587760387 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587760535 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587760536 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587760537 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587760538 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760879 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760880 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760881 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760882 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587760923 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587760924 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587760925 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3ccnn3C)cc2)N1 ZINC000587760926 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587760943 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587760944 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587760945 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(-n3cccn3)cc2)N1 ZINC000587760946 II Annotated Mild COc1ccc(Cn2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 ZINC000587761143 II Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 ZINC000587761144 II Annotated Anodyne COc1ccc(Cn2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 ZINC000587761145 II Annotated Anodyne COc1ccc(Cn2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 ZINC000587761146 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587761276 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587761277 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587761278 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587761279 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587761345 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587761352 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587761354 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587761356 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587761467 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587761468 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587761469 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3cnn(C)c3)cc2)N1 ZINC000587761470 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761611 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761612 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761613 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761614 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587761659 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587761660 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587761661 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587761662 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587761719 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587761720 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587761721 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587761722 II Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761798 II Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761799 II Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761801 II Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761802 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587761972 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587761973 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587761974 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587761976 II Annotated Mild CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762132 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762136 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762138 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762140 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762260 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762261 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762262 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762263 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587762284 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587762285 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587762286 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587762287 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587762330 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587762331 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587762332 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)N1 ZINC000587762333 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587762360 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587762361 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587762362 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3ccnn3C)c2)N1 ZINC000587762363 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762506 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762507 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762509 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762511 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762536 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762539 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762541 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762543 II Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762672 II Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762673 II Annotated Anodyne COc1ccc([C@@]2(CCn3cncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762674 II Annotated Anodyne COc1ccc([C@]2(CCn3cncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762675 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762676 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762677 II Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1cccnc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762678 II Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762679 II Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762793 II Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762798 II Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762800 II Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762802 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587762992 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587762993 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587762994 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587762995 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587763004 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587763005 II Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763006 II Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763007 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763088 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763089 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763090 II Annotated Anodyne CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763091 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587763558 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587763559 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587763561 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)O)nc2-c2ccccc2)N1 ZINC000587763563 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587764176 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587764192 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587764194 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587764195 II Annotated Clean Cc1nc(N2CCCCC2)ncc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764354 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764355 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764356 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764357 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587764717 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587764718 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587764719 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587764720 II Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2N1CC(=O)O ZINC000587764762 II Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2N1CC(=O)O ZINC000587764766 II Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2N1CC(=O)O ZINC000587764770 II Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2N1CC(=O)O ZINC000587764773 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764945 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764947 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764949 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764951 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587765055 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587765056 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765219 II Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n(C)c2c1 ZINC000587765220 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765222 II Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n(C)c2c1 ZINC000587765224 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765226 II Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765228 II Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n(C)c2c1 ZINC000587765229 II Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n(C)c2c1 ZINC000587765234 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587765259 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587765261 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587765264 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc(C#N)cc2)N1 ZINC000587765265 II Annotated Mild Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587765313 II Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587765315 II Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587765317 II Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587765320 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587765429 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587765433 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587765435 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587765438 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587765457 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587765458 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587765459 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587765463 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765548 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765549 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765550 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765551 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765556 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765557 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765558 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000587765559 II Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cccc12 ZINC000587765640 II Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cccc12 ZINC000587765641 II Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cccc12 ZINC000587765642 II Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cccc12 ZINC000587765643 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587765791 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587765797 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587765799 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587765800 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587765828 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587765830 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587765832 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587765834 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587765904 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587765905 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587765906 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587765907 II Annotated Clean CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2N1CC(=O)O ZINC000587766089 II Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2N1CC(=O)O ZINC000587766090 II Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2N1CC(=O)O ZINC000587766091 II Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2N1CC(=O)O ZINC000587766092 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766146 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766147 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766148 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766150 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766176 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766177 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766179 II Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766180 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766211 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766213 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766216 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587766218 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587766221 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587766225 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587766231 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OC(C)(C)C)C1 ZINC000587766240 II Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766532 II Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766534 II Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766535 II Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766537 II Annotated Anodyne CCN1C(=O)[C@H]([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587766590 II Annotated Anodyne CCN1C(=O)[C@H]([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587766595 II Annotated Anodyne CCN1C(=O)[C@H]([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587766599 II Annotated Anodyne CCN1C(=O)[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587766603 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587766609 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587766615 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587766622 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587766628 II Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587766667 II Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587766670 II Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587766671 II Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587766673 II Annotated Anodyne C[C@H]1CN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)C[C@@H](C)O1 ZINC000587766806 II Annotated Anodyne C[C@H]1CN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)C[C@H](C)O1 ZINC000587766809 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)N1 ZINC000587766812 II Annotated Anodyne C[C@H]1CN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)C[C@@H](C)O1 ZINC000587766814 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587766873 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587766874 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587766979 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587766980 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587766981 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587766982 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587766991 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587766995 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587766998 II Annotated Anodyne CCN1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587766999 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587767001 II Annotated Anodyne CCN1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767002 II Annotated Clean CCN1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767005 II Annotated Clean CCN1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767007 II Annotated Clean COC(=O)c1cc(C=O)n2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cccc12 ZINC000587767319 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587767323 II Annotated Mild COC(=O)c1cc(C=O)n2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cccc12 ZINC000587767324 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587767325 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587767327 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccncc2)N1 ZINC000587767329 II Annotated Mild COC(=O)c1cc(C=O)n2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cccc12 ZINC000587767331 II Annotated Anodyne COC(=O)c1cc(C=O)n2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cccc12 ZINC000587767338 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587767413 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587767414 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587767416 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587767419 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccc(C#N)cc3)CC2)N1 ZINC000587767656 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccc(C#N)cc3)CC2)N1 ZINC000587767660 II Annotated Mild C=CN1CC[C@H]([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587767716 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587767718 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587767719 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587767721 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587767748 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587767750 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587767751 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CN(Cc3ccccc3)CCO2)N1 ZINC000587767752 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587767817 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587767818 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587767820 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587767821 II Annotated Anodyne CCN1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587767895 II Annotated Clean CCN1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587767898 II Annotated Clean CCN1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587767900 II Annotated Clean CCN1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587767905 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587768200 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(C(=O)O)cc3)CC2)N1 ZINC000587768201 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccc(C#N)cc3)CC2)N1 ZINC000587768236 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccc(C#N)cc3)CC2)N1 ZINC000587768237 II Annotated Mild CCN1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768351 II Annotated Anodyne CCN1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768352 II Annotated Anodyne CCN1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768353 II Annotated Anodyne CCN1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768354 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587768472 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587768474 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587768475 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCCC2=O)N1 ZINC000587768477 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587768621 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587768623 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768631 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768632 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768633 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587768634 II Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n2c(C=O)cccc12 ZINC000587768642 II Annotated Anodyne COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n2c(C=O)cccc12 ZINC000587768643 II Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n2c(C=O)cccc12 ZINC000587768645 II Annotated Anodyne COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n2c(C=O)cccc12 ZINC000587768647 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587769072 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587769073 II Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587769189 II Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587769191 II Annotated Anodyne COc1ccc(CN2CC[C@@]3(CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587769193 II Annotated Anodyne COc1ccc(CN2CC[C@]3(CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587769195 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587769251 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587769252 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587769301 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587769306 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587769308 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587769310 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769349 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769352 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769356 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769358 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587769425 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587769430 II Annotated Anodyne CCN1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769660 II Annotated Anodyne CCN1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769661 II Annotated Anodyne CCN1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769662 II Annotated Anodyne CCN1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769663 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769736 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769737 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769738 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587769739 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769828 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769831 II Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769833 II Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769834 II Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769867 II Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769869 II Annotated Anodyne Cc1ccccc1[C@@]1(CN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769873 II Annotated Anodyne Cc1ccccc1[C@]1(CN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769876 II Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769928 II Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769931 II Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769934 II Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769936 II Annotated Anodyne CCN1C(=O)[C@H]([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587770019 II Annotated Anodyne CCN1C(=O)[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587770026 II Annotated Anodyne CCN1C(=O)[C@H]([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587770034 II Annotated Anodyne CCN1C(=O)[C@H]([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587770041 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587770132 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587770133 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587770137 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587770138 II Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(-c2ccccc2)n1C ZINC000587770183 II Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(-c2ccccc2)n1C ZINC000587770184 II Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(-c2ccccc2)n1C ZINC000587770185 II Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(-c2ccccc2)n1C ZINC000587770186 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587770217 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587770218 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587770219 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587770220 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587770237 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587770238 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587770239 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 ZINC000587770240 II Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n2c(C=O)cccc12 ZINC000587770384 II Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n2c(C=O)cccc12 ZINC000587770385 II Annotated Anodyne COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n2c(C=O)cccc12 ZINC000587770387 II Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n2c(C=O)cccc12 ZINC000587770389 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCN3C(=O)OC(C)(C)C)C2)N1 ZINC000587770519 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCN3C(=O)OC(C)(C)C)C2)N1 ZINC000587770529 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587770571 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587770572 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587770574 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(CN3CCOCC3)CCCCC2)N1 ZINC000587770576 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CN2C ZINC000587770631 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CN2C ZINC000587770633 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CN2C ZINC000587770634 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CN2C ZINC000587770637 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587770656 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587770660 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587770663 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587770667 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587770670 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587770673 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587770677 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)N1 ZINC000587770698 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587770701 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587770704 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)N1 ZINC000587770707 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587770710 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587770714 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587770719 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587770721 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587770723 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 ZINC000587770724 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587770857 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587770858 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587770859 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587770860 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587770907 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587770908 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587770909 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587770910 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587771157 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587771160 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771294 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771297 II Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771438 II Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771439 II Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771440 II Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771444 II Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771458 II Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771463 II Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771469 II Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1 ZINC000587771470 II Annotated Anodyne C[C@H]1CN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)C[C@@H](C)O1 ZINC000587771783 II Annotated Anodyne C[C@H]1CN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)C[C@H](C)O1 ZINC000587771784 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)N1 ZINC000587771785 II Annotated Anodyne C[C@H]1CN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)C[C@@H](C)O1 ZINC000587771787 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587771849 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587771850 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587771851 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587771852 II Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n(C)c2c1 ZINC000587772028 II Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n(C)c2c1 ZINC000587772031 II Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n(C)c2c1 ZINC000587772032 II Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n(C)c2c1 ZINC000587772033 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772038 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772039 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772040 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772041 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587772181 II Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587772183 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587772185 II Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587772187 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772214 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772215 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772216 II Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772217 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587772286 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587772287 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587772298 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H](C(=O)O)c3ccccc3)CC2)N1 ZINC000587772300 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772392 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772397 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587772485 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587772489 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587772492 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587772496 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587772564 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772566 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587772568 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772570 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772573 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772576 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587772596 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587772599 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587772603 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587772605 II Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(-c2ccccc2)n1C ZINC000587772793 II Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(-c2ccccc2)n1C ZINC000587772794 II Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(-c2ccccc2)n1C ZINC000587772795 II Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(-c2ccccc2)n1C ZINC000587772796 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772816 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772820 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772822 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587772823 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587772866 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587772868 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587772870 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(-c3cc(C=O)ccn3)c2)N1 ZINC000587772871 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773090 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773091 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773092 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773094 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587773560 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587773561 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587773562 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587773565 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773856 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773857 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773858 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccnc2)(c2cccnc2)N1 ZINC000587773859 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587774036 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587774037 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587774038 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587774039 II Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587774430 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587774431 II Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587774481 II Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587774486 II Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587774502 II Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587774508 II Annotated Anodyne COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774512 II Annotated Clean COc1cc(N2CCOCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774520 II Annotated Clean COc1cc(N2CCOCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774525 II Annotated Clean COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774530 II Annotated Clean CCc1ccc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774846 II Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774847 II Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774848 II Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774849 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587774868 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587774869 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587774870 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587774871 II Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774876 II Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774877 II Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774878 II Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774879 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587775053 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587775054 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587775055 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccn2)(c2ccccn2)N1 ZINC000587775056 II Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775329 II Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775330 II Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775331 II Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775332 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775447 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775448 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775449 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775450 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775962 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775979 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775980 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775981 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776096 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776099 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776100 II Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776101 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CN2C ZINC000587776190 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CN2C ZINC000587776196 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CN2C ZINC000587776200 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CN2C ZINC000587776203 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCN3C(=O)OC(C)(C)C)C2)N1 ZINC000587776204 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCN3C(=O)OC(C)(C)C)C2)N1 ZINC000587776205 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587776209 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587776212 II Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587776216 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587776219 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)N1 ZINC000587776251 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587776252 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)N1 ZINC000587776253 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587776254 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587776255 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587776256 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587776283 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587776284 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776496 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776497 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776498 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776499 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587776709 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587776710 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587776711 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587776795 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587776796 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587776797 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587776798 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587777008 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587777009 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587777010 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587777011 II Annotated Anodyne COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777028 II Annotated Clean COc1cc(N2CCOCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777029 II Annotated Clean COc1cc(N2CCOCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777030 II Annotated Clean COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777031 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587777032 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587777033 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 ZINC000587777034 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587777035 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587777036 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1COC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587777037 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587777052 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587777053 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587777054 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCOCC2)(c2ccccc2)N1 ZINC000587777055 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587777179 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587777181 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587777184 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587777186 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587777188 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587777190 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587777191 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587777192 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587777278 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587777279 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587777280 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587777281 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587777304 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587777305 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587777306 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587777307 II Annotated Anodyne COc1cc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2cc1OC ZINC000587777690 II Annotated Anodyne COc1cc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2cc1OC ZINC000587777695 II Annotated Anodyne COc1cc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2cc1OC ZINC000587777696 II Annotated Anodyne COc1cc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2cc1OC ZINC000587777697 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587778379 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587778380 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587778381 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2O)OCO4)N1 ZINC000587778382 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587778932 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587778933 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587778934 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(O)c(C(=O)O)cc32)N1 ZINC000587778936 II Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779333 II Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779334 II Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779335 II Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779336 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587779582 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587779583 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587779584 II Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587779586 II Annotated Anodyne COc1cc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2cc1OC ZINC000587779950 II Annotated Anodyne COc1cc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2cc1OC ZINC000587779951 II Annotated Anodyne COc1cc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2cc1OC ZINC000587779952 II Annotated Anodyne COc1cc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2cc1OC ZINC000587779953 II Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587780015 II Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587780016 II Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587780017 II Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587780018 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587780087 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587780088 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587780090 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2O)OCCO4)N1 ZINC000587780091 II Annotated Anodyne CCOc1ccccc1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587780615 II Annotated Anodyne CCOc1ccccc1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587780686 II Annotated Anodyne Clc1ncc(I)c2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587780880 II Annotated Anodyne Clc1ncc(I)c2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587780881 II Annotated Anodyne CCC[C@H](CC1(c2nc3nc(C#N)c(C#N)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781272 II Annotated Mild CCC[C@@H](CC1(c2nc3nc(C#N)c(C#N)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781273 II Annotated Mild CC1=C(c2ccc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3c2)NNC(=O)C1 ZINC000587782534 II Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCOCC3CC3)[nH]c2c1 ZINC000587784140 II Annotated Anodyne COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(OC)c1O ZINC000587785109 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2c1 ZINC000587785511 II Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2c1 ZINC000587785513 II Annotated Clean COc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(OC)c1C ZINC000587786028 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)cnc2[nH]1 ZINC000587786033 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cncc(C)c2[nH]1 ZINC000587786172 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C)nc2[nH]1 ZINC000587786252 II Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)cc1O ZINC000587786260 II Annotated Anodyne COc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc(O)c1O ZINC000587786787 II Annotated Clean COc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc(O)c1O ZINC000587786793 II Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587786872 II Annotated Mild COC(=O)c1cc(Br)c2nc(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)[nH]c2c1 ZINC000587786893 II Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)[nH]c2c1 ZINC000587786899 II Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)[nH]c2c1 ZINC000587786904 II Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)[nH]c2c1 ZINC000587786909 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(O)cc2[nH]1 ZINC000587787012 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C)ccnc2[nH]1 ZINC000587787106 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3cc(C)ccc3OC)nc2c1 ZINC000587787261 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C#N)c2[nH]1 ZINC000587787593 II Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)cnc2[nH]1 ZINC000587787619 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C)nccc2[nH]1 ZINC000587788241 II Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(O)c2[nH]1 ZINC000587788246 II Annotated Anodyne COc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(OC)c1C ZINC000587788294 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587788775 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587788781 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587788784 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587788786 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587788842 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587788860 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587788861 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(=O)O ZINC000587788863 II Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789010 II Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789015 II Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789016 II Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587789017 II Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789043 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789044 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789045 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789046 II Annotated Mild COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O[C@@H](C)C(=O)O ZINC000587789269 II Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O[C@@H](C)C(=O)O ZINC000587789270 II Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O[C@H](C)C(=O)O ZINC000587789271 II Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O[C@H](C)C(=O)O ZINC000587789272 II Annotated Anodyne COC(=O)COc1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587789390 II Annotated Anodyne COC(=O)COc1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587789395 II Annotated Anodyne COC(=O)COc1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587789397 II Annotated Anodyne COC(=O)COc1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587789401 II Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)no1 ZINC000587789588 II Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)no1 ZINC000587789590 II Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)no1 ZINC000587789592 II Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)no1 ZINC000587789594 II Annotated Anodyne CCOC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789994 II Annotated Anodyne CCOC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789996 II Annotated Anodyne CCOC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789998 II Annotated Anodyne CCOC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790000 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790055 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790056 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790057 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790058 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790168 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790176 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790178 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc4c3n(c2=O)CCC4)N1 ZINC000587790181 II Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O[C@@H](C)C(=O)O ZINC000587790225 II Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O[C@@H](C)C(=O)O ZINC000587790226 II Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O[C@H](C)C(=O)O ZINC000587790227 II Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O[C@H](C)C(=O)O ZINC000587790228 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587790824 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587790827 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587790829 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587790832 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587790887 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587790888 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587790889 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2cc[nH]c2)N1 ZINC000587790890 II Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791192 II Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791195 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)C(=O)O ZINC000587791207 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)C(=O)O ZINC000587791208 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)C(=O)O ZINC000587791209 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)C(=O)O ZINC000587791210 II Annotated Anodyne COC(=O)COc1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587791364 II Annotated Anodyne COC(=O)COc1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587791365 II Annotated Anodyne COC(=O)COc1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587791366 II Annotated Anodyne COC(=O)COc1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587791367 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791375 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791377 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791379 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791381 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587791384 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587791385 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587791386 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(=O)O ZINC000587791387 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587791436 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587791438 II Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791468 II Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791470 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587791565 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587791567 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587791713 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587791717 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587791718 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1CCCc3cccc2c31 ZINC000587791720 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](C=O)c2ncc[nH]2)N1 ZINC000587791963 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](C=O)c2ncc[nH]2)N1 ZINC000587791964 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C=O)c2ncc[nH]2)N1 ZINC000587791965 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C=O)c2ncc[nH]2)N1 ZINC000587791966 II Annotated Mild CCOC(=O)C[C@]1(COc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792048 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792050 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792052 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792053 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587792216 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587792217 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587792218 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587792219 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(OC)ccc(OC)c3OC)nc2c1 ZINC000587792476 II Annotated Anodyne Cc1cc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3nnnn3c2cc1C ZINC000587792502 II Annotated Anodyne Cc1cc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3nnnn3c2cc1C ZINC000587792503 II Annotated Anodyne Cc1cc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3nnnn3c2cc1C ZINC000587792504 II Annotated Anodyne Cc1cc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3nnnn3c2cc1C ZINC000587792505 II Annotated Anodyne COc1ccc(OC)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1OC ZINC000587792546 II Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792722 II Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792723 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792806 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792815 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792819 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792826 II Annotated Anodyne COCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587792929 II Annotated Anodyne COCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587792932 II Annotated Anodyne COCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587792934 II Annotated Anodyne COCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587792936 II Annotated Anodyne COCCOCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792944 II Annotated Anodyne COCCOCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792945 II Annotated Anodyne COCCOCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792947 II Annotated Anodyne COCCOCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792949 II Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587793203 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587793205 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587793207 II Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587793209 II Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793322 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793325 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793326 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793327 II Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793684 II Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793685 II Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793686 II Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793687 II Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)no1 ZINC000587793736 II Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)no1 ZINC000587793737 II Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)no1 ZINC000587793738 II Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)no1 ZINC000587793739 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793925 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793927 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793928 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793929 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793986 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793990 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793994 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793998 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C=O)c2ncc[nH]2)N1 ZINC000587794078 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C=O)c2ncc[nH]2)N1 ZINC000587794081 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](C=O)c2ncc[nH]2)N1 ZINC000587794083 II Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](C=O)c2ncc[nH]2)N1 ZINC000587794085 II Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794151 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794153 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794154 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794156 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587794320 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587794321 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587794322 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587794323 II Annotated Anodyne Cc1cc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3nnnn3c2cc1C ZINC000587794617 II Annotated Anodyne Cc1cc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3nnnn3c2cc1C ZINC000587794620 II Annotated Anodyne Cc1cc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3nnnn3c2cc1C ZINC000587794622 II Annotated Anodyne Cc1cc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3nnnn3c2cc1C ZINC000587794625 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794639 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794647 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794685 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794687 II Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794689 II Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794691 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794950 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794951 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794952 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587794953 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795244 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795247 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795249 II Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795253 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795304 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795305 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587796038 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587796039 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587796040 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)n3c4c(cccc24)CCC3)N1 ZINC000587796041 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796374 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796375 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796376 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796377 II Annotated Anodyne COCCOCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796413 II Annotated Anodyne COCCOCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796414 II Annotated Anodyne COCCOCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796416 II Annotated Anodyne COCCOCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796417 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796495 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796497 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796498 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796500 II Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587796995 II Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587796996 II Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587796997 II Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587796998 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797035 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797038 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797042 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797045 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)C(=O)O ZINC000587797880 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)C(=O)O ZINC000587797881 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)C(=O)O ZINC000587797882 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)C(=O)O ZINC000587797883 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587797902 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587797903 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587797904 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587797905 II Annotated Anodyne CCOC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797953 II Annotated Anodyne CCOC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797955 II Annotated Anodyne CCOC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797956 II Annotated Anodyne CCOC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797958 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587798054 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587798057 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587798060 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000587798063 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798192 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798193 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798194 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798195 II Annotated Anodyne COCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798510 II Annotated Anodyne COCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798511 II Annotated Anodyne COCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798512 II Annotated Anodyne COCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587798513 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798580 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798583 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798584 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798585 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798750 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798753 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798754 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798755 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798868 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798869 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798871 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OCC(=O)O)cc2)N1 ZINC000587798873 II Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798966 II Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798967 II Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798968 II Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798969 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798990 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798991 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798992 II Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798993 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799271 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799273 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799275 II Annotated Anodyne Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799277 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799295 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799296 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799297 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799298 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587799515 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587799517 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587799518 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000587799520 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587799556 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587799557 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587799558 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCNCC3)Oc3ccccc32)N1 ZINC000587799559 II Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799604 II Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799605 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799841 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799842 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799843 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799845 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800026 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800027 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800028 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800029 II Annotated Anodyne CCOc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800050 II Annotated Anodyne CCOc1ccc([C@]2(/C=C\C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800054 II Annotated Anodyne CCOc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800056 II Annotated Anodyne CCOc1ccc([C@]2(/C=C\C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800057 II Annotated Anodyne CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587800073 II Annotated Anodyne CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587800075 II Annotated Anodyne CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587800077 II Annotated Anodyne CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587800079 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800172 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800174 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800175 II Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800176 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800221 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800223 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800224 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800225 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800250 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800251 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800252 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800253 II Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800699 II Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800701 II Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800703 II Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800705 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800768 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800769 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800770 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800771 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800814 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800815 II Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800816 II Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800817 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800818 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800819 II Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800820 II Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800821 II Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801043 II Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801044 II Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801045 II Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801046 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801199 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801200 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801201 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801202 II Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801443 II Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801444 II Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801445 II Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801446 II Annotated Anodyne CCOc1ccc([C@]2(C=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587802297 II Annotated Mild CCOc1ccc([C@@]2(C=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587802298 II Annotated Mild COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802343 II Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802344 II Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802345 II Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802346 II Annotated Anodyne CCOc1ccc([C@@]2(C=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587802399 II Annotated Mild CCOc1ccc([C@]2(C=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587802400 II Annotated Mild CCOc1ccc([C@]2(/C=C\C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802445 II Annotated Anodyne CCOc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802446 II Annotated Anodyne CCOc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802447 II Annotated Anodyne CCOc1ccc([C@]2(/C=C\C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802448 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802527 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802528 II Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802529 II Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802530 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802599 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802600 II Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802601 II Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802602 II Annotated Anodyne CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587802737 II Annotated Anodyne CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587802739 II Annotated Anodyne CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587802741 II Annotated Anodyne CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587802743 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803371 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803372 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803374 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803375 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803396 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803397 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803398 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803399 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803752 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803755 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803757 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803759 II Annotated Anodyne CCOc1ccc([C@]2(C=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587803778 II Annotated Mild CCOc1ccc([C@@]2(C=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587803779 II Annotated Mild CCOc1ccc([C@@]2(C=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587803781 II Annotated Mild CCOc1ccc([C@]2(C=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587803784 II Annotated Mild COC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804152 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804154 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804156 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804158 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804188 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804190 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804193 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804194 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804326 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804327 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804328 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804329 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804667 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804671 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804675 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804679 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804688 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804690 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804694 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804697 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804813 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804815 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804817 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804818 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805112 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805114 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805115 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805117 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805340 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805341 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805343 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805344 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805459 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805460 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805461 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805462 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805576 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805579 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805580 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805581 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806267 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806270 II Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806272 II Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806274 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806356 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806357 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806358 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806359 II Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587806428 II Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587806429 II Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587806430 II Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587806431 II Annotated Mild COC(=O)/C=C/[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806710 II Annotated Anodyne COC(=O)/C=C\[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806712 II Annotated Anodyne COC(=O)/C=C\[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806714 II Annotated Anodyne COC(=O)/C=C/[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806716 II Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806784 II Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806785 II Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806786 II Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806787 II Annotated Anodyne CC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587807441 II Annotated Anodyne CC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587807442 II Annotated Anodyne CC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587807444 II Annotated Anodyne CC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O ZINC000587807445 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807536 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807538 II Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807539 II Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807541 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807591 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807592 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807594 II Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807595 II Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808332 II Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808333 II Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808334 II Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808335 II Annotated Anodyne COC(=O)/C=C/[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808393 II Annotated Anodyne COC(=O)/C=C\[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808394 II Annotated Anodyne COC(=O)/C=C\[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808395 II Annotated Anodyne COC(=O)/C=C/[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808396 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)=O ZINC000587808451 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)=O ZINC000587808453 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)=O ZINC000587808454 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)=O ZINC000587808456 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808656 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808659 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808661 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808663 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808746 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808753 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808756 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808762 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809909 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809912 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809914 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809916 II Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)=O ZINC000587810081 II Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)=O ZINC000587810086 II Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)=O ZINC000587810088 II Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)=O ZINC000587810092 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810404 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810406 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810409 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810410 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810688 II Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810691 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810696 II Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810700 II Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810780 II Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810781 II Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810783 II Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810785 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811367 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811368 II Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811369 II Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811370 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811411 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811412 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811413 II Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811414 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811877 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811891 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811896 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811897 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811974 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811977 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811981 II Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811984 II Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812279 II Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812280 II Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812281 II Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812282 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812530 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812531 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812532 II Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812533 II Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812540 II Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812541 II Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812542 II Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812543 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812554 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812555 II Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812556 II Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812557 II Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587813112 II Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587813114 II Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587813115 II Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587813116 II Annotated Mild CC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587813367 II Annotated Anodyne CC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587813369 II Annotated Anodyne CC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587813371 II Annotated Anodyne CC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O ZINC000587813373 II Annotated Anodyne CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820468 II Annotated Clean CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820474 II Annotated Clean CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820476 II Annotated Clean CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820478 II Annotated Clean CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821326 II Annotated Clean CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821327 II Annotated Clean CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821328 II Annotated Clean CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821329 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823807 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823809 II Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823811 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823812 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823959 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823962 II Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823964 II Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 ZINC000587823966 II Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C1CC1 ZINC000587824793 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C1CC1 ZINC000587824794 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C1CC1 ZINC000587824795 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C1CC1 ZINC000587824796 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C1CC1 ZINC000587824839 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C1CC1 ZINC000587824840 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C1CC1 ZINC000587824841 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C1CC1 ZINC000587824842 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825969 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825970 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825971 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825972 II Annotated Anodyne Cc1ccc([C@@]2(CC(=O)CCCO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826000 II Annotated Anodyne Cc1ccc([C@]2(CC(=O)CCCO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826005 II Annotated Anodyne Cc1ccc([C@@]2(CC(=O)CCCO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826006 II Annotated Anodyne Cc1ccc([C@]2(CC(=O)CCCO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826008 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587826053 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587826055 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587826056 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587826057 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826105 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826106 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826107 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826108 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587826275 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587826276 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587826277 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587826278 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826503 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826504 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826506 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CC(=O)c2ccccc2)N1 ZINC000587826507 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587826519 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587826520 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587826521 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587826522 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)([C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587826543 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)([C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587826544 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)([C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587826545 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)([C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587826546 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587826837 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587826840 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587826843 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587826846 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828045 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828046 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828047 II Annotated Anodyne CC(=O)[C@H](c1ccccc1C(=O)O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828048 II Annotated Anodyne Cc1ccc([C@@]2(CC(=O)CCCO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828400 II Annotated Anodyne Cc1ccc([C@]2(CC(=O)CCCO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828401 II Annotated Anodyne Cc1ccc([C@@]2(CC(=O)CCCO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828402 II Annotated Anodyne Cc1ccc([C@]2(CC(=O)CCCO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828409 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587828671 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587828674 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587828677 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587828679 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)([C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587828781 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)([C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587828786 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)([C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587828787 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)([C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)N1 ZINC000587828789 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587829025 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587829026 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587829029 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)N1 ZINC000587829031 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587829177 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587829178 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587829179 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](O)C=C2CCCCCCC(=O)O)N1 ZINC000587829181 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587830243 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587830244 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587830246 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C(=O)C(=O)O)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587830248 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587831204 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587831208 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587831210 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587831212 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832924 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832927 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832929 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832932 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832953 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832955 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832957 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OC=C2OCc2ccccc2)N1 ZINC000587832959 II Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC[C@H]1CO1 ZINC000587834382 II Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC[C@H]1CO1 ZINC000587834385 II Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC[C@@H]1CO1 ZINC000587834387 II Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC[C@@H]1CO1 ZINC000587834389 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587834703 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587834704 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587834705 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 ZINC000587834706 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587834938 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587834942 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587834943 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587834945 II Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC[C@H]1CO1 ZINC000587836285 II Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC[C@H]1CO1 ZINC000587836286 II Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC[C@@H]1CO1 ZINC000587836287 II Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC[C@@H]1CO1 ZINC000587836288 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587836687 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587836688 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587836689 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)OC(C)(C)C)(C2=COCCC2)N1 ZINC000587836690 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837255 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837256 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837257 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837258 II Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837615 II Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837616 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837617 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837618 II Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587838157 II Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587838158 II Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587838159 II Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587838160 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838739 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838740 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838741 II Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838742 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839490 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839491 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839492 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839493 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840088 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840089 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840090 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840091 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840092 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840093 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840094 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840095 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840096 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840097 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840098 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587840099 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840274 II Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840275 II Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840276 II Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840277 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587840688 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587840689 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587840690 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587840691 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(/C=C/C(=O)O)=COc1ccccc12 ZINC000587840938 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(/C=C/C(=O)O)=COc1ccccc12 ZINC000587840939 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(/C=C\C(=O)O)=COc1ccccc12 ZINC000587840940 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(/C=C\C(=O)O)=COc1ccccc12 ZINC000587840941 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841170 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841171 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841172 II Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841173 II Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587841743 II Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587841745 II Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587841747 II Annotated Anodyne CCOC(=O)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587841749 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587841948 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587841950 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587841952 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2S(=O)(=O)c2ccccc2)N1 ZINC000587841956 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841957 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841958 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841960 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841962 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841964 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841966 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841967 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841969 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841971 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841974 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841975 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)O)C3(C)C)N1 ZINC000587841976 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842486 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842487 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842488 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842489 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587842821 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587842828 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587842830 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587842832 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842858 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842859 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842860 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)N1 ZINC000587842861 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(/C=C\C(=O)O)=COc1ccccc12 ZINC000587842979 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(/C=C\C(=O)O)=COc1ccccc12 ZINC000587842981 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(/C=C/C(=O)O)=COc1ccccc12 ZINC000587842983 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(/C=C/C(=O)O)=COc1ccccc12 ZINC000587842986 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587843767 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587843770 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587843771 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587843773 II Annotated Reactive Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844125 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844128 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844129 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844130 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844591 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844592 II Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844593 II Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844594 II Annotated Anodyne CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587844878 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587844879 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587844880 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587844881 II Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587845241 II Annotated Reactive COC(=O)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587845243 II Annotated Reactive COC(=O)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587845244 II Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587845246 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587845266 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587845268 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587845270 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587845271 II Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845832 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845834 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845836 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845838 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845971 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845972 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845973 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845975 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587845992 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587845993 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587845994 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587845995 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587846560 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587846571 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587846574 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587846577 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587847042 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587847044 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587847046 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587847048 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587847182 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587847183 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587847184 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587847185 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587847636 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587847645 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587847648 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587847650 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847749 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847753 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847755 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847756 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587848321 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587848322 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587848324 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCOCC3)s2)N1 ZINC000587848325 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587848409 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587848414 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587848417 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587848418 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587848424 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587848427 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587848429 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2S(C)(=O)=O)N1 ZINC000587848431 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587848533 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587848534 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587848535 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nnnn2-c2ccccc2)N1 ZINC000587848536 II Annotated Anodyne CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848694 II Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848695 II Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848725 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848727 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848729 II Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848731 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587848875 II Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587848876 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587848877 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587848878 II Annotated Unstable CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848896 II Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848897 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587848958 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587848959 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587848960 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587848961 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849186 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849188 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849190 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587849192 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587849411 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587849412 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587849413 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587849414 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587849591 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587849592 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587849593 II Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 ZINC000587849594 II Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587849618 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587849619 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587849620 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587849621 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587849642 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587849643 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587849644 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)s2)N1 ZINC000587849645 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849714 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849715 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849716 II Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849717 II Annotated Anodyne COC(=O)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849855 II Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849856 II Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849857 II Annotated Reactive COC(=O)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849858 II Annotated Reactive CC(C)S(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587849994 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587849995 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587849996 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587849997 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850080 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850082 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850084 II Annotated Anodyne CC(C)S(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850087 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850441 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850443 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850446 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850449 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587850452 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587850455 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587850458 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587850460 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587850496 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587850497 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587850498 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CN3CCOCC3)cs2)N1 ZINC000587850499 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587850544 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587850545 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587850546 II Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 ZINC000587850547 II Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587850568 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587850569 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587850570 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)s2)N1 ZINC000587850571 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850608 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850609 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850610 II Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 ZINC000587850611 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850663 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850668 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850670 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587850672 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851010 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851011 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851012 II Annotated Anodyne CCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587851013 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587851307 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587851308 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587851309 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)N1 ZINC000587851310 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587851383 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587851384 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587851385 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587851386 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587851524 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587851527 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587851530 II Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587851533 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587851900 II Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587851901 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587851903 II Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587851905 II Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587851955 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587851956 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587851957 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2S(C)(=O)=O)N1 ZINC000587851958 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587852058 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587852059 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587852060 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587852061 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587852163 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587852166 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587852169 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587852172 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587852250 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587852251 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587852252 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(Cl)cc2)N1 ZINC000587852253 II Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853072 II Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853081 II Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853083 II Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853085 II Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853334 II Annotated Anodyne COCCCNc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853335 II Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853336 II Annotated Anodyne COCCCNc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853337 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(F)c(N2CCOCC2)n1 ZINC000587853988 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587854280 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587854281 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587854282 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCOCC3)nc2Cl)N1 ZINC000587854283 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587854518 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587854520 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587854521 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587854523 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]cc1Br ZINC000587854718 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587854938 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587854949 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587854952 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587854956 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587855141 II Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587855473 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587855476 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587855479 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCSCC3)o2)N1 ZINC000587855481 II Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855597 II Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855600 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)c1cccc(F)c1 ZINC000587855649 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnn(CCOC)c(=O)c1Cl ZINC000587855674 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)cc1Br ZINC000587855939 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587855956 II Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855961 II Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855962 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587855986 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587855989 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587855991 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587856716 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587856717 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587856976 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2csc(N)n2)(c2ccccc2)N1 ZINC000587856979 II Annotated Anodyne Cc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857120 II Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857125 II Annotated Anodyne Cc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857127 II Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857131 II Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857132 II Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857134 II Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857135 II Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857137 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587857526 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587857528 II Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587857529 II Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587857530 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587857564 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587857566 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587857568 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(s2)SCC(=O)N3)N1 ZINC000587857570 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000587857818 II Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587858755 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587858756 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587858757 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/SCC(=O)N2C)(c2ccco2)N1 ZINC000587858758 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000587859024 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587859167 II Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000587859197 II Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NN/C(=C/c2ccccc2)C(=O)N1 ZINC000587859301 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NN/C(=C\c2ccccc2)C(=O)N1 ZINC000587859303 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587859399 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587859400 II Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587859401 II Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/SCC(=O)N2C)(C(C)(C)C)N1 ZINC000587859402 II Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859440 II Annotated Anodyne Cc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859442 II Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859444 II Annotated Anodyne Cc1ccccc1[C@]1(/C=C2\NC(=O)CS2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859445 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000587859486 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1C[C@H](C)O[C@H](C)C1 ZINC000587859487 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000587859488 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587859841 II Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587859843 II Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C(=O)N2CCCC2)cn1 ZINC000587859855 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]c(C)c(C(=O)NC)c1C ZINC000587859997 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000587860021 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCc2nnc(CC)n2C1 ZINC000587860302 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCc2nnc(CC)n2C1 ZINC000587860306 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000587860351 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C ZINC000587860391 II Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000587860401 II Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(CS(=O)(=O)NC)cc1 ZINC000587860429 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000587860436 II Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000587860493 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587860655 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000587860687 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000587860710 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000587860728 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(Br)c(C)nn1C ZINC000587860817 II Annotated Anodyne C=C1C=C(n2nc(-c3ccccc3C(F)(F)F)cc2OC)N2NC(C(F)(F)F)=NC2=N1 ZINC000587860915 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncc(Br)c1 ZINC000587860940 II Annotated Anodyne CCn1cc(Br)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 ZINC000587860970 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnc(Br)c1 ZINC000587860975 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)cn1C ZINC000587860985 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ncccc1Br ZINC000587861006 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587861122 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1n[nH]c(C)c1Br ZINC000587861193 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1ncc(Br)c1C ZINC000587861240 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)(F)F)cc1C ZINC000587861267 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1=C(C)N[C@@H]2C=CC(Cl)=CN12 ZINC000587861277 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1=C(C)N[C@H]2C=CC(Cl)=CN12 ZINC000587861278 II Annotated Anodyne COc1ncc(Br)nc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861423 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(Br)cn2ccnc12 ZINC000587861833 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(Br)c(C)n1 ZINC000587861889 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)c(C)c1Br ZINC000587861895 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc(Br)cn1 ZINC000587861918 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc(Br)cn1 ZINC000587861921 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587861945 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587861953 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C(=C/c1ccccc1)NC(C)=O ZINC000587862398 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C(=C\c1ccccc1)NC(C)=O ZINC000587862399 II Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc(OC)c1OC ZINC000587862531 II Annotated Anodyne COc1ccc(-c2cnnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1 ZINC000587862563 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(Cc2ccccc2)c1N ZINC000587862756 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587862758 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587862759 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(-c2ccccc2)cc1O ZINC000587862791 II Annotated Anodyne COc1cccc(-c2cnnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c1 ZINC000587862802 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000587862931 II Annotated Anodyne COc1ccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] ZINC000587862932 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)c2cnn(C(C)(C)C)c2n1 ZINC000587863010 II Annotated Anodyne COCCc1noc(-c2ccc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc2)n1 ZINC000587863047 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587863072 II Annotated Clean COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(-c2ccccc2)c1N ZINC000587863120 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn(-c2cccc(C)n2)cn1 ZINC000587863161 II Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc([N+](=O)[O-])cc1C ZINC000587863188 II Annotated Bother CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc([N+](=O)[O-])cc1C ZINC000587863189 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1oc(-c2ccccc2)nc1C(N)=O ZINC000587863221 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSC(=S)N1CCCC1 ZINC000587863265 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccccc2)n1 ZINC000587863285 II Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)no2)c(C)n1 ZINC000587863295 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000587863324 II Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000587863421 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000587863422 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1n[nH]c(C)c1Br ZINC000587863463 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Br)cnn1C ZINC000587863483 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000587863936 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000587863937 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000587863941 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000587864034 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000587864036 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(Br)cn1 ZINC000587864110 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1n[nH]cc1Br ZINC000587864179 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1nc2ccccc2s1 ZINC000587864263 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000587864298 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nnc(O)c2ccccc12 ZINC000587864305 II Annotated Anodyne CCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc(=O)c2c(C)cc(C)nc21 ZINC000587864376 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587864715 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000587864890 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)cc1Br ZINC000587864896 II Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2nc(NN)sc2c1 ZINC000587864920 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(F)(F)F)nn1C ZINC000587865004 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCCCC(=O)NN ZINC000587865042 II Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1S(C)(=O)=O ZINC000587865142 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC000587865275 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587865369 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cn(C)nc2C)on1 ZINC000587865583 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587865595 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587865596 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C ZINC000587865601 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587865617 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587865618 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000587865855 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cn(C)nc2C)n1 ZINC000587865867 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587865943 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587865969 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587865970 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000587865977 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCCNC(=O)OC(C)(C)C ZINC000587865995 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1C(=O)COc2ccccc21 ZINC000587866003 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cnn(C)c2C)on1 ZINC000587866056 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000587866074 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000587866075 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000587866085 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000587866086 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000587866144 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cnn(C)c2C)n1 ZINC000587866150 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000587866171 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000587866281 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1cc([N+](=O)[O-])cn1 ZINC000587866375 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1cc([N+](=O)[O-])cn1 ZINC000587866376 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(CS(=O)(=O)NC)cc1 ZINC000587866494 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1Br ZINC000587866565 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc([N+](=O)[O-])cc1Br ZINC000587866595 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCc2nnc(CC)n2C1 ZINC000587866598 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCc2nnc(CC)n2C1 ZINC000587866600 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)ccc1O ZINC000587866651 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)nc1Cl ZINC000587866859 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000587866888 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Br)cc1 ZINC000587866977 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCN1CCCCC1 ZINC000587867002 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587867008 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587867009 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1C[C@H](C)O[C@H](C)C1 ZINC000587867174 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000587867175 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000587867176 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000587867181 II Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000587867201 II Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000587867205 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587867216 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587867217 II Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000587867218 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000587867367 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(-c2ccc(C)cc2)no1 ZINC000587867417 II Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)no2)cc1 ZINC000587867423 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000587867432 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2onc(C)c12 ZINC000587867530 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000587867644 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 ZINC000587867663 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 ZINC000587867665 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000587867688 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C)c(Cl)c1C ZINC000587867735 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc(C)c(Cl)c1C ZINC000587867736 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C)c(Cl)c1C ZINC000587867748 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C(F)(F)F)cc1C ZINC000587867756 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncc(-c2cc(C)ccc2C)n1 ZINC000587867768 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000587867778 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccccn2)nc(C)c1C ZINC000587867793 II Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ccc1OC(C)C ZINC000587867816 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)c(Cc2ccccc2)c(O)n1 ZINC000587867861 II Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587867874 II Annotated Anodyne CCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OCC ZINC000587867899 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000587867915 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000587868045 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000587868048 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000587868092 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000587868094 II Annotated Anodyne CCCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC ZINC000587868159 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000587868173 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(NC(=O)C(C)(C)C)c1 ZINC000587868181 II Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587868190 II Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587868191 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000587868288 II Annotated Anodyne CCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587868291 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1F ZINC000587868381 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1F ZINC000587868382 II Annotated Anodyne CCc1cc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc(-c2ccccn2)n1 ZINC000587868402 II Annotated Anodyne CCc1nc2ccccc2n1CC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868464 II Annotated Anodyne CCOC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c([N+](=O)[O-])c1 ZINC000587868472 II Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncc(-c2ccc(C)cc2C)n1 ZINC000587868508 II Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ccc1OC(F)F ZINC000587868548 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C ZINC000587868563 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C ZINC000587868564 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc(C(F)F)cc1C ZINC000587868614 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C(F)F)cc1C ZINC000587868616 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cccnc2)nc(C)c1C ZINC000587868680 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC000587868727 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)cc2C)o1 ZINC000587868742 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc(-c2ccccc2O)n1 ZINC000587868747 II Annotated Anodyne COc1ccccc1-c1ccnc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868758 II Annotated Anodyne COc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1F ZINC000587868766 II Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868777 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccncc2)nc(C)c1C ZINC000587868851 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(F)cc1Cl ZINC000587868871 II Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] ZINC000587868874 II Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000587868898 II Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncc(-c2ccc(C)c(C)c2)n1 ZINC000587868926 II Annotated Anodyne COc1cccc(-c2ccnc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c1 ZINC000587868950 II Annotated Anodyne CCc1ccc(-c2cnnc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1 ZINC000587868969 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000587869003 II Annotated Anodyne CCn1nc(C)c2c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc(C)nc21 ZINC000587869066 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000587869137 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)cs1 ZINC000587869208 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Br)s1 ZINC000587869216 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Nc1nc2ccccc2s1 ZINC000587869221 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Nc1nc2ccccc2s1 ZINC000587869222 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2cc(Br)ccc2n1 ZINC000587869261 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2[nH]1 ZINC000587869312 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c1cnn2-c1ccccc1 ZINC000587869321 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C)c(Br)c1C ZINC000587869387 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2cc(Br)cc(C)c2n1 ZINC000587869430 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCCN(C)c1ccccc1 ZINC000587869454 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000587869468 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2n1C ZINC000587869537 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc3c(cc2s1)OCCO3 ZINC000587869604 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2c(C)c(Br)ccc2n1 ZINC000587869629 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1c(Br)ccc(OC)c1N ZINC000587869713 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2c(=O)n1C1CC1 ZINC000587869902 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(NC(C)=O)c1 ZINC000587869953 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587869988 II Annotated Bother COc1ccccc1-c1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n[nH]1 ZINC000587870032 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc2c(n1)[nH]c1c(C)cccc12 ZINC000587870094 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2cc(Br)c(C)cc2n1 ZINC000587870104 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1I ZINC000587870176 II Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)c(S(C)(=O)=O)cc1Cl ZINC000587870219 II Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n[nH]2)cc1 ZINC000587870243 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(N)sc1-c1ccc(F)cc1 ZINC000587870292 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)nc(C)c1I ZINC000587870440 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000587870521 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000587870606 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC000587870658 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F ZINC000587870659 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@@H]2C(F)(F)F ZINC000587870660 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F ZINC000587870661 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 ZINC000587870743 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000587870747 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(N)sc1-c1cccc(F)c1 ZINC000587870755 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587870859 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587870860 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000587870861 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000587870862 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(I)cc1 ZINC000587870883 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000587871199 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000587871801 II Annotated Anodyne O=C(c1cc(Br)c(Br)[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587871867 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000587871936 II Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000587872104 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cc(OC)ccc2OC)[nH]n1 ZINC000587872400 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000587872419 II Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C ZINC000587872438 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000587872457 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)/C=C1\NC(=O)c2c(sc(C)c2C)N1 ZINC000587872512 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)/C=C1/NC(=O)c2c(sc(C)c2C)N1 ZINC000587872513 II Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c2ccccc2c1=O ZINC000587872680 II Annotated Anodyne CCOCCCn1c(-n2nc(-c3cccc(F)c3)cc2OCC)nc2ccccc2c1=O ZINC000587873032 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(OC)cc2)n1 ZINC000587873219 II Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1I ZINC000587873240 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cc(OC)c(OC)c(OC)c1 ZINC000587873323 II Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CSc2nncn2C)cc1 ZINC000587873448 II Annotated Anodyne Cc1c(Br)c(C(F)F)nn1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873889 II Annotated Anodyne Cn1nc(C(F)(F)F)c(Br)c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874115 II Annotated Anodyne Cn1nc(C(=O)n2nc3cc2oc2ccc(F)cc32)c(Br)c1C(F)(F)F ZINC000587874142 II Annotated Anodyne O=C(c1nnn(-c2ccc(F)cc2)c1-n1cccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874244 II Annotated Anodyne O=C(CN1CCN(Cc2ccccc2Cl)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874344 II Annotated Anodyne O=C(c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874388 II Annotated Bother O=C(c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874419 II Annotated Bother O=C(c1ccccc1NS(=O)(=O)c1cccs1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874840 II Annotated Anodyne N#Cc1ccc(CBr)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874979 II Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCCBr)c1 ZINC000587875032 II Annotated Reactive Cc1nn(Cc2ccccc2C(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587875037 II Annotated Bother N#Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CBr ZINC000587875238 II Annotated Reactive O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875253 II Annotated Anodyne CCOC(=O)c1nn(C(=O)COc2cc(C)c(Cl)cc2C(C)C)c(OCC)c1C#N ZINC000587875277 II Annotated Mild N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 ZINC000587875338 II Annotated Reactive N#Cc1ccc(CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875523 II Annotated Reactive CCOC(=O)c1c(NC(=O)C(=O)n2nc3cc2oc2ccc(F)cc32)sc(C)c1C ZINC000587875757 II Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)c(C)c1[N+](=O)[O-] ZINC000587875946 II Annotated Bother Cc1nn(Cc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000587876092 II Annotated Bother COC(=O)c1cc2cc(CC#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2o1 ZINC000587876254 II Annotated Mild O=C(c1nnn(Cc2ccccc2)c1-c1cccnc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876317 II Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876334 II Annotated Anodyne N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000587876611 II Annotated Mild CCOc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1O ZINC000587876875 II Annotated Mild O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587877018 II Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000587877211 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000587877212 II Annotated Mild CC(C)(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 ZINC000587877244 II Annotated Mild CCCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OC ZINC000587877300 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Br)c1C(=O)O ZINC000587877302 II Annotated Mild Cc1c(Br)cc(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877340 II Annotated Mild COc1c(Cl)cc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877342 II Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC(C)C ZINC000587877358 II Annotated Mild COc1c(Br)cc(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877364 II Annotated Mild COc1cc(CCl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877408 II Annotated Reactive COc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877417 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Br)c1[N+](=O)[O-] ZINC000587877423 II Annotated Mild CCOc1cc(/C=C\[N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877436 II Annotated Mild CCOc1cc(/C=C/[N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877437 II Annotated Mild C=CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OCC ZINC000587877457 II Annotated Mild CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC ZINC000587877472 II Annotated Mild C#CCOc1c(Cl)cc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877477 II Annotated Mild CCOc1cc(C#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC ZINC000587877481 II Annotated Mild COc1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877491 II Annotated Mild CCOC(=O)c1cc(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877518 II Annotated Mild CCOC(=O)c1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877560 II Annotated Mild COc1cc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877580 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(C(=O)O)c1 ZINC000587877601 II Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCC#N)cc1OC ZINC000587877621 II Annotated Mild O=Cc1c(Br)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877652 II Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587877676 II Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N ZINC000587877711 II Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N ZINC000587877721 II Annotated Mild CCOc1cc(NC)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877771 II Annotated Mild CCNc1cc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877813 II Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587877839 II Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000587877995 II Annotated Mild CCCNc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C#N)cc1[N+](=O)[O-] ZINC000587877997 II Annotated Mild COc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(C)C ZINC000587878039 II Annotated Mild COc1cc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878043 II Annotated Mild C=CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OC ZINC000587878045 II Annotated Mild N#Cc1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878061 II Annotated Mild CC(C)CCOc1cc(N)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878097 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000587878136 II Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)cc1OCC ZINC000587878138 II Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(C)C)cc1N ZINC000587878174 II Annotated Mild COc1cc(N)c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878275 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000587878325 II Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCl)cc1OC ZINC000587878338 II Annotated Reactive CCCCCOc1cc(N)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878344 II Annotated Mild Cc1cc(Br)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878374 II Annotated Mild CC(=O)c1ccc(-n2ccnc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878426 II Annotated Mild O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878494 II Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(Br)c1 ZINC000587878542 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000587878641 II Annotated Mild CC(C)(C)OC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587878666 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)ccc1Br ZINC000587878673 II Annotated Mild O=C=Nc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878680 II Annotated Reactive CCN(CC)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000587878767 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1Br ZINC000587878780 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CC2)cc1Cl ZINC000587878914 II Annotated Mild O=CC1(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CCC1 ZINC000587878950 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cc1noc(CCl)n1 ZINC000587879033 II Annotated Reactive CC(C)[C@H](Oc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879083 II Annotated Mild CC(C)[C@@H](Oc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879084 II Annotated Mild CCOC(=O)/C(C#N)=C\c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879122 II Annotated Reactive CCOC(=O)/C(C#N)=C/c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879123 II Annotated Reactive Nc1ccnc(Oc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879300 II Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587879471 II Annotated Mild CCOC(=O)CCC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879472 II Annotated Mild CC(C)(C)OC(=O)Nc1cnccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879603 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nnc(CCl)o1 ZINC000587879678 II Annotated Reactive COCCOc1ccc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879708 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1Br ZINC000587879740 II Annotated Mild CCN(CC)c1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879766 II Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587879924 II Annotated Mild CC(C)(C)OC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587879974 II Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(CC)c1N ZINC000587880007 II Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)NC(C)C ZINC000587880012 II Annotated Mild COc1cccc(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880043 II Annotated Mild COc1ccc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880096 II Annotated Mild C[C@H](NC(=O)CCl)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880126 II Annotated Reactive C[C@@H](NC(=O)CCl)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880128 II Annotated Reactive COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)NC(C)(C)C ZINC000587880179 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cccc1[N+](=O)[O-] ZINC000587880334 II Annotated Mild CCN(CC)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587880373 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1Br ZINC000587880391 II Annotated Mild CC(C)(C)OC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O ZINC000587880511 II Annotated Mild COc1cccc(-c2ncncc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880589 II Annotated Mild CCCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC ZINC000587880603 II Annotated Mild CCC#CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587880740 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2cccc2)c(C(=O)O)c1 ZINC000587880749 II Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1-n1cnc(C)c1 ZINC000587880919 II Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)OC ZINC000587880949 II Annotated Mild COC(=O)CCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587880961 II Annotated Mild CCCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587880964 II Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccc2)nc1O ZINC000587881029 II Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1-c1nc(C2CC2)no1 ZINC000587881102 II Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@@H](O)c1ccccc1 ZINC000587881195 II Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@H](O)c1ccccc1 ZINC000587881196 II Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000587881336 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(N2CCCC2)c1 ZINC000587881480 II Annotated Mild CC(C)COc1nc(Cl)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881618 II Annotated Mild CC(C)(C)Oc1nc(Cl)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881626 II Annotated Mild C=C1C=CN2C=C(c3cccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3)NC2=N1 ZINC000587881765 II Annotated Mild Cn1c(C(=O)O)ccc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881780 II Annotated Mild N#CC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CCOCC1 ZINC000587881795 II Annotated Mild O=C1CC(=O)CC(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587881824 II Annotated Mild Nc1ncccc1NCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881845 II Annotated Mild Nc1ccc(Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)nc1 ZINC000587881908 II Annotated Mild CCOC(=O)[C@H](C)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881926 II Annotated Mild CCOC(=O)[C@@H](C)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881927 II Annotated Mild COC(=O)C1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CCC1 ZINC000587882005 II Annotated Mild CCOC(=O)CCCOc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882168 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nnc(CCl)o2)c1 ZINC000587882173 II Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CN2CCCCC2=O)c1 ZINC000587882287 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCC2CCNCC2)c1 ZINC000587882352 II Annotated Mild COC(=O)c1conc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882370 II Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 ZINC000587882381 II Annotated Mild CCN(CC)CCNc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882397 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(COC2CCOCC2)c1 ZINC000587882440 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)C2CCOCC2)c1 ZINC000587882494 II Annotated Mild CC(C)COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)c1 ZINC000587882600 II Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(C)C)c1 ZINC000587882645 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000587882809 II Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1 ZINC000587882917 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Cc2noc(CCl)n2)c1 ZINC000587882925 II Annotated Reactive N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC1CCOCC1 ZINC000587882967 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc([N+](=O)[O-])c1 ZINC000587883017 II Annotated Mild CCCOC[C@@H](N)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883164 II Annotated Mild CCCOC[C@H](N)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883165 II Annotated Mild N#CC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCOCC1 ZINC000587883247 II Annotated Mild CCOC(=O)C1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883264 II Annotated Mild COC(=O)C1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCC1 ZINC000587883272 II Annotated Mild Cc1onc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C=O ZINC000587883378 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(CCl)n2)cc1 ZINC000587883458 II Annotated Reactive Cn1c(C(=O)O)ccc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883626 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc3c(o2)CCNC3)cc1 ZINC000587883640 II Annotated Mild CCOC(=O)/C(C#N)=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883710 II Annotated Reactive CCOC(=O)/C(C#N)=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883711 II Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(CCl)o2)cc1 ZINC000587883753 II Annotated Reactive COC(=O)C1CC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000587883757 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COC2CCOCC2)cc1 ZINC000587883809 II Annotated Mild CC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000587884059 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cc2noc(CCl)n2)cc1 ZINC000587884077 II Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NCc2ccco2)cc1 ZINC000587884178 II Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2cn1 ZINC000587884273 II Annotated Mild CC[C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N1CCNCC1 ZINC000587884394 II Annotated Mild CC[C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N1CCNCC1 ZINC000587884395 II Annotated Mild CCOC(=O)CCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884428 II Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1C ZINC000587884454 II Annotated Mild CC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2oc1=O ZINC000587884457 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(CCOCC1)CN2 ZINC000587884684 II Annotated Mild [N-]=[N+]=Nc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(O)cc2oc1=O ZINC000587884901 II Annotated Mild Nc1ccc2c(c1)C(=O)c1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1-2 ZINC000587884939 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)C1(CCOCC1)C2 ZINC000587885030 II Annotated Mild C[C@H](CC(=O)O)CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885049 II Annotated Mild C[C@@H](CC(=O)O)CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885052 II Annotated Mild C/C(=C\C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N(C)C ZINC000587885097 II Annotated Mild C/C(=C/C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N(C)C ZINC000587885100 II Annotated Mild O=NCc1coc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000587885210 II Annotated Mild CCOC(=O)Cc1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885225 II Annotated Mild O=Cc1c(Cl)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2oc1=O ZINC000587885252 II Annotated Mild CCOC(=O)c1oc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1N ZINC000587885290 II Annotated Mild N[C@H](Cc1ccccn1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885293 II Annotated Mild N[C@@H](Cc1ccccn1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885298 II Annotated Mild O=C(O)CCCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885315 II Annotated Mild CN(C)c1[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1C=O ZINC000587885318 II Annotated Mild COC(OC)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Cl ZINC000587885457 II Annotated Mild CCOC(=O)c1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885513 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nc[nH]c2cc1Br ZINC000587885518 II Annotated Mild CCOC(=O)c1noc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885576 II Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N(C)C(=O)C(C)(C)C ZINC000587885599 II Annotated Mild CC(=O)OCCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885749 II Annotated Mild CC(=O)C(Cl)=NNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885773 II Annotated Mild CCOc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC(=O)N2C ZINC000587886003 II Annotated Mild Cc1ncc(C=O)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886033 II Annotated Mild CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc(C(=O)O)[nH]c12 ZINC000587886084 II Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cnc(Cl)nc12 ZINC000587886085 II Annotated Mild Nc1cccnc1Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886143 II Annotated Mild CCOC(=O)c1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1O ZINC000587886195 II Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1C(C)(C)CN2 ZINC000587886423 II Annotated Mild COc1cc2nc(Cl)ncc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886457 II Annotated Mild CCOC(=O)c1oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1N ZINC000587886519 II Annotated Mild CCOC(=O)c1ccnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886549 II Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c(=O)c3c([nH]c12)CCC3 ZINC000587886571 II Annotated Mild COC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OC)c2o1 ZINC000587886598 II Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc[nH]c12 ZINC000587886654 II Annotated Mild CCN(CC)CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886669 II Annotated Mild CC1(C)CNc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(C(=O)O)c21 ZINC000587886744 II Annotated Mild CC(C)[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587886775 II Annotated Mild CC(C)[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587886777 II Annotated Mild COC(=O)c1cc2ncccc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886846 II Annotated Mild COc1cc2oc(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886911 II Annotated Mild O=C(O)CCn1ccc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886924 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c3c(cccc3c1)C(=O)OC2=O ZINC000587886941 II Annotated Reactive COC(=O)c1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886949 II Annotated Mild COC(=O)c1cnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1 ZINC000587886999 II Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Oc1ccccc1 ZINC000587887185 II Annotated Mild O=Cc1cccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587887196 II Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1NCc1ccccc1 ZINC000587887216 II Annotated Mild N#Cc1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887230 II Annotated Mild CN(C)CC(C)(C)CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887231 II Annotated Mild CN(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887279 II Annotated Mild COc1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887425 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCc2ccccn2)nc1 ZINC000587887555 II Annotated Mild CC(C)(C)OC(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887624 II Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887628 II Annotated Mild O=Cc1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887631 II Annotated Mild CC(C)(C)CNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887651 II Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1C(=O)c1ccncc1 ZINC000587887871 II Annotated Mild CCCc1nnc(-c2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587887964 II Annotated Mild CC1(C)Cc2cc(CC#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2O1 ZINC000587888006 II Annotated Mild CCCCn1nnc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888071 II Annotated Mild CCn1c(C)nc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888143 II Annotated Mild CN(C)c1[nH]c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1C=O ZINC000587888151 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2c1OCC2 ZINC000587888202 II Annotated Mild CC(=O)Oc1ccc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1 ZINC000587888255 II Annotated Mild CCn1c(C)nc2cc(C(=O)O)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888306 II Annotated Mild COc1ccc2cc(CN)ccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888369 II Annotated Mild Cc1cc([N+](=O)[O-])cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 ZINC000587888396 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(c1)CCO2 ZINC000587888437 II Annotated Mild Cc1cc(C(=O)O)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2n1 ZINC000587888456 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(Br)cncc2c1 ZINC000587888472 II Annotated Mild COC(OC)c1cc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2o1 ZINC000587888535 II Annotated Mild CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)[nH]c12 ZINC000587888618 II Annotated Mild COc1ccc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc(C=O)c2n1 ZINC000587888643 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(C(=O)O)cc2ccccc12 ZINC000587888753 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(Br)ncc2c1 ZINC000587888775 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]cc(Br)c2c1 ZINC000587888795 II Annotated Mild CC(C)(C)OC(=O)Oc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888897 II Annotated Mild COC(OC)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2o1 ZINC000587888903 II Annotated Mild CC(C)(C)OC(=O)NCc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888964 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc2cc(Br)cnc12 ZINC000587888985 II Annotated Mild CCOC(=O)c1[nH]c2ccc(C)nc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888988 II Annotated Mild CCOC(=O)c1[nH]c2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888993 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nccc(Br)c2n1 ZINC000587889057 II Annotated Mild CC(C)(C)OC(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 ZINC000587889073 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(Cl)nc(Cl)nc2c1 ZINC000587889159 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c(Cl)nc(Cl)c1-2 ZINC000587889200 II Annotated Mild CC(C)(C)OC(=O)Nc1cccnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889201 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(ccn2Cc2ccccc2)n1 ZINC000587889330 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2nc(O)n(C3CCCC3)c2c1 ZINC000587889360 II Annotated Mild CC(C)(C)OC(=O)Nc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587889414 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(Br)ccnc2c1 ZINC000587889506 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc2ccc(Br)nc12 ZINC000587889550 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncccc1OCCc1ccccn1 ZINC000587889551 II Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 ZINC000587889555 II Annotated Mild CCOC(=O)c1cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587889575 II Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ncc(O)c2o1 ZINC000587889604 II Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ncc(C=O)c2o1 ZINC000587889637 II Annotated Mild CC(C)(C)OC(=O)NCc1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587889662 II Annotated Mild COc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)C(C)(C)C)c1 ZINC000587889704 II Annotated Mild CC(C)(C)OC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890184 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NCc2ccccc2)o1 ZINC000587890401 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(Br)n2c1 ZINC000587890945 II Annotated Mild CCOC(=O)C(F)(F)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587890991 II Annotated Mild CCOC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2c1 ZINC000587891107 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CC(=O)C(F)(F)F)cc1 ZINC000587891113 II Annotated Mild N=C1N=C2C=CC(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)=CN2Cc2ccccc21 ZINC000587891294 II Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891385 II Annotated Mild COc1ccc([C@H](O)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891387 II Annotated Mild COc1ccc([C@@H](O)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891388 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(C(=O)O)c1 ZINC000587891401 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1OC(F)(F)F ZINC000587891406 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(OC(F)(F)F)cccc1C(=O)O ZINC000587891417 II Annotated Mild O=Cc1cc(OC(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891460 II Annotated Mild O=Cc1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891485 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1C(=O)O ZINC000587891495 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CO)c(OC(F)(F)F)c1 ZINC000587891530 II Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC(F)F ZINC000587891533 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)F)c(C(=O)O)c1 ZINC000587891556 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CO)ccc1OC(F)(F)F ZINC000587891737 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)cc(C(=O)O)c1 ZINC000587891746 II Annotated Mild O=Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891752 II Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1O ZINC000587891757 II Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891760 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(CO)c1 ZINC000587891777 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[S@](=O)CC(F)F ZINC000587891790 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[S@@](=O)CC(F)F ZINC000587891791 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc2nc(O)[nH]c12 ZINC000587891821 II Annotated Mild O=Cc1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891934 II Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)c1 ZINC000587891961 II Annotated Mild NCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587892002 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)ccc1OC(F)(F)F ZINC000587892007 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587892078 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(F)(F)F)cn2c1 ZINC000587892095 II Annotated Mild O=CNc1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892113 II Annotated Mild N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)c1 ZINC000587892117 II Annotated Mild O=Cc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587892140 II Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c1OC(F)F ZINC000587892154 II Annotated Mild Nc1cc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587892157 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c(C(=O)O)c1 ZINC000587892199 II Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c(C(F)(F)F)c1 ZINC000587892201 II Annotated Mild COc1ccc([C@H](N)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892256 II Annotated Mild COc1ccc([C@@H](N)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892257 II Annotated Mild COc1ccc(C(=O)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892261 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)c2[nH]cnc2c1 ZINC000587892367 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1[nH]nc2ccc(OC(F)(F)F)cc12 ZINC000587892384 II Annotated Mild Nc1c([N+](=O)[O-])ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(F)(F)F ZINC000587892398 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000587892426 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1C(=O)O ZINC000587892441 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(O)c(C(F)(F)F)c1 ZINC000587892488 II Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1O ZINC000587892536 II Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587892561 II Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000587892579 II Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000587892582 II Annotated Mild Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892697 II Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)cc1C(F)(F)F ZINC000587892706 II Annotated Mild Nc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892712 II Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000587892762 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1C(=O)O ZINC000587892786 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(O)c1C(F)(F)F ZINC000587892857 II Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587893157 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c([C@@H](O)C(F)(F)F)c1 ZINC000587893165 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c([C@H](O)C(F)(F)F)c1 ZINC000587893167 II Annotated Mild Nc1ccc(C(=O)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893176 II Annotated Mild Nc1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC(F)(F)F ZINC000587893202 II Annotated Mild Nc1cc(C(F)(F)F)c(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893239 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)c(C(F)(F)F)c1 ZINC000587893262 II Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1N ZINC000587893264 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@@H](O)C(F)(F)F)cc1 ZINC000587893300 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@H](O)C(F)(F)F)cc1 ZINC000587893301 II Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)C(F)(F)F ZINC000587893323 II Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1F ZINC000587893559 II Annotated Mild CCOC(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894474 II Annotated Mild CCOC(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894475 II Annotated Mild CC(C)(C)NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894600 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC2CCOCC2)c(F)c1 ZINC000587894701 II Annotated Mild COC(=O)C(C)(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894711 II Annotated Mild [N-]=[N+]=NCC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894718 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCCl)c(F)c1 ZINC000587894748 II Annotated Reactive Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c(S(=O)(=O)Cl)c1 ZINC000587894946 II Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SC2CCOCC2)nc1 ZINC000587895738 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)O)c1Br ZINC000587895769 II Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587895790 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1/C=C/S(=O)(=O)Cl ZINC000587895813 II Annotated Unstable O=Cc1csc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587895932 II Annotated Mild O=Cc1scc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587895954 II Annotated Mild CCn1c(S)nnc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895963 II Annotated Mild Nc1ccccc1Sc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587896010 II Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587896030 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(/C=C/S(=O)(=O)Cl)c1 ZINC000587896167 II Annotated Unstable Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)s1 ZINC000587896187 II Annotated Unstable CC(C)CS(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896267 II Annotated Mild COC(=O)c1cc2c(F)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587896381 II Annotated Mild O=Cc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587896492 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1C(=O)CBr ZINC000587896536 II Annotated Reactive Nc1nc2cc(F)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(F)c2s1 ZINC000587896638 II Annotated Mild CSc1nc(O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587896754 II Annotated Mild CC(C)CS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896822 II Annotated Mild O=Cc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896877 II Annotated Mild N#Cc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896887 II Annotated Mild Cc1cc(S(=O)(=O)Cl)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897014 II Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)sc1Br ZINC000587897019 II Annotated Mild O=Cc1csc(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897130 II Annotated Mild Nc1ccc(Sc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587897240 II Annotated Mild CCOC(=O)CSc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897335 II Annotated Mild NCc1csc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897383 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)sc1C(=O)O ZINC000587897399 II Annotated Mild COc1ccc(-c2csc(N)n2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897434 II Annotated Mild Cc1nc(N)sc1Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897560 II Annotated Mild Nc1nc(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897611 II Annotated Mild Nc1nc(Cc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897662 II Annotated Mild Nc1nc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897891 II Annotated Mild O=C(O)CCCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897897 II Annotated Mild Nc1ncc(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587897977 II Annotated Mild COC(=O)c1sc2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1C ZINC000587898068 II Annotated Mild COc1ccc(-c2cnc(N)s2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587898079 II Annotated Mild Nc1c(C(=O)O)sc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587898112 II Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@H]1NCCS1 ZINC000587898423 II Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@@H]1NCCS1 ZINC000587898424 II Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2s1 ZINC000587898449 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CN3CCSC3=N2)cc1 ZINC000587898554 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CN3CCSC3=N2)cc1 ZINC000587898557 II Annotated Mild CCOC(=O)c1nsc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587898579 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(O)c(C(=O)O)sc2c1 ZINC000587898583 II Annotated Mild CCOC(=O)c1cc2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587898608 II Annotated Mild COC(=O)c1sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1N ZINC000587898665 II Annotated Mild COC(=O)c1sc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1N ZINC000587898710 II Annotated Mild Cc1cnc(NC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)s1 ZINC000587898730 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)c2nccs2)cc1 ZINC000587898963 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)c2nccs2)cc1 ZINC000587898964 II Annotated Mild COc1ccc([C@H]2NCCS2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587899129 II Annotated Mild COc1ccc([C@@H]2NCCS2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587899131 II Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Nc2nnc(S)s2)c1 ZINC000587899166 II Annotated Mild N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1N1CCSCC1 ZINC000587899170 II Annotated Mild O=C(O)CCc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2s1 ZINC000587899234 II Annotated Mild N#Cc1cc2nc(S)sc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587899243 II Annotated Mild Nc1ncc(Cc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587899264 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)c(Br)c1N ZINC000587899318 II Annotated Mild CCOC(=O)c1c(C)c(C#Cc2cc(Cl)ccc2OC)c(O)c(Br)c1O ZINC000587899348 II Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(Br)cc(Br)c1N ZINC000587899375 II Annotated Mild COc1ccc(Cl)cc1C#Cc1c(CBr)n(C)n(-c2ccccc2)c1=O ZINC000587899579 II Annotated Reactive COc1ccc(Cl)cc1C#CCc1c(Br)c(=O)n(-c2ccccc2)n1C ZINC000587899627 II Annotated Mild CCOC(=O)C(=CNc1ccc(C#Cc2cc(Cl)ccc2OC)c(C)c1)C(=O)OCC ZINC000587900302 II Annotated Mild CCOC(=O)c1c(C)c(Br)c(O)c(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587900505 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1NC(=O)[C@@H](C#N)C(C)=O ZINC000587901244 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1NC(=O)[C@H](C#N)C(C)=O ZINC000587901245 II Annotated Mild COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])nn(Cc2cc(C=O)ccc2OC)c1C ZINC000587902796 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 ZINC000587908188 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 ZINC000587908195 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)nc1C(=O)Oc1ccc(Cl)cc1C=O ZINC000587908903 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2oc(=O)c(C(=O)O)cc2c1 ZINC000587910258 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000587910877 II Annotated Mild COC(=O)/C=C/c1cnc(C#Cc2cc(Cl)ccc2OC)c(NC(=O)C(C)(C)C)c1 ZINC000587910896 II Annotated Mild COC(=O)/C=C\c1cnc(C#Cc2cc(Cl)ccc2OC)c(NC(=O)C(C)(C)C)c1 ZINC000587910897 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c2[nH]cc(C(=O)O)c(=O)c12 ZINC000587911749 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c2c(=O)c(C(=O)O)c[nH]c12 ZINC000587911859 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2nc(C(=O)NOCC3CCCCC3)cn2c1 ZINC000587912451 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])CCN(C(=O)C(F)(F)F)C2 ZINC000587912631 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000587913748 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F ZINC000587913877 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C)c1OS(=O)(=O)C(F)(F)F ZINC000587914453 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccc2[nH]nc(I)c2c1F ZINC000587917129 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2occ(I)c(=O)c2c1 ZINC000587917379 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2[nH]nc(I)c2cc1F ZINC000587917508 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(OC)c(C=O)c1 ZINC000587917738 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)c(I)nn2C ZINC000587917769 II Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c(I)c([N+](=O)[O-])c1 ZINC000587917805 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc([N+](=O)[O-])c1I ZINC000587917819 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn([C@@H]2CCCCO2)c1I ZINC000587917918 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn([C@H]2CCCCO2)c1I ZINC000587917921 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(I)c(=O)c2c1 ZINC000587918001 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nc(O)oc2c(Cl)c1S(=O)(=O)Cl ZINC000587918209 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1sc(S(=O)(=O)Cl)cc1Br ZINC000587918226 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1c(Br)csc1S(=O)(=O)Cl ZINC000587918305 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(Br)s1 ZINC000587918310 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1csc(S(=O)(=O)Cl)c1Br ZINC000587918326 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1sc(Br)cc1S(=O)(=O)Cl ZINC000587918456 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)sc1Br ZINC000587918486 II Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccc(C)cc1NS(=O)(=O)c1cccc(N)c1 ZINC000587918497 II Annotated Mild CCOCCCn1c(S)nc2ccc(C#Cc3cc(Cl)ccc3OC)cc2c1=O ZINC000587919066 II Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000587919284 II Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(S(=O)(=O)c2ccc(C)cc2)c2ncccc12 ZINC000587919334 II Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000587919574 II Annotated Mild CCOc1cc(/C=C2\SC(=S)NC2=O)c(C#Cc2cc(Cl)ccc2OC)cc1O ZINC000587920190 II Annotated Mild CCOc1cc(/C=C2/SC(=S)NC2=O)c(C#Cc2cc(Cl)ccc2OC)cc1O ZINC000587920191 II Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000587920287 II Annotated Mild Cc1cc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)c(C)n1-c1ccccc1F ZINC000587922254 II Annotated Clean CCN(c1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1)S(C)(=O)=O ZINC000587922260 II Annotated Anodyne CCN(c1ccc(-c2csc(Cc3nc4ccccc4n3C)n2)cc1)S(C)(=O)=O ZINC000587922329 II Annotated Anodyne CCN(c1ccc(-c2csc(C[C@@H](C)NC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000587922343 II Annotated Anodyne CCN(c1ccc(-c2csc(CC(=O)Nc3ccc(Cl)cc3)n2)cc1)S(C)(=O)=O ZINC000587922549 II Annotated Anodyne CCN(c1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O ZINC000587922863 II Annotated Reactive CCN(c1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O ZINC000587922867 II Annotated Reactive CCN(c1ccc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000587922929 II Annotated Anodyne CCN(c1ccc(-c2csc(Cc3cn4cccc(C)c4n3)n2)cc1)S(C)(=O)=O ZINC000587923048 II Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)cc1)S(C)(=O)=O ZINC000587923539 II Annotated Anodyne CCN(c1ccc(-c2csc(CCN(C)C(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000587923566 II Annotated Anodyne C[C@H](Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)n1ccc(C(F)(F)F)n1 ZINC000587923569 II Annotated Anodyne C[C@@H](Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)n1ccc(C(F)(F)F)n1 ZINC000587923570 II Annotated Anodyne CCN(c1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1)S(C)(=O)=O ZINC000587923594 II Annotated Anodyne CCN(c1ccc(-c2csc(CCn3nc(C)c(Cl)c3C)n2)cc1)S(C)(=O)=O ZINC000587923595 II Annotated Anodyne Cc1cc2ncn(CCc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)c2cc1C ZINC000587923743 II Annotated Anodyne C[C@H](Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)n1ccc(C(F)(F)F)n1 ZINC000587923827 II Annotated Anodyne C[C@@H](Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)n1ccc(C(F)(F)F)n1 ZINC000587923830 II Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)cc1 ZINC000587923831 II Annotated Anodyne CN(c1ccc(-c2csc(CC(=O)Nc3ccc(Cl)cc3)n2)cc1)S(C)(=O)=O ZINC000587923984 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 ZINC000587924115 II Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 ZINC000587924116 II Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)c1 ZINC000587924330 II Annotated Clean C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587924868 II Annotated Mild C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587924873 II Annotated Mild COC(=O)c1ccc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(O[C@H]2CCOC2)c1 ZINC000587926333 II Annotated Anodyne COC(=O)c1ccc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(O[C@@H]2CCOC2)c1 ZINC000587926334 II Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000587926379 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 ZINC000587926907 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 ZINC000587926912 II Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587926939 II Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587926942 II Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000587927725 II Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000587927726 II Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587928184 II Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587928185 II Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(OC)c1 ZINC000587928381 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCCc3ccc(OC)cc3OC)nc2c1 ZINC000587928884 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C/C=C\c3ccc(OC)cc3OC)nc2c1 ZINC000587929769 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C/C=C/c3ccc(OC)cc3OC)nc2c1 ZINC000587929771 II Annotated Anodyne COc1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587930451 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c1 ZINC000587933656 II Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(N)cc3)c2O)cn1 ZINC000587934182 II Annotated Anodyne COc1cc(C#N)c(OC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934215 II Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587934308 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587934310 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587934311 II Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587934312 II Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 ZINC000587934706 II Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935216 II Annotated Mild CN1CCN(c2ccc(-n3c(O)cc(-c4ccccc4)c3O)cc2Br)CC1 ZINC000587935236 II Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587935312 II Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3ccc(N4CCN(C)CC4)c(Br)c3)c2O)cc1 ZINC000587935337 II Annotated Anodyne COc1ccc(C2(c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935569 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 ZINC000587935737 II Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OC)cc(C(=O)OC)c1OC ZINC000587935803 II Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587935864 II Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587935865 II Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587935866 II Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587935867 II Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(C4CCCCC4)c3O)cc2Br)CC1 ZINC000587936071 II Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OCC ZINC000587936249 II Annotated Bother COC(=O)c1cc(-n2c(O)cc(-c3ccc(N)cc3)c2O)c(Cl)cc1Br ZINC000587936393 II Annotated Anodyne CN1CCN(c2ccc(-n3c(O)ccc3OCc3ccccc3)cc2Br)CC1 ZINC000587936652 II Annotated Anodyne COc1ccc(C2(c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936654 II Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccc(F)cc4)c3O)cc2Br)CC1 ZINC000587936707 II Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccccc4F)c3O)cc2Br)CC1 ZINC000587936877 II Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937279 II Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937281 II Annotated Bother CCOc1cc(C=O)c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937711 II Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4cccc(F)c4)c3O)cc2Br)CC1 ZINC000587937941 II Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587938738 II Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587938739 II Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587938740 II Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587938741 II Annotated Anodyne Cc1ncc(-n2c(O)cc(-c3cccc(Br)c3)c2O)nc1Br ZINC000587939107 II Annotated Anodyne Cc1ncc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)nc1Br ZINC000587939183 II Annotated Anodyne COc1cccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)c1 ZINC000587939304 II Annotated Anodyne Cc1ncc(-n2c(O)cc(-c3ccccc3Br)c2O)nc1Br ZINC000587939385 II Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(C(=O)O)ncc2Br)s1 ZINC000587939424 II Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 ZINC000587939535 II Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(Br)cnc1Br ZINC000587939589 II Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1OCC ZINC000587939720 II Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c[nH]cc(Br)c1=O ZINC000587940058 II Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940094 II Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1Br ZINC000587940122 II Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 ZINC000587940135 II Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cc3cnccc3c(Br)n2)c1OCC ZINC000587940863 II Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1cc(Br)cnc1Br ZINC000587940959 II Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 ZINC000587941138 II Annotated Anodyne CCOc1cc(-n2c(OCC)cc([C@@H](C)[N+](=O)[O-])c2OCC)c(Cl)cc1C(=O)O ZINC000587941385 II Annotated Bother CCOc1cc(-n2c(OCC)cc([C@H](C)[N+](=O)[O-])c2OCC)c(Cl)cc1C(=O)O ZINC000587941387 II Annotated Bother O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)cc1 ZINC000587941573 II Annotated Bother C=CCOc1c(-c2ccccc2)cc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941936 II Annotated Mild CCOc1cc(CC(C)=O)c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587941956 II Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587941958 II Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(C(=O)O)ncc2Br)cc1 ZINC000587942242 II Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc2cnccc2c(Br)n1 ZINC000587942267 II Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc2cnccc2c(Br)n1 ZINC000587942270 II Annotated Bother COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OC ZINC000587943015 II Annotated Anodyne CC(=O)SCc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943606 II Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587944488 II Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944518 II Annotated Anodyne COc1ccc(-c2cc(O)n(-c3n[nH]c(-c4ccccc4F)n3)c2O)cc1Br ZINC000587944522 II Annotated Anodyne CC(=O)SCc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945450 II Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(I)cnc(Cl)c3[nH]1)CC2 ZINC000587945470 II Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)CC2 ZINC000587945472 II Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(C2CCCCC2)c1O ZINC000587945500 II Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945797 II Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)ccc1OCc1ccccc1 ZINC000587945988 II Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587946040 II Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1 ZINC000587946093 II Annotated Bother Oc1cc(-c2ccccc2Br)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587946213 II Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946277 II Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946387 II Annotated Mild C=C(C)C(=O)OCCOc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946823 II Annotated Mild O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587946889 II Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587946891 II Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587948646 II Annotated Reactive CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c([N+](=O)[O-])c4[nH]1)(C3)C2 ZINC000587949612 II Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587949702 II Annotated Mild CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]1)(C3)C2 ZINC000587949763 II Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc([N+](=O)[O-])c4[nH]1)(C3)C2 ZINC000587949820 II Annotated Bother CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(I)cc4[nH]1)(C3)C2 ZINC000587949891 II Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(I)c4[nH]1)(C3)C2 ZINC000587950547 II Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc5c(c4[nH]1)C(=O)c1ccccc1C5=O)(C3)C2 ZINC000587951030 II Annotated Clean CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(C(=O)O)c4[nH]1)(C3)C2 ZINC000587951117 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)nc2c1 ZINC000587951376 II Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000587951658 II Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000587951662 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3CCC(OC[C@H](C)OC)CC3)nc2c1 ZINC000587952399 II Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3CCC(OC[C@@H](C)OC)CC3)nc2c1 ZINC000587952400 II Annotated Anodyne C=CCC(C)(C)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587954283 II Annotated Mild CC[C@@]1(Cc2nc3cc(I)cnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959525 II Annotated Anodyne CC[C@]1(Cc2nc3cc(I)cnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959527 II Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587960390 II Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587960527 II Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587960600 II Annotated Anodyne CC[C@]1(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC(=O)c2ccccc2C1 ZINC000587962193 II Annotated Anodyne CC[C@@]1(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC(=O)c2ccccc2C1 ZINC000587962197 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c2c1 ZINC000587962651 II Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c2c1 ZINC000587962653 II Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C=C3CCC3)nc1-2 ZINC000587964908 II Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)nc(N)nc2[nH]1 ZINC000587965390 II Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)nc(N)nc2[nH]1 ZINC000587965395 II Annotated Mild O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Br)cnc(Br)c4[nH]1)(C3)C2 ZINC000587968385 II Annotated Anodyne O=C(O)/C=C/C=C\c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587969055 II Annotated Anodyne O=C(O)/C=C/C=C/c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587969057 II Annotated Anodyne COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(F)c1 ZINC000059083595 II Annotated Anodyne COc1nc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000059103023 II Annotated Anodyne COc1cc(Nc2cc(C#N)cn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000059150813 II Annotated Mild C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000059260771 II Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000059260774 II Annotated Anodyne C/C(=N/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccco1 ZINC000059365587 II Annotated Mild Cc1ccc(N(C(=O)c2ccco2)C2CCN(CC[C@H](O)C3CCCCC3)CC2)nc1 ZINC000059554952 II Annotated Anodyne in-vivo Cc1ccc(N(C(=O)c2ccco2)C2CCN(CC[C@@H](O)C3CCCCC3)CC2)nc1 ZINC000059554953 II Annotated Anodyne in-vivo CC(C)(O)CC[C@H]1C(=O)c2c(O)cc3c(c2O[C@@H]1c1ccc(O)cc1O)C=CC(C)(C)O3 ZINC000059586748 II Annotated Anodyne in-vitro biogenic CCN(C[C@@H]1CCCCN1)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000059901502 II Annotated Anodyne CCN(C[C@H]1CCCCN1)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000059901505 II Annotated Anodyne COc1cc(/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc(OC)c1OC ZINC000006001800 II Annotated Anodyne CC(C)=C[C@H](C)[C@@H]([C@H](O)CCC1(c2ccoc2)OCCO1)S(=O)(=O)c1ccccc1 ZINC000006002822 II Annotated Anodyne CC(C)=C[C@H](C)[C@H]([C@H](O)CCC1(c2ccoc2)OCCO1)S(=O)(=O)c1ccccc1 ZINC000006002827 II Annotated Anodyne O=c1c2c3c(sc2nc2n1N=C(c1ccc(Br)cc1)CS2)CCCC3 ZINC000006005400 II Annotated Anodyne CCOn1c(C2(CC3CCN(C(=O)c4ccccc4)CC3)OCCO2)cc2ccccc21 ZINC000006010302 II Annotated Anodyne O=c1c(/C=C/c2c(O)ccc3ccccc23)nnc2sc(-c3cccc([N+](=O)[O-])c3)nn12 ZINC000006018779 II Annotated Bother CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1 ZINC000006040194 II Annotated Bother COC(=O)C1=NN2c3ccccc3CN([C@@H](C)c3ccccc3)C(=O)[C@@H]2[C@H]1c1ccccc1 ZINC000006040254 II Annotated Anodyne COc1cc(Br)c(C[C@H]2C3=C(CCN2C(=O)C2CCC2)CC(=O)CC3)cc1O ZINC000006040606 II Annotated Anodyne Oc1ccc(Cl)cc1C1=Nn2c(COc3ccc4c(c3)CCCC4)nnc2SC1 ZINC000006041127 II Annotated Clean CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@H](C)CN[C@H]1[C@@H]2C ZINC000006202421 II Annotated Mild CCCCCCc1cc([S@](C)(=O)=NC(N)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 ZINC000060168545 II Annotated Bother COc1ccc(S(=O)(=O)n2c3c(c4cc(SC)ccc42)C[C@H](N(C)C)CC3)cc1 ZINC000060326089 II Annotated Anodyne COc1ccc(S(=O)(=O)n2c3c(c4cc(SC)ccc42)C[C@@H](N(C)C)CC3)cc1 ZINC000060326090 II Annotated Anodyne Oc1ccc(C[C@@H]2CNCCN2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000061711136 II Annotated Anodyne Oc1ccc(C[C@H]2CNCCN2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000061711151 II Annotated Anodyne CCCOc1ccc(/C=N\NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000061887859 II Annotated Reactive COc1ccc(C/N=C(\O)[C@@]2(C)Cc3c(-c4cccc(C(=N)O)c4)ccnc3O2)cc1OC ZINC000061895624 II Annotated Mild COc1ccc(C/N=C(\O)[C@]2(C)Cc3c(-c4cccc(C(=N)O)c4)ccnc3O2)cc1OC ZINC000061895625 II Annotated Mild O=C(NCC1CCOCC1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061895784 II Annotated Anodyne O=C(NCC1CCOCC1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061895785 II Annotated Anodyne CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)cc1 ZINC000061895819 II Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4ccc(OC)c(OC)c4)n3c2)c(OC)c1 ZINC000061895820 II Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061895858 II Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061895859 II Annotated Anodyne O=C(c1cnc(Cc2c[nH]c3ccccc23)c(I)c1)N1CCCCC1 ZINC000061896318 II Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2N(C)C)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 ZINC000061896588 II Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2cccc(Cl)c2)O3)cc1 ZINC000061896605 II Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2cccc(Cl)c2)O3)cc1 ZINC000061896607 II Annotated Anodyne Cc1noc(C)c1-c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c2occc12 ZINC000061896853 II Annotated Anodyne Cc1ccc(F)cc1C(=O)N1CCC[C@H](c2cc(C(=O)NCc3ccc(F)cc3)no2)C1 ZINC000061897922 II Annotated Anodyne Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2cc(C(=O)NCc3ccc(F)cc3)no2)C1 ZINC000061897923 II Annotated Anodyne Cn1c(=O)c2cc(NC(=S)NCc3ccccc3F)ccc2n1Cc1ccc(F)cc1 ZINC000061897925 II Annotated Anodyne COc1ccc(-c2cc(NC(C)=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)cn1 ZINC000061898126 II Annotated Anodyne O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061898235 II Annotated Anodyne O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061898237 II Annotated Anodyne CCCCN(C)C(=O)c1ccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)nc1 ZINC000061898768 II Annotated Anodyne CCCCN(C)C(=O)c1ccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)nc1 ZINC000061898769 II Annotated Anodyne Cc1nc2ccc(C(=O)N(C)Cc3ccco3)cn2c1N(C)C(=O)CCc1ccccc1 ZINC000061898876 II Annotated Anodyne Cc1cc(C)cc(Cn2c3ccc(NC(=O)NCc4ccc(F)cc4)cc3c(=O)n2C)c1 ZINC000061902295 II Annotated Anodyne Cc1c(C(=O)NCc2ccccc2C(F)(F)F)sc(=O)n1Cc1ccccc1C#N ZINC000061902375 II Annotated Mild CCc1nc2c(OCc3c(C)noc3C)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061902739 II Annotated Anodyne COc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cccc(C(=O)N(C)C)c3)n2c1 ZINC000061902841 II Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccc(C(C)=O)c2)O3)c1 ZINC000061903185 II Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(C(C)=O)c2)O3)c1 ZINC000061903186 II Annotated Anodyne CC(=O)Nc1ccc(CN(C)c2c(C)nc3ccc(C(=O)N(C)Cc4ccco4)cn23)cc1 ZINC000061903223 II Annotated Anodyne COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3cc(OC)ccc3OC)n2)cc1 ZINC000061903723 II Annotated Anodyne COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3cc(OC)ccc3OC)n2)cc1 ZINC000061903724 II Annotated Anodyne Cn1c(=O)c2cc(NC(=O)NCCc3cccs3)ccc2n1C/C=C/c1ccccc1 ZINC000061903761 II Annotated Anodyne Cn1nc(C2CC2)cc1NC(=O)[C@@]1(C)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061904706 II Annotated Anodyne Cn1nc(C2CC2)cc1NC(=O)[C@]1(C)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061904707 II Annotated Anodyne CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(N(C)C)cc4)cn23)c1 ZINC000061905238 II Annotated Anodyne CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4N(C)C)cn23)c1 ZINC000061905337 II Annotated Anodyne CN1CCN(c2ccc(-c3cc(NC=O)c4ncc(-c5ccc(F)cc5)n4c3)cc2)CC1 ZINC000061905359 II Annotated Anodyne N#Cc1cccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCO4)on2)c1 ZINC000061905749 II Annotated Mild N#Cc1cccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCO4)on2)c1 ZINC000061905750 II Annotated Mild CCc1nc2c(OC[C@@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061905913 II Annotated Anodyne CCc1nc2c(OC[C@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061905914 II Annotated Anodyne COc1cc(NC(=O)c2cc(-c3ccc(F)cc3OC(C)C)[nH]n2)cc(OC)c1OC ZINC000061905967 II Annotated Anodyne COc1cc(Cn2c3ccc(NC(=O)C[C@H](C)C(F)(F)F)cc3c(=O)n2C)ccc1F ZINC000061906246 II Annotated Anodyne COc1cc(Cn2c3ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc3c(=O)n2C)ccc1F ZINC000061906247 II Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C=O)CCC(C)C ZINC000061906998 II Annotated Anodyne COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@@H]3CCCO3)[nH]n2)c(C)c1 ZINC000061907477 II Annotated Anodyne COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@H]3CCCO3)[nH]n2)c(C)c1 ZINC000061907478 II Annotated Anodyne COc1ccc(Cl)cc1Cn1c(C)c(C(=O)N(C)Cc2ccc(F)cc2)sc1=O ZINC000061907488 II Annotated Anodyne CCc1nc2ccc(C(=O)N(C)CCN(C)C)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000061907963 II Annotated Anodyne CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cc(F)c(F)c(F)c4)cn23)c1 ZINC000061908285 II Annotated Anodyne CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)c1 ZINC000061908388 II Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)cc1 ZINC000061908444 II Annotated Anodyne Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3cc(C(=O)NCc4ccccc4)no3)C2)c1 ZINC000061908530 II Annotated Anodyne Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3cc(C(=O)NCc4ccccc4)no3)C2)c1 ZINC000061908531 II Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccccc1OC(F)F ZINC000061908741 II Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccccc1OC(F)F ZINC000061908742 II Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061920939 II Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061920940 II Annotated Anodyne CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(OC)c(OC)cc1c2=O ZINC000061921262 II Annotated Anodyne CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(OC)c(OC)cc1c2=O ZINC000061921263 II Annotated Anodyne COc1cc2nc3n(c(=O)c2cc1OC)-c1cc2ccccc2cc1C(=O)N[C@@H]3CC(C)C ZINC000061921305 II Annotated Anodyne COc1cc2nc3n(c(=O)c2cc1OC)-c1cc2ccccc2cc1C(=O)N[C@H]3CC(C)C ZINC000061921306 II Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061921535 II Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061921537 II Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921671 II Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921673 II Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921678 II Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921681 II Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923014 II Annotated Anodyne O=C(c1cccs1)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923026 II Annotated Anodyne O=C(c1cccs1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 ZINC000061923075 II Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccccc1 ZINC000061923122 II Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923149 II Annotated Anodyne O=C(c1cccs1)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923157 II Annotated Anodyne O=C(c1cccs1)N1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccccc1 ZINC000061923181 II Annotated Anodyne COc1ccc(N2CC(C)(C)[C@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000061923190 II Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NC2CCCC2)C1 ZINC000061923424 II Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NC2CCCC2)C1 ZINC000061923425 II Annotated Anodyne CSC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000061923605 II Annotated Anodyne CSC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000061923607 II Annotated Anodyne CSC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000061923642 II Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923884 II Annotated Anodyne O=C(c1cccs1)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923895 II Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccc(F)cc1 ZINC000061924202 II Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)Cc1ccc(Cl)cc1 ZINC000061924219 II Annotated Anodyne O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Br)cc1[C@@H]1CC[C@@H](O)C1 ZINC000061924257 II Annotated Anodyne O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Br)cc1[C@H]1CC[C@@H](O)C1 ZINC000061924258 II Annotated Anodyne COc1cc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)cc(OC)c1OC ZINC000061925556 II Annotated Anodyne COc1cc(NC(=O)c2cc(-c3cc(F)ccc3OC(C)C)[nH]n2)cc(OC)c1OC ZINC000061925612 II Annotated Anodyne COc1ccc(CNC(=O)Nc2ccc3c(c2)c(=O)n(C)n3Cc2cc(C)cc(C)c2)cc1 ZINC000061925675 II Annotated Anodyne Cc1cc(C)cc(Cn2c3ccc(NC(=O)NCCc4cccs4)cc3c(=O)n2C)c1 ZINC000061925718 II Annotated Anodyne Cn1nc(C2CC2)cc1NC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061925735 II Annotated Anodyne Cn1nc(C2CC2)cc1NC(=O)[C@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061925736 II Annotated Anodyne COc1cccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)c1 ZINC000061925940 II Annotated Anodyne COc1ccccc1-c1cc(NC(C)=O)c2ncc(-c3ccc(S(C)(=O)=O)cc3)n2c1 ZINC000061926485 II Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061926952 II Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061926953 II Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4ccc(OC)c(OC)c4)n3c2)cc1OC ZINC000061926965 II Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCc3ccc(S(C)(=O)=O)cc3)cccn12 ZINC000061927166 II Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061928122 II Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@H](N)c3ccccc3Cl)cs2)nc1C(F)(F)F ZINC000061928290 II Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)nc1C(F)(F)F ZINC000061928292 II Annotated Anodyne C/C(O)=N\c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 ZINC000061929373 II Annotated Mild C/C(O)=N\c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 ZINC000061929375 II Annotated Mild COc1cccc(-c2cnc3c(NC=O)cc(-c4cc(OC)c(OC)c(OC)c4)cn23)c1 ZINC000061929640 II Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn12 ZINC000061930275 II Annotated Anodyne O=S1(=O)c2ccc(Br)cc2N2CCC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000061931059 II Annotated Anodyne Cc1ccccc1C(=O)N1[C@@H](C(C)C)COc2cc(Br)ccc2S1(=O)=O ZINC000061931076 II Annotated Anodyne Cc1cccc(C(=O)N2[C@@H](C(C)C)COc3cc(Br)ccc3S2(=O)=O)c1 ZINC000061931079 II Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(N3CCCC3)c2S1(=O)=O ZINC000061931239 II Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(N3CCCC3)c2S1(=O)=O ZINC000061931241 II Annotated Anodyne C#CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccc(C)cc2)[C@H]1c1ccccc1Br ZINC000061936358 II Annotated Mild O=S(=O)(NCCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Br ZINC000061943372 II Annotated Anodyne CC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000061944552 II Annotated Anodyne C[C@@H](NC(=O)Cn1cnc2c(OCc3ccccc3)ncnc21)c1cccc2ccccc12 ZINC000061947313 II Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1S2(=O)=O ZINC000061948840 II Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccco3)CC(=O)N12 ZINC000061949400 II Annotated Anodyne O=C1CC[C@@H]2C[C@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1N=C3NC1CCCCC1 ZINC000061958538 II Annotated Bother O=C1CC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1N=C3NC1CCCCC1 ZINC000061958539 II Annotated Bother O=C1CCC[C@H]2[C@@H]3[C@@H](CCN13)C[C@@H](N1CCN(c3ccccc3)CC1)[C@@H]2Cc1ccccc1 ZINC000061958553 II Annotated Anodyne COc1ccc(-c2noc(CCCCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1 ZINC000061958744 II Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3ccccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061959417 II Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959493 II Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959495 II Annotated Anodyne Cc1nn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(O)c1N=Nc1ccc(C(N)=O)cc1 ZINC000617978367 II Annotated Clean COC(=O)c1c(C)[nH]c(-c2ccccc2)c1/C=C/C(O)=C1\C(=O)Oc2ccccc2C1=O ZINC000617985328 II Annotated Mild O=C(Nc1cccc2c1CCCC2)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000618005644 II Annotated Anodyne O=C(Nc1cccc2c1CCCC2)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000618005658 II Annotated Anodyne Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000618006350 II Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)OCc1ccccc1 ZINC000618007204 II Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)/C1=C(\O)OCc1ccccc1 ZINC000618007208 II Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1=C(O)CC(C)(C)CC1=N2 ZINC000618007212 II Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccc(Br)cc1)C1=C(O)CC(C)(C)CC1=N2 ZINC000618007215 II Annotated Anodyne CCN(CC)CCCNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C ZINC000618007523 II Annotated Anodyne CCCN1CCN(c2ncnc3sc(C(=O)Nc4cnc5ccccc5c4)c(C)c23)CC1 ZINC000618007524 II Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2C)nc2nncc-2c1O ZINC000618007525 II Annotated Anodyne CN(C)CCSSCCC(=O)NCc1ccccc1Sc1ccccc1CO ZINC000618007543 II Annotated Reactive CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000618008496 II Annotated Reactive CN(C)CCSSCCCNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000618008727 II Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4c[nH]c5ccccc45)c3)CC2)CC1 ZINC000618009219 II Annotated Anodyne Cn1ncnc1CCNC1CCN(c2cccc(-c3cc4cc(F)c(F)cc4[nH]3)c2)CC1 ZINC000618009324 II Annotated Anodyne CN(C)CCSSCCN(C)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000618009339 II Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)CC1 ZINC000618009401 II Annotated Clean CN(C)CCSSCCCNC(=O)[C@@H](c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000618009572 II Annotated Reactive CN(C)CCSSCCCNC(=O)[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000618009574 II Annotated Reactive CN1CCN(C(C)(C)CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009801 II Annotated Anodyne CCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010008 II Annotated Anodyne C[C@H]1CN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)C[C@@H](C)N1C ZINC000618010064 II Annotated Anodyne CN1CCN(CC2(NC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CC2)CC1 ZINC000618010348 II Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010376 II Annotated Anodyne C[C@H](C(=O)N(C)CCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 ZINC000618010556 II Annotated Reactive C[C@@H](C(=O)N(C)CCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 ZINC000618010557 II Annotated Reactive CNC(=O)c1ccc2c(/C(=N/c3cccc(CN(C)C)c3)c3ccccc3)c(O)[nH]c2c1 ZINC000618011664 II Annotated Mild O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC[C@@H](c2ccccn2)NC1=O ZINC000618013151 II Annotated Anodyne O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1CC[C@@H](c2ccccn2)NC1=O ZINC000618013152 II Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000618015182 II Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000618015183 II Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000618015184 II Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000618015185 II Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@@H]3N[C@H](SCCC(C)C)NC(=O)[C@H]32)o1 ZINC000618016306 II Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@@H]3N[C@@H](SCCC(C)C)NC(=O)[C@@H]32)o1 ZINC000618016307 II Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@@H]3N[C@H](SCCC(C)C)NC(=O)[C@@H]32)o1 ZINC000618016308 II Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@@H]3N[C@@H](SCCC(C)C)NC(=O)[C@H]32)o1 ZINC000618016309 II Annotated Anodyne O=C(c1ccccc1-c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 ZINC000618016802 II Annotated Anodyne O=C(c1ccccc1-c1ccccc1)N1CC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 ZINC000618016805 II Annotated Anodyne Cc1nc(N(C)C)cc([C@]2(C)CCCN(C(=O)c3ccnc(Oc4ccccc4F)c3)C2)n1 ZINC000618016828 II Annotated Anodyne Cc1nc(N(C)C)cc([C@@]2(C)CCCN(C(=O)c3ccnc(Oc4ccccc4F)c3)C2)n1 ZINC000618016831 II Annotated Anodyne O=C(COc1cccc(F)c1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 ZINC000618016855 II Annotated Anodyne O=C(c1cccc(Nc2ncccn2)c1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 ZINC000618016875 II Annotated Anodyne O=C(c1cccc(Nc2ncccn2)c1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 ZINC000618016880 II Annotated Anodyne O=C1NCCCCN(C(=O)c2ccc3nc[nH]c3c2)CCCCOc2ccc(Cl)cc21 ZINC000618018156 II Annotated Anodyne CN1CCCCN(C(=O)Cc2c[nH]c3ccccc23)CCOc2ccc(Cl)cc2C1=O ZINC000618018186 II Annotated Anodyne CN1CCCCN(C(=O)c2cccc3ncccc23)CCOc2ccc(Cl)cc2C1=O ZINC000618018260 II Annotated Anodyne CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cnc(C6CC6)nc5)[C@@H]4O)[C@@H]3CC[C@@H]12 ZINC000062179103 II Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@H](C[C@@H](O)c2ccccc2)S1(=O)=O ZINC000062224263 II Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@H](C[C@H](O)c2ccccc2)S1(=O)=O ZINC000062224266 II Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccc3occc3c2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225060 II Annotated Anodyne Clc1cccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)c1 ZINC000062225070 II Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000062241529 II Annotated Mild COC(=O)[C@@H](NC(=O)c1ccc(C(=O)N(CC(C)C)CC(C)C)cc1OC(C)C)C(C)C ZINC000062241596 II Annotated Anodyne C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2cnc(Br)s2)CC1 ZINC000062241900 II Annotated Mild C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2nc(Br)cs2)CC1 ZINC000062241903 II Annotated Mild c1ccc2c(Nc3ccc4c(c3)CCNC4)nnc(Nc3ccc(C4=NCCN4)cc3)c2c1 ZINC000062242133 II Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)/C(=N/CCS(=O)(=O)O)C=C1O ZINC000621430870 II Annotated Mild Brc1ccc2c(c1)Oc1cc(Br)ccc1N2CCc1nn[nH]n1 ZINC000621431865 II Annotated Clean O=C(CC1CCCCC1)N1CCN(c2ccc(-c3nn[nH]n3)cc2Cc2ccccc2)CC1 ZINC000621476141 II Annotated Anodyne O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1C(F)(F)F ZINC000621476381 II Annotated Bother COc1ccc(-c2ccc(F)cc2F)cc1C(=O)NCCSSCCN(C)C ZINC000621477305 II Annotated Reactive CN(C)CCSSCCN(C)C(=O)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000621477553 II Annotated Reactive CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000621485903 II Annotated Reactive C=CS(=O)(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000621486013 II Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2)c1cccc(Br)c1 ZINC000063539203 II Annotated Mild CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1c(C)cc2nc3ccccc3n2c1O ZINC000063539402 II Annotated Clean O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12 ZINC000063539555 II Annotated Anodyne Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1 ZINC000063540197 II Annotated Anodyne COc1ccc(Nc2nnc(-c3cn(C4CC4)c4c(OC)c(F)c(F)cc4c3=O)o2)cc1 ZINC000064235637 II Annotated Anodyne O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccc(Br)cc1 ZINC000064252025 II Annotated Anodyne O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc(Br)s1 ZINC000064274887 II Annotated Anodyne O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccccc1OC(F)(F)F ZINC000064277724 II Annotated Anodyne COc1cc(F)ccc1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000064303477 II Annotated Anodyne Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000064380884 II Annotated Anodyne C[C@]1(c2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccccc2)O1 ZINC000064380900 II Annotated Mild C[C@@]1(c2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccccc2)O1 ZINC000064380901 II Annotated Mild O=C(O)CCCC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064417449 II Annotated Mild O=c1c2ccccc2c(Cc2nnc(-c3ccsc3)o2)nn1Cc1ccc(Cl)nc1 ZINC000064436259 II Annotated Anodyne CSc1ccc(Cc2nn(CN3CCN(c4ccc(F)cc4)CC3)c(=S)o2)cc1 ZINC000064436267 II Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064437219 II Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064437221 II Annotated Mild CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21 ZINC000064447106 II Annotated Anodyne CCO[C@@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)C=C[C@]2(OO3)[C@H]1C ZINC000064447326 II Annotated Reactive CCO[C@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)C=C[C@]2(OO3)[C@H]1C ZINC000064447330 II Annotated Reactive COc1ccc(N2CCN(Cn3nc(Cc4ccc(SC)cc4)oc3=S)CC2)cc1 ZINC000064447490 II Annotated Clean CCCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21 ZINC000064453868 II Annotated Anodyne O=c1c2ccccc2c(Cc2nnc(-c3ccsc3)o2)nn1Cc1cnc(Cl)s1 ZINC000064453886 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(O)cc2n1-c1ccccc1 ZINC000064504093 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1 ZINC000064504095 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCOCC1 ZINC000064512892 II Annotated Anodyne CCCC#Cc1cc([C@@]2(c3ccc(OC(F)F)c(C)c3)NC(=N)N(C)C2=O)ccc1F ZINC000064513070 II Annotated Mild CC[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1 ZINC000064513174 II Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1cccs1)C(c1ccccc1)=NN2c1ccccc1 ZINC000064516436 II Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1cccs1)C(c1ccccc1)=NN2c1ccccc1 ZINC000064516438 II Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000064516630 II Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000064516632 II Annotated Anodyne Cc1ccc(S(=O)(=O)/C(=C/c2c(O)cc(O)cc2O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064516647 II Annotated Mild Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)OC(C)(C)OC3=O)o1 ZINC000064521346 II Annotated Anodyne Cc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)OC(C)(C)OC3=O)o1 ZINC000064521348 II Annotated Anodyne CCCCC1(CCCC)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 ZINC000064527501 II Annotated Anodyne Oc1ccc2[nH]c(CN3CCC(Cc4ccc(I)cc4)CC3)nc2c1 ZINC000064528012 II Annotated Anodyne Cc1cccc(-c2ccccc2)c1Nc1nc(N(C)Cc2ccc3c(c2)CCO3)[nH]c(=O)n1 ZINC000064528275 II Annotated Anodyne COc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064528337 II Annotated Anodyne CN(C)c1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1 ZINC000064539066 II Annotated Clean Cc1cccc(-c2ccccc2)c1Nc1nc(N(C)Cc2ccc3c(c2)OCO3)[nH]c(=O)n1 ZINC000064539319 II Annotated Anodyne O=C1OC2(CCC(CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 ZINC000064540256 II Annotated Anodyne Cc1nnc(N2CC3(CCC(CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 ZINC000064540493 II Annotated Anodyne Cc1cccc(-c2ccc(NCC3CCC4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 ZINC000064540686 II Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@@H](CC(Cl)(C5)C3)C4)CC2)nc1 ZINC000064548410 II Annotated Anodyne c1cc(-c2nc(SCCCN3CCCCC3)nn2CCCN2CCCCC2)ccn1 ZINC000064548576 II Annotated Anodyne CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 ZINC000064548899 II Annotated Anodyne O=C1OC2(CCC(CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 ZINC000064549317 II Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(-c3nnc(S)n3-c3ccccc3)cn(C3CC3)c12 ZINC000064549813 II Annotated Anodyne CCn1c2ccncc2c2cc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)ccc21 ZINC000064549828 II Annotated Anodyne CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4Cl)CC3)C2)cs1 ZINC000064559235 II Annotated Anodyne CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 ZINC000064559236 II Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(-c3nnc(S)n3-c3ccccc3C)cn(C3CC3)c12 ZINC000064559416 II Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(-c3nnc(S)n3-c3cccc(C)c3)cn(C3CC3)c12 ZINC000064559417 II Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3Cc4oc(CN5CCCCC5)cc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43 ZINC000064559574 II Annotated Anodyne O=c1c2cc(-c3ccccn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 ZINC000064559697 II Annotated Anodyne CCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1C ZINC000064559815 II Annotated Anodyne CCCCC/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc12 ZINC000064560100 II Annotated Mild Cc1ccnc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)n1 ZINC000064560588 II Annotated Anodyne CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2nc3sc4c(c3c(=S)n12)CCCC4 ZINC000064564460 II Annotated Bother O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccncc2)CC1 ZINC000064585880 II Annotated Anodyne OCCN1CCN(CC/C=C2/c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1 ZINC000064622550 II Annotated Anodyne world OCCN1CCN(CC/C=C2/c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1 ZINC000064622553 II Annotated Anodyne world 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]4CC(=O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000064693655 II Annotated Anodyne Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 ZINC000064721548 II Annotated Anodyne Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O ZINC000064746235 II Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000006529676 II Annotated Anodyne CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 ZINC000006576858 II Annotated Clean CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 ZINC000006576860 II Annotated Clean CS(=O)(=O)Nc1cccc([C@@]23CCC[C@@H](C2)N(CCCC2(O)CCCCC2)CC3)c1 ZINC000006716168 II Annotated Anodyne CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000006725157 II Annotated Anodyne CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000006725158 II Annotated Anodyne CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000006725159 II Annotated Anodyne CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000006725160 II Annotated Anodyne COc1ccc([C@H]2SC[C@@H](C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006797038 II Annotated Anodyne COc1ccc([C@H]2SC[C@H](C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006797040 II Annotated Anodyne COc1ccc([C@@H]2SC[C@@H](C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006797042 II Annotated Anodyne COc1ccc([C@@H]2SC[C@H](C(=O)NC(C)C)N2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006797044 II Annotated Anodyne CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)c2cc(C)ccc2O1 ZINC000006846999 II Annotated Anodyne CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)c2cc(C)ccc2O1 ZINC000006847002 II Annotated Anodyne C[C@H]1CCc2cc(C(=O)N3Cc4ccccc4C3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653614481 II Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N3Cc4ccccc4C3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653614482 II Annotated Anodyne C[C@H]1CCc2cc(-c3ccc(N4CCCC4)nn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653633831 II Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2cccc(C#N)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653663080 II Annotated Mild C[C@H]1CCc2cc(C(=O)N(C)Cc3cccs3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663535 II Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)c3cccc(F)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663547 II Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)c3cccc(F)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663548 II Annotated Anodyne Cc1nc(N)ccc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653664384 II Annotated Anodyne CC(C)Nc1nc2cc(C#N)ncc2nc1N1CCC(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000653665418 II Annotated Mild CCNc1cc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)ncn1 ZINC000653665419 II Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc(F)cc3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653667301 II Annotated Anodyne Cc1cn(-c2ccc(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)nn2)cn1 ZINC000653667440 II Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1 ZINC000653667969 II Annotated Anodyne COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1 ZINC000653668924 II Annotated Anodyne Cc1nccn1-c1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)nn1 ZINC000653669353 II Annotated Anodyne C[C@@H](CO)Nc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000653669543 II Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653670148 II Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ccncc4nc3NC3CC3)CC2)c1 ZINC000653670310 II Annotated Anodyne C[C@@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccccc1 ZINC000653672855 II Annotated Anodyne C[C@H](Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccccc1 ZINC000653672856 II Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3ccc(F)cc3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653674057 II Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ncccc4nc3NC3CC3)CC2)c1 ZINC000653674074 II Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(NC(=O)NC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653679367 II Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(NC(=O)NC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653679368 II Annotated Anodyne COc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653680378 II Annotated Anodyne CC(=O)Nc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1 ZINC000653682154 II Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)C(C)(C)c3cccnc32)CC1 ZINC000653682409 II Annotated Anodyne Cc1nc(N(C)C)nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c1C ZINC000653685705 II Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncccc2CO)cc1 ZINC000653686897 II Annotated Anodyne CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21 ZINC000653686910 II Annotated Mild COc1cc(N2C(=O)[C@H](Oc3ccccc3)[C@H]2c2ccc(C#N)cc2)cc(OC)c1OC ZINC000653687101 II Annotated Mild COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(C#N)cc2)cc(OC)c1OC ZINC000653687102 II Annotated Mild COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000653688549 II Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000653688550 II Annotated Anodyne COc1cccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000653688568 II Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000653691044 II Annotated Clean COc1ccc([C@@H]2[C@H](Oc3ccccc3)CN2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000653692829 II Annotated Clean Nn1c(S)nnc1COc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000653695791 II Annotated Anodyne Nn1c(S)nnc1COc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000653695792 II Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)[C@@H]5CCCN5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697100 II Annotated Anodyne CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(CO[C@@H]2CCCCO2)cc(C(=O)O)c1 ZINC000653699253 II Annotated Anodyne CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(CO[C@H]2CCCCO2)cc(C(=O)O)c1 ZINC000653699254 II Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)[C@H]5CCCN5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653699440 II Annotated Anodyne Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc(C)c1Cl ZINC000653700689 II Annotated Anodyne FC(F)(F)c1cccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)c1 ZINC000653702416 II Annotated Anodyne O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1 ZINC000653704153 II Annotated Mild NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)Cc2ccccc2)cc1 ZINC000653704628 II Annotated Anodyne NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)Cc2ccccc2)cc1 ZINC000653704629 II Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 ZINC000653706705 II Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3)O2)n1 ZINC000653706813 II Annotated Anodyne O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653707690 II Annotated Anodyne CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12 ZINC000653707852 II Annotated Anodyne CCc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl ZINC000653708470 II Annotated Anodyne CCCCCCCCCC(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C[C@H](C)O)OC=C3[C@@H]12 ZINC000653710207 II Annotated Mild N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCc3cc4ccccc4[nH]3)c2nc1C#N ZINC000653713059 II Annotated Mild CCCC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000653716268 II Annotated Anodyne CCCC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000653716269 II Annotated Anodyne CCCCNC[C@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000653717460 II Annotated Clean CCCCNC[C@@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000653717461 II Annotated Clean C=C(C)Cn1c(SCC(=O)N2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 ZINC000653718498 II Annotated Mild C=C(C)Cn1c(SCC(=O)N2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 ZINC000653718499 II Annotated Mild O=C(O)c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(O)cc2)ccc1O ZINC000653718836 II Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(O)cc2)ccc1O ZINC000653718837 II Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(O)cc2)ccc1O ZINC000653718838 II Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(O)cc2)ccc1O ZINC000653718839 II Annotated Anodyne O=C(/C=C\c1ccccc1[N+](=O)[O-])N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 ZINC000653719092 II Annotated Bother O=C(/C=C\c1ccccc1[N+](=O)[O-])N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 ZINC000653719093 II Annotated Bother O=C(c1ccc2c(c1)NC(=O)C21CCNCC1)N1c2ccccc2COc2cc(F)ccc21 ZINC000653719551 II Annotated Anodyne CCn1c(C2Cc3ccccc3C2)nnc1[C@H](O)CC(=O)Nc1cccc2ccccc12 ZINC000653723275 II Annotated Anodyne CCn1c(C2Cc3ccccc3C2)nnc1[C@@H](O)CC(=O)Nc1cccc2ccccc12 ZINC000653723276 II Annotated Anodyne Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])s2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000653725390 II Annotated Mild CC(C)(C)NC(=O)[C@@H]1c2cc(Cl)ccc2C(=O)N1C(c1cccnc1)c1cccnc1 ZINC000653725592 II Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2cc(Cl)ccc2C(=O)N1C(c1cccnc1)c1cccnc1 ZINC000653725593 II Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)c(OC)c1 ZINC000653726347 II Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)c(OC)c1 ZINC000653726348 II Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)c(OC)c1 ZINC000653726349 II Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)c(OC)c1 ZINC000653726350 II Annotated Anodyne COC[C@H](C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2C[C@H]1C ZINC000653729569 II Annotated Anodyne Cc1ccc([C@@]2(C(=O)N3CCC(n4nc(-c5ccccc5)oc4=O)CC3)CC2(C)C)cc1 ZINC000653729593 II Annotated Anodyne Cc1ccc([C@]2(C(=O)N3CCC(n4nc(-c5ccccc5)oc4=O)CC3)CC2(C)C)cc1 ZINC000653729594 II Annotated Anodyne O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2ccnc2)cc1 ZINC000653735681 II Annotated Anodyne O=C1C[C@@H](c2ccccc2Cl)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000653737501 II Annotated Bother CC1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2cc(Br)ccc2O)C1 ZINC000653745788 II Annotated Clean CC1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cc(Br)ccc2O)C1 ZINC000653745794 II Annotated Clean FC(F)(F)Oc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000653745797 II Annotated Anodyne CNS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1 ZINC000653747679 II Annotated Anodyne CCNS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1 ZINC000653747705 II Annotated Anodyne CCc1nccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653747918 II Annotated Anodyne Cc1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)n1 ZINC000653747920 II Annotated Anodyne COc1ccc(-c2ccc3[nH]cc(C(N)=O)c(=Nc4ccc(C(C)(C)C#N)cc4)c3c2)cn1 ZINC000653755607 II Annotated Mild CNC(=O)c1c[nH]c2ccc(-c3ccc(N)nc3)cc2c1=Nc1ccc(C(C)(C)C#N)cc1 ZINC000653755625 II Annotated Mild Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(C#N)cc1)CCN(Cc1ccccc1)C3 ZINC000653757827 II Annotated Mild COc1ccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1 ZINC000653757830 II Annotated Mild CN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5cccc(Cl)c5)cn34)c2)CC1 ZINC000653760510 II Annotated Anodyne Cc1cc(N)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653760522 II Annotated Anodyne CCc1nn2c(-c3ccc4c(c3)OCO4)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653760861 II Annotated Anodyne COC(=O)c1ccccc1-c1c2ccoc2c(OCCN2CCCC2)c2oc(=O)ccc12 ZINC000653760978 II Annotated Anodyne COC(=O)CN1CCc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21 ZINC000653762243 II Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2cc3c[nH]cnc-3n2)cc1 ZINC000653762264 II Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(C(F)(F)F)cn2)c2cc(-c3cccnc3)cnc12 ZINC000653765525 II Annotated Anodyne Clc1ccccc1-c1csc2nc(N3CCOCC3)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653765531 II Annotated Anodyne COC(=O)COc1ccc(F)c(CNc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000653767499 II Annotated Anodyne Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1 ZINC000653767513 II Annotated Anodyne Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCN(Cc1ccccc1)C3 ZINC000653767914 II Annotated Mild Cc1ncc(C)c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653769205 II Annotated Anodyne O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cc3ccccc3n2)n1 ZINC000653771374 II Annotated Anodyne CCCCS(=O)(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653774609 II Annotated Anodyne CCCCS(=O)(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653774610 II Annotated Anodyne O=C(c1ccccc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccncc1 ZINC000653778061 II Annotated Reactive Cc1ccc(Cn2cc(-n3c(S)nnc3-c3ccc(Cn4cccn4)cc3)cn2)cc1 ZINC000653778437 II Annotated Anodyne CCCc1cccc2c(-c3cnc(-c4ccc(COP(=O)(O)O)nc4)s3)n[nH]c12 ZINC000653780756 II Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3ccccc3Br)cc12 ZINC000653781721 II Annotated Bother Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3cccc(Br)c3)cc12 ZINC000653782747 II Annotated Bother O=C1CN(Cc2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)C(=O)N1c1ccccc1 ZINC000653783799 II Annotated Anodyne Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3Br)cc2)cn1 ZINC000653786062 II Annotated Anodyne O=C(COc1ccc(C(=O)c2cccc(F)c2Br)cc1)Nc1cccnc1 ZINC000653786066 II Annotated Anodyne O=C(COc1ccc(C(=O)c2cc(F)ccc2Br)cc1)Nc1cccnc1 ZINC000653786124 II Annotated Anodyne CCc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653787746 II Annotated Bother COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN[C@@H](C)c4ccccc4)c3O)O2)cc1O ZINC000653792879 II Annotated Clean COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN[C@H](C)c4ccccc4)c3O)O2)cc1O ZINC000653792881 II Annotated Clean COc1cc(/C=C(/C(=O)N2CCC=CC2=O)c2ccc(SC)cc2)cc(OC)c1OC ZINC000653795036 II Annotated Anodyne C[C@H](Cn1c(-c2c(F)cc(F)cc2F)c(Cl)nc(-n2cccn2)c1=O)C(F)(F)F ZINC000653795260 II Annotated Anodyne C[C@@H](Cn1c(-c2c(F)cc(F)cc2F)c(Cl)nc(-n2cccn2)c1=O)C(F)(F)F ZINC000653795263 II Annotated Anodyne C[C@]1(COc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653795610 II Annotated Bother O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1ccc(Cl)nn1 ZINC000653795611 II Annotated Anodyne Cc1ccncc1NC(=O)COc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000653796415 II Annotated Anodyne O=C(Nc1nnc(COC2CCCC2)s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000653798491 II Annotated Anodyne CCN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc2ccccc2c1 ZINC000653799984 II Annotated Anodyne N=C(N)Nc1ccc(CNc2c(-c3cccnc3)nc3ccc(C(F)(F)F)cn23)cc1 ZINC000653801257 II Annotated Anodyne c1cc(C2=NCCCN2)ccc1OCCCCCCOc1ccc(C2=NCCCN2)cc1 ZINC000653802053 II Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653804986 II Annotated Bother O=C(Nc1ccc(Cl)cc1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000653810882 II Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(N3CCCCC3)c(OC)c2)cc1OC ZINC000653812611 II Annotated Anodyne COc1ccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1OC ZINC000653825402 II Annotated Anodyne COc1ccc(OC)c(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1 ZINC000653825431 II Annotated Anodyne COc1ccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c(OC)c1 ZINC000653825915 II Annotated Anodyne Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000653829382 II Annotated Anodyne COCC[C@@H]1Sc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N=C1c1ccc(OC)cc1 ZINC000653830225 II Annotated Anodyne COCC[C@H]1Sc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N=C1c1ccc(OC)cc1 ZINC000653830226 II Annotated Anodyne COc1cccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1OC ZINC000653831370 II Annotated Anodyne CCCCCCCCn1cc(Cn2c(CC)nc3nc(C(F)(F)F)ccc3c2=O)nn1 ZINC000653843534 II Annotated Mild Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O ZINC000653844320 II Annotated Anodyne Cc1nc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1C ZINC000653846212 II Annotated Anodyne CCNC(=O)c1c(C)sc2nc([C@H](C)c3cccc(C(F)(F)F)c3F)cc(=O)n12 ZINC000653850711 II Annotated Anodyne CCNC(=O)c1c(C)sc2nc([C@@H](C)c3cccc(C(F)(F)F)c3F)cc(=O)n12 ZINC000653850712 II Annotated Anodyne O=C1[C@H]2CN(Cc3ccccc3)C[C@@H]2CN1c1cccc2c1cnn2-c1ccccc1F ZINC000653850820 II Annotated Anodyne O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2CN1c1cccc2c1cnn2-c1ccccc1F ZINC000653850821 II Annotated Anodyne O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2CN1c1cccc2c1cnn2-c1ccccc1F ZINC000653850822 II Annotated Anodyne O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2CN1c1cccc2c1cnn2-c1ccccc1F ZINC000653850823 II Annotated Anodyne CC(C)n1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21 ZINC000653851641 II Annotated Anodyne O=C(Nc1cnccn1)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653851905 II Annotated Anodyne O=C(Nc1cnccn1)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653851909 II Annotated Anodyne O=C(Oc1ccccc1)N1CCN(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653851941 II Annotated Anodyne O=C(Oc1ccccc1)N1CCN(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653851943 II Annotated Anodyne O=C(Nc1cccnn1)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653851981 II Annotated Anodyne O=C(Nc1cccnn1)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653851982 II Annotated Anodyne O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(F)cc1 ZINC000653859667 II Annotated Anodyne CC(C)CCN1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1 ZINC000653861140 II Annotated Anodyne COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000653861911 II Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl)c1ccccn1 ZINC000653863961 II Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl)c1ccccn1 ZINC000653863962 II Annotated Anodyne CCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O ZINC000653864000 II Annotated Mild CCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O ZINC000653864001 II Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cc(Cl)cs1 ZINC000653864105 II Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)s1 ZINC000653864171 II Annotated Anodyne Cn1nccc1-c1csc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1 ZINC000653864183 II Annotated Anodyne Cc1ccc(Cn2ccc3c(c(=O)ccn3-c3ccc(N)c(C(F)(F)F)c3)c2=O)cc1 ZINC000653866585 II Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H](C(=O)OCC)c1ccccc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866720 II Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@@H](C(=O)OCC)c1ccccc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866721 II Annotated Mild N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1)c1ccccn1 ZINC000653869574 II Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1)c1ccccn1 ZINC000653869575 II Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc2ncccc12 ZINC000653873020 II Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC(C)C ZINC000653874502 II Annotated Anodyne CCCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC ZINC000653874627 II Annotated Anodyne COc1cc2nc(NCCc3cccnc3)nc(Nc3cnc(OC)c(C)c3)c2cc1OC ZINC000653876635 II Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1)c1ccccn1 ZINC000653876649 II Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1)c1ccccn1 ZINC000653876650 II Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(C(F)(F)F)cc3)O2)n1 ZINC000653878778 II Annotated Anodyne CCN(CC)c1ccc2cc(-c3nnc(Nc4cc(OC)ccc4OC)o3)c(=O)oc2c1 ZINC000653882896 II Annotated Anodyne C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(N=[N+]=[N-])c4s3)CC2)O1 ZINC000653884573 II Annotated Mild COC(=O)[C@]12C[C@@H](OC(C)=O)[C@@]3(C)CC=C(COC(C)=O)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C ZINC000653884743 II Annotated Anodyne CO[C@@H](CO)Cc1csc(Nc2cc(-c3ccccc3C)c(C)cc2OCCN)n1 ZINC000653885971 II Annotated Anodyne CO[C@H](CO)Cc1csc(Nc2cc(-c3ccccc3C)c(C)cc2OCCN)n1 ZINC000653885973 II Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3C(F)(F)F)O2)n1 ZINC000653887153 II Annotated Anodyne N#Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3c(=O)n2-c2cccc(C(=O)O)c2)cc1 ZINC000653887854 II Annotated Mild Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c(C(F)(F)F)c1 ZINC000653889643 II Annotated Anodyne CC(C)[C@@]12C[C@@H](NC(=O)CF)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000653894820 II Annotated Anodyne NC(=O)c1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCCC[C@H]21 ZINC000653895422 II Annotated Anodyne CC(C)(C)OC(=O)NCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000653901771 II Annotated Mild CC(C)(C)OC(=O)NCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000653901772 II Annotated Mild CCO[C@@H](C)Oc1cc2ncnc(Nc3ccc(C)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653905734 II Annotated Bother CCO[C@H](C)Oc1cc2ncnc(Nc3ccc(C)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653905735 II Annotated Bother O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCCOc3ccccc3)O2)n1 ZINC000653905756 II Annotated Anodyne Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)oc1Cl ZINC000653912881 II Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1Cl ZINC000653912891 II Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@@H](C(=O)OCC)c1ccccc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653913916 II Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@H](C(=O)OCC)c1ccccc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653913917 II Annotated Mild Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)cc1C(F)(F)F ZINC000653915626 II Annotated Anodyne Cc1ccc(Cn2ccc3c(c(=O)ccn3-c3ccc(N)c(C(F)(F)F)c3)c2=O)c(C)c1 ZINC000653915672 II Annotated Anodyne NC(=O)c1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCCC[C@@H]21 ZINC000653916366 II Annotated Anodyne O=C(Nc1cccc(Cl)c1F)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000653919139 II Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1cccs1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000066058902 II Annotated Anodyne CCCC1=C(O[C@@]2(CCC)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066065904 II Annotated Mild CCCC1=C(O[C@]2(CCC)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066065905 II Annotated Mild CCCC1=C(O[C@@]2(CCC)C(=O)C(=O)C3=C(CCCC3)C2=O)C(=O)C2=C(CCCC2)C1=O ZINC000066065906 II Annotated Mild CCCC1=C(O[C@]2(CCC)C(=O)C(=O)C3=C(CCCC3)C2=O)C(=O)C2=C(CCCC2)C1=O ZINC000066065907 II Annotated Mild FC(F)(F)c1cccc(-n2cc(C3=NO[C@H](CN4CCOCC4)C3)c3ccccc32)c1 ZINC000066066169 II Annotated Anodyne FC(F)(F)c1cccc(-n2cc(C3=NO[C@@H](CN4CCOCC4)C3)c3ccccc32)c1 ZINC000066066170 II Annotated Anodyne Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CN(C)C)c2)c1 ZINC000066066407 II Annotated Anodyne CC(C)(C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1 ZINC000066074517 II Annotated Mild O=C(CNC1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CNC3CCCC3)cc2)cc1 ZINC000066075152 II Annotated Anodyne Cc1cc(C)c(-c2cncnc2N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)c(C)c1 ZINC000066075265 II Annotated Anodyne CCN(Cc1cc(-c2cnn(C)c2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1 ZINC000066075321 II Annotated Anodyne CC(=O)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4ccc[nH]4)ccc3O)CC2)cc1 ZINC000066077428 II Annotated Mild CC(=O)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4cccn4C)ccc3O)CC2)cc1 ZINC000066077429 II Annotated Mild Cc1cc(OCCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066077610 II Annotated Anodyne CN(C)CCNC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000066078686 II Annotated Anodyne O=C(O)c1cc(Br)cc(C(=O)/C=C/c2cc3c(cc2Cl)OCO3)c1O ZINC000066101447 II Annotated Mild CCCCCCN/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066103697 II Annotated Mild COc1cc(-c2nnc3n2CCCN3Cc2ccc(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000066103797 II Annotated Anodyne CCc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1Cc1ccccc1C2 ZINC000066103948 II Annotated Anodyne COCCN(C)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 ZINC000066105056 II Annotated Anodyne COc1cc(-c2nnc3n2CCCN3CCc2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066111531 II Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000066111799 II Annotated Anodyne OC[C@H]1CCCN1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 ZINC000066111972 II Annotated Anodyne COc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4c3cnn4-c3ccccc3F)n(C)n2)cc1 ZINC000066114576 II Annotated Anodyne COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4c3cnn4-c3ccccc3F)n(C)n2)cc1 ZINC000066114578 II Annotated Anodyne CC(C)CCNC(=O)[C@H](CCc1ccccc1)N/C=C1\C(=O)Nc2c(Cl)cccc21 ZINC000066123769 II Annotated Anodyne O=C(Nc1ccc(I)cc1)N1CCCN(Cc2ccccc2F)C1 ZINC000066124316 II Annotated Anodyne COC(=O)C1=C(C)N(CC2CC2)C(N(C)Cc2ccc(OC)cc2)=N[C@@H]1c1ccccc1 ZINC000066129087 II Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(CC3CCCCC3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066139057 II Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(CC3CCCCC3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066139060 II Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(CC3CCCCC3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066139062 II Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(CC3CCCCC3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066139066 II Annotated Anodyne O=C(O)CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)SC1=S ZINC000066148620 II Annotated Clean CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc(C(F)(F)F)c2)N/C1=N\CCc1ccccn1 ZINC000066156751 II Annotated Mild CCOC(=O)CN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 ZINC000066167159 II Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 ZINC000066167160 II Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(O[C@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 ZINC000066167161 II Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC[C@H](C)C(=O)S3)c(Br)c1 ZINC000066167164 II Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC[C@@H](C)C(=O)S3)c(Br)c1 ZINC000066167165 II Annotated Anodyne CC(=O)N[C@@H](C)c1cccc(-c2nc3c(nc(NCC(F)(F)F)c4ncn(C)c43)s2)c1 ZINC000066251305 II Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(N)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066251348 II Annotated Anodyne NC(=O)c1ccc2c(c1)CCCN2c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1 ZINC000066251879 II Annotated Anodyne O=C(CCNCCSSCCNCCC(=O)c1cccs1)c1cccs1 ZINC000066252071 II Annotated Reactive CC(C)(C)N(Cc1ccc(C(F)(F)F)cc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066252184 II Annotated Bother CC(C)(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066252185 II Annotated Bother CC(C)(C)N(Cc1ccccc1C(F)(F)F)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066252186 II Annotated Bother O=C(CCNCCSSCCNCCC(=O)c1ccsc1)c1ccsc1 ZINC000066252519 II Annotated Reactive COc1cc(/C=C/c2nc3cc(Br)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 ZINC000066252803 II Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cccc(O)c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066258918 II Annotated Anodyne Cc1c(-c2ccccc2Cl)noc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Cl ZINC000066259113 II Annotated Reactive CCOC(=O)c1ccc(N/N=C(\C(=O)c2ccc(Cl)cc2)c2nc(C)cc(O)n2)cc1 ZINC000066259679 II Annotated Mild COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000066260184 II Annotated Anodyne CCOC(=O)c1sc2nc(CCSc3nc4cc(Cl)ccc4[nH]3)[nH]c(=O)c2c1C ZINC000066262188 II Annotated Anodyne Cc1cc([C@H](O)C[N+](=O)[O-])cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1 ZINC000066262701 II Annotated Mild Cc1cc([C@@H](O)C[N+](=O)[O-])cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1 ZINC000066262703 II Annotated Mild CCOC(=O)c1sc2nc(/C=C/c3ccc(-n4cnc(C)c4)c(OC)c3)nc(N)c2c1C ZINC000066263441 II Annotated Anodyne Cc1c(C(=O)Nc2ccccc2)[n+](=O)c2cc(CNC/C=C/c3ccccc3)ccc2n1O ZINC000066263634 II Annotated Anodyne CC(=O)Oc1ccccc1/C=C/C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C ZINC000066264028 II Annotated Anodyne CC(=O)Oc1cccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1 ZINC000066264034 II Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1 ZINC000066264037 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)C=C(C)C ZINC000067913724 II Annotated Anodyne Cc1cc(S(C)(=O)=O)ccc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000068204809 II Annotated Anodyne COc1cc(Nc2nc3c(c(COC4CCCC4)n2)COCC3)ccc1-n1cnc(C)c1 ZINC000068206374 II Annotated Anodyne COc1cc(C)c(Cc2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)n[nH]2)cc1C(C)C ZINC000068245241 II Annotated Anodyne CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC3CCOCC3)cc2C1 ZINC000068245828 II Annotated Anodyne CC(C)c1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n[nH]1 ZINC000068245986 II Annotated Anodyne CCc1ccc([C@@H]2C[C@H](OC(=O)Nc3ccccc3)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000068246385 II Annotated Anodyne Cn1cnc(-c2ccc([C@H]3C[C@@H]3C(=O)NCCF)cc2)c1Sc1ccc(Cl)cn1 ZINC000068247246 II Annotated Anodyne Cc1cccc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1C ZINC000068249619 II Annotated Anodyne O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2cccnc12)C1CC1 ZINC000068249624 II Annotated Anodyne CC(C)(CO)CNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1 ZINC000068267215 II Annotated Mild COc1ccc(N2C(=N)C(=S)N(c3ccc(I)cc3)C2=O)cc1 ZINC000069061645 II Annotated Anodyne CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(OC)cc1 ZINC000007003013 II Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](O)[C@@H](C)[C@@H](C)C2 ZINC000070454388 II Annotated Anodyne in-vitro biogenic CCCC[C@@H](C(=O)COC(=O)c1c(C)cccc1C)n1cc(C2(N)CCCCC2)nn1 ZINC000070463257 II Annotated Anodyne CCCC[C@H](C(=O)COC(=O)c1c(C)cccc1C)n1cc(C2(N)CCCCC2)nn1 ZINC000070463258 II Annotated Anodyne Cc1cc(C)c(S(=O)(=O)O)cc1/N=N/c1cc(O)c2ccccc2c1S(=O)(=O)O ZINC000070647068 II Annotated Clean in-vitro C/C=C(\C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C=C(C)C ZINC000070647117 II Annotated Anodyne in-vitro C/C=C(\C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C=C(C)C ZINC000070647118 II Annotated Anodyne in-vitro CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(CCO)Cc3ccccc3)nc21 ZINC000070719214 II Annotated Anodyne COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)no2)c1 ZINC000071282297 II Annotated Clean COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)no2)c1 ZINC000071282299 II Annotated Clean O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(CN3CCCCC3)cc(=O)n21 ZINC000071294430 II Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CNC(=O)c4ccc(C(F)(F)F)cc4)nn3)c2c1 ZINC000071295269 II Annotated Anodyne O=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071295615 II Annotated Clean O=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071295616 II Annotated Clean C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@]2(CC[C@@H]3C(C)C)CO2)[C@](C)(O)CC[C@@H]1OC(=O)NCCCC ZINC000071296385 II Annotated Mild COc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)O)cc2cc(C#N)ccc21 ZINC000071296481 II Annotated Mild CC(C)(O)CCNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1 ZINC000071296503 II Annotated Mild O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCC1CCN(C(=O)c2ccccc2)CC1 ZINC000071296545 II Annotated Bother CCOP(=O)(OCC)[C@@H]1[C@@H](C(=O)c2cc(O)ccc2O)[C@H](c2ccccc2)ON1C ZINC000071296910 II Annotated Anodyne N#CCC1=NN=C(c2ccc([N+](=O)[O-])cc2)[C@@H](CC(=O)c2ccc(Br)cc2)O1 ZINC000071315815 II Annotated Mild N#CCC1=NN=C(c2ccc([N+](=O)[O-])cc2)[C@H](CC(=O)c2ccc(Br)cc2)O1 ZINC000071315816 II Annotated Mild CCn1c(=O)n([C@@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ncccc21 ZINC000071315942 II Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccsc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000071316166 II Annotated Anodyne CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ncccc21 ZINC000071316329 II Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000071316654 II Annotated Reactive Cc1ccc(/C=C2\CN(C(=O)CCSCCO)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000071316799 II Annotated Mild CC(C)c1c(Cc2ccccc2)n(COCCCCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071316893 II Annotated Anodyne O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ccncc4)n3c2)c1)c1ccccc1 ZINC000071317292 II Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000071317608 II Annotated Anodyne CCN(CC)CCN1C(=O)c2cccc3c(-n4cc(-c5ccccc5)nn4)ccc(c23)C1=O ZINC000071317749 II Annotated Anodyne Cc1csc(C#C[C@]23C=C(C#N)C(=O)C=C2[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC3)n1 ZINC000071318115 II Annotated Reactive CCn1c(=O)n([C@@H]2CCCN(c3cc(-c4cc5ccccc5o4)ncn3)C2)c2ncccc21 ZINC000071318531 II Annotated Anodyne CCn1c(=O)n([C@H]2CCCN(c3cc(-c4cc5ccccc5o4)ncn3)C2)c2ncccc21 ZINC000071318532 II Annotated Anodyne Cn1c(=O)n([C@@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 ZINC000071318604 II Annotated Anodyne Cn1c(=O)n([C@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 ZINC000071318605 II Annotated Anodyne C[C@H]1C(=O)N(c2ccc([S@@](=O)C(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000071318621 II Annotated Anodyne C[C@H]1C(=O)N(c2ccc([S@](=O)C(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000071318622 II Annotated Anodyne CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2cn1 ZINC000071318626 II Annotated Anodyne CNCCOc1ccc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000071318695 II Annotated Anodyne CCOC1CN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1 ZINC000071318827 II Annotated Anodyne COc1ccc(C(C)(C)C)cc1Cn1c(C(=O)NCC2(CO)CC2)cc2cc(C#N)ccc21 ZINC000071318864 II Annotated Mild O=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12 ZINC000071318974 II Annotated Anodyne N#CCC1=NN=C(c2ccc(Br)cc2)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000071319130 II Annotated Mild N#CCC1=NN=C(c2ccc(Br)cc2)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000071319131 II Annotated Mild O=C1c2ncc3c(c(COCc4ccccc4F)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071319396 II Annotated Clean Brc1ccc(CN2CCN(c3nccc(NCc4ccccc4)n3)CC2)cc1 ZINC000071329408 II Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000071329483 II Annotated Anodyne CCn1c(=O)n([C@H]2CCCN(c3ncc(-c4cc5ccccc5o4)cn3)C2)c2ncccc21 ZINC000071329541 II Annotated Anodyne O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1cccc(Oc2ccccc2)c1 ZINC000071329628 II Annotated Mild CCOC(=O)[C@@H](CCCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000071329732 II Annotated Unstable CCOC(=O)[C@H](CCCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000071329733 II Annotated Unstable O=P(O)(O)C(F)(F)c1cccc(-c2ccc(CO/N=C/c3ccc(CO)o3)cc2)c1 ZINC000071329802 II Annotated Mild O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000071329962 II Annotated Mild CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccc(Cl)s4)n3)C2)c2ncccc21 ZINC000071330026 II Annotated Anodyne CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2cn1 ZINC000071330096 II Annotated Anodyne O=C1CCc2ccc(OCCCCN3CCN(c4c(F)ccc5ccccc45)CC3)nc2N1 ZINC000071330185 II Annotated Anodyne Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)cn1 ZINC000071332136 II Annotated Clean Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)cn1 ZINC000071332139 II Annotated Clean O=C1NCCCC[C@H]1N(Cc1cc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071333084 II Annotated Anodyne Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@H](c3ccccc3O)C2)c1 ZINC000071340417 II Annotated Clean Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@@H](c3ccccc3O)C2)c1 ZINC000071340418 II Annotated Clean CCN(CC)CCOc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl ZINC000071340584 II Annotated Anodyne Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3c(O)cccc3F)s2)cn1 ZINC000071341426 II Annotated Clean Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3c(O)cccc3F)s2)cn1 ZINC000071341427 II Annotated Clean CC(C)[C@@]1(c2cc(C(F)(F)F)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O ZINC000071341655 II Annotated Anodyne CC(C)[C@]1(c2cc(C(F)(F)F)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O ZINC000071341656 II Annotated Anodyne CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@@H](C(C)(C)O)C4)O1 ZINC000071341662 II Annotated Anodyne CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)O)C4)O1 ZINC000071341663 II Annotated Anodyne C[C@H](N[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C)C(=O)O ZINC000071341958 II Annotated Mild CC(C)[C@@]1(c2cc(Br)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O ZINC000071342003 II Annotated Anodyne CC(C)[C@]1(c2cc(Br)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O ZINC000071342004 II Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000071715497 II Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1CCN(c2ccccc2)CC1 ZINC000072100908 II Annotated Mild Cc1ncsc1C(=O)N1CC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 ZINC000072101258 II Annotated Anodyne Cc1ncsc1C(=O)N1CC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 ZINC000072101259 II Annotated Anodyne O=S(=O)(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(Cl)cc1 ZINC000072101271 II Annotated Anodyne O=S(=O)(N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(Cl)cc1 ZINC000072101272 II Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072101640 II Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072101641 II Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101911 II Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101912 II Annotated Anodyne O/N=C(/c1ccc(Oc2cccc3cccnc23)nc1)N1CCN(c2ccccc2)CC1 ZINC000072102202 II Annotated Mild COc1ccc(N2CC(C)(C)[C@@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000072102216 II Annotated Anodyne CCOc1ccc(Oc2cc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)ccn2)cc1 ZINC000072102889 II Annotated Mild N#Cc1ccnc(N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n1 ZINC000072103471 II Annotated Mild N#Cc1ccnc(N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n1 ZINC000072103472 II Annotated Mild Cc1cc(C(=O)N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)[nH]n1 ZINC000072103677 II Annotated Anodyne Cc1cc(C(=O)N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)[nH]n1 ZINC000072103678 II Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1 ZINC000072104184 II Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1 ZINC000072104185 II Annotated Anodyne CN1OC[C@@H]2CN(Cc3ccc4c(c3)OCO4)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000072104581 II Annotated Clean C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000072106033 II Annotated Anodyne C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000072106034 II Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=N)NCc1ccc(Cl)cc1)C1CCCCC1 ZINC000072106673 II Annotated Anodyne Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OCCO)ccc2[nH]1 ZINC000072108570 II Annotated Reactive Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OCCO)ccc2[nH]1 ZINC000072108571 II Annotated Reactive O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCCn1cncn1 ZINC000072108839 II Annotated Anodyne C/C1=C\[C@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000072108934 II Annotated Mild CC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109164 II Annotated Mild C[C@@H](CO)C1=C2[C@H]3C[C@H](O)C(COC(=O)c4ccccc4)=C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000072109829 II Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)cc2)C1 ZINC000072109941 II Annotated Anodyne O=C1NCCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000072110406 II Annotated Anodyne O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 ZINC000072110410 II Annotated Reactive O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@H](CCl)c2c1cc(O)c1ccccc21 ZINC000072110411 II Annotated Reactive O=C1NCCCN1c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000072111335 II Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(CC2CC2)CCN1C3 ZINC000072111483 II Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CC2CC2)CCN1C3 ZINC000072112954 II Annotated Bother COc1cc(-c2cn(Cc3cccc(OC(F)(F)F)c3)nn2)ccc1-n1cnc(C)c1 ZINC000072113645 II Annotated Anodyne CCCCc1nc(Cl)c([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)n1C ZINC000072113663 II Annotated Anodyne CCCCc1nc(Cl)c([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)n1C ZINC000072113664 II Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C)cc3)c2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072114487 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000072114898 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000072114899 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccncc1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000072115061 II Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccncc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000072115062 II Annotated Anodyne CC(C)CN1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000072116709 II Annotated Reactive CCc1cc(=O)c2ccc(OC(C)C)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116989 II Annotated Anodyne CCc1cc(=O)c2ccc(OC(C)C)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116990 II Annotated Anodyne CCN(CC)c1ccc(-c2nc(Nc3ccc4oc(=O)ccc4c3)nc(O)c2C#N)cc1 ZINC000072118682 II Annotated Mild Cc1ccc([C@@H]2Oc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 ZINC000072119920 II Annotated Anodyne O=S(=O)(CC1=NCCO1)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000072120069 II Annotated Anodyne C[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000072122832 II Annotated Bother C[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000072122833 II Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000072122918 II Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)s1 ZINC000072123009 II Annotated Clean CCc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)s1 ZINC000072123010 II Annotated Clean O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1cccnc1)C2 ZINC000072123026 II Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000072123182 II Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1)C2 ZINC000072123314 II Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)cc1 ZINC000072123496 II Annotated Clean CCc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)cc1 ZINC000072123497 II Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000072123521 II Annotated Bother CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCC[C@H](F)C4)n3)cc2)C1=O ZINC000072123564 II Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCC[C@@H](F)C4)n3)cc2)C1=O ZINC000072123565 II Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cc(-n2ccnc2C)cs1 ZINC000072124268 II Annotated Clean Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1csc(-n2ccnc2C)c1 ZINC000072124269 II Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000072124536 II Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1cccc(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000072124539 II Annotated Mild N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072124791 II Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072124792 II Annotated Reactive CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCC[C@@H](C)C4)n3)cc2)C1=O ZINC000072124819 II Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCC[C@H](C)C4)n3)cc2)C1=O ZINC000072124820 II Annotated Anodyne O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC(F)(F)F ZINC000072124957 II Annotated Anodyne O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1 ZINC000072124964 II Annotated Anodyne Cc1cn(-c2ccc(-c3ccc(CCC(=O)O)n3-c3ccc(C(N)=O)cc3C)cc2)cn1 ZINC000072124978 II Annotated Clean NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c1[nH]c1cc(-c3ccc(N)nc3)ccc12 ZINC000072125187 II Annotated Anodyne CC(C)[C@@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C(F)(F)F ZINC000072125713 II Annotated Anodyne C[C@@H](NCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127530 II Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cnc3c(Cl)ncnc31)O2 ZINC000072127792 II Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072134894 II Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072134895 II Annotated Anodyne O=C(c1cccs1)N1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072134896 II Annotated Anodyne CCCCOC[C@@H]1CN(Cc2ccccc2OC)S(=O)(=O)c2cc(Cl)ccc2O1 ZINC000072134939 II Annotated Anodyne CCCCOC[C@H]1CN(Cc2ccccc2OC)S(=O)(=O)c2cc(Cl)ccc2O1 ZINC000072134940 II Annotated Anodyne Cc1cccc(C(=O)N2[C@H](C(C)C)COc3cc(Br)ccc3S2(=O)=O)c1 ZINC000072135117 II Annotated Anodyne CCCCn1nnnc1[C@@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136457 II Annotated Anodyne CCCCn1nnnc1[C@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136458 II Annotated Anodyne Cc1ccccc1C(=O)N1[C@H](C(C)C)COc2cc(Br)ccc2S1(=O)=O ZINC000072136484 II Annotated Anodyne O=S1(=O)c2ccc(Br)cc2N2CCC[C@H]2CN1Cc1ccc(Cl)cc1 ZINC000072136531 II Annotated Anodyne S=C(NCCc1ccccc1)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 ZINC000072136745 II Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2C2CCCC2)CC1 ZINC000072136863 II Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2C2CCCC2)CC1 ZINC000072136864 II Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072137714 II Annotated Anodyne CC(C)(C)n1nnnc1[C@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072137715 II Annotated Anodyne CSC[C@@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000072137925 II Annotated Anodyne CSC[C@@H]1CN(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000072137926 II Annotated Anodyne CSC[C@H]1CN(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000072137927 II Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cccs2)c2nnnn2C2CCCC2)CC1 ZINC000072138589 II Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cccs2)c2nnnn2C2CCCC2)CC1 ZINC000072138590 II Annotated Anodyne COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000072139622 II Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000072139685 II Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000072139686 II Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000072139789 II Annotated Anodyne CCN1C(NCc2cccc(Cl)c2)=N[C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000072139808 II Annotated Anodyne CCN1C(NCc2cccc(Cl)c2)=N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000072139809 II Annotated Anodyne O=C1NCc2[nH]c3c(ccc4cnc(/C=C/c5cccc(CCN6CCOCC6)c5)cc43)c21 ZINC000072139831 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139969 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139970 II Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1ccc(Br)cc1 ZINC000072140917 II Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O ZINC000072141063 II Annotated Anodyne CSCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141140 II Annotated Anodyne CSCC[C@H](c1nnnn1C1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141141 II Annotated Anodyne Cc1ncsc1C(=O)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072141444 II Annotated Anodyne Cc1ncsc1C(=O)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072141445 II Annotated Anodyne CC(C)(C)OC(=O)/N=C(\NC1=NC(=O)CN1C(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072142501 II Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)cn3)cc1)C2 ZINC000072142638 II Annotated Bother C[C@@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000072142651 II Annotated Anodyne C[C@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000072142652 II Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000072142653 II Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000072142654 II Annotated Anodyne COc1cc([C@H]2C(C=O)=C(Cl)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000072171998 II Annotated Reactive COc1cc([C@@H]2C(C=O)=C(Cl)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000072171999 II Annotated Reactive COc1cc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc2c(C)c1OCCCN(C)C ZINC000072173174 II Annotated Anodyne O=C(CSc1nc(CN2CCCc3ccccc32)cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000072175525 II Annotated Anodyne COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c1OC ZINC000072175705 II Annotated Anodyne C[C@]1([C@@H](O)c2ccc(F)cc2)NC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072175803 II Annotated Anodyne O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3Br)c12 ZINC000072176271 II Annotated Clean CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000072176769 II Annotated Anodyne CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)[C@@H](S(=O)(=O)c2ccccc2)CC1=O ZINC000072176971 II Annotated Anodyne CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)[C@H](S(=O)(=O)c2ccccc2)CC1=O ZINC000072176972 II Annotated Anodyne COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)cc(SC(C)C)n(C3CC3)c12 ZINC000072177015 II Annotated Anodyne C[C@@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177667 II Annotated Anodyne C[C@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177668 II Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177669 II Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177670 II Annotated Anodyne Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072177950 II Annotated Anodyne CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(C#N)cc2)[nH]c1=O ZINC000072178111 II Annotated Mild O[C@H](CNCCNC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072178726 II Annotated Anodyne O[C@@H](CNCCNC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072178727 II Annotated Anodyne CCn1cc(-c2nnc(S)n2/N=C/c2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21 ZINC000072179619 II Annotated Mild Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1 ZINC000072179867 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1 ZINC000072179929 II Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1 ZINC000072179930 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 ZINC000072179966 II Annotated Anodyne C[C@@H](CNC1CCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180006 II Annotated Anodyne C[C@H](CNC1CCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180007 II Annotated Anodyne C[C@@H](CNC1CCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180008 II Annotated Anodyne C[C@H](CNC1CCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180009 II Annotated Anodyne CCCC[C@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072180170 II Annotated Mild CCCC[C@@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072180171 II Annotated Mild COc1cc(-c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)co2)cc(OC)c1OC ZINC000072180283 II Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 ZINC000072180287 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1 ZINC000072180333 II Annotated Anodyne O=C(c1c(Cc2c(F)cccc2Cl)n(-c2ccccc2)c2ccncc12)N1CCNCC1 ZINC000072180412 II Annotated Anodyne O[C@H](CNC[C@]12CC[C@H](C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180540 II Annotated Anodyne O[C@@H](CNC[C@]12CC[C@H](C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180541 II Annotated Anodyne CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC ZINC000072181230 II Annotated Anodyne CCn1cc(-c2nnc(S)n2/N=C/c2ccc(C(C)(C)C)cc2)c(=O)c2ccc(C)nc21 ZINC000072181344 II Annotated Mild CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl ZINC000072181379 II Annotated Anodyne Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncc(O)cc2n1-c1ccccc1 ZINC000072181542 II Annotated Anodyne CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3C)c2C)cc1 ZINC000072181554 II Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3C)c2C)cc1 ZINC000072181555 II Annotated Anodyne C=Cc1ccccc1Cn1nc(C)c(CN(C)C[C@@H](O)COc2ccc(OCC)cc2)c1C ZINC000072181699 II Annotated Anodyne C=Cc1ccccc1Cn1nc(C)c(CN(C)C[C@H](O)COc2ccc(OCC)cc2)c1C ZINC000072181700 II Annotated Anodyne O[C@H](CNC[C@@]12CCC[C@@H]1CNC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181873 II Annotated Anodyne O[C@@H](CNC[C@@]12CCC[C@@H]1CNC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181874 II Annotated Anodyne O[C@H](CNC[C@]12CCC[C@H]1CNC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182058 II Annotated Anodyne O[C@@H](CNC[C@]12CCC[C@H]1CNC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182059 II Annotated Anodyne N#Cc1ccc(C(c2ccc(C#N)cc2)n2cc(COc3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000072182186 II Annotated Mild C[C@@H](CN1CCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182207 II Annotated Anodyne C[C@H](CN1CCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182208 II Annotated Anodyne C[C@@H](CN1CCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182209 II Annotated Anodyne C[C@H](CN1CCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182210 II Annotated Anodyne O=[N+]([O-])c1ccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC000072182285 II Annotated Bother COc1ccccc1OC[C@@H](O)CN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000072182516 II Annotated Anodyne COc1ccccc1OC[C@H](O)CN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000072182517 II Annotated Anodyne COc1cc(CNCc2coc(-c3ccccc3Br)n2)cc(OC)c1OC ZINC000072182634 II Annotated Anodyne O/N=C(/c1ccnc(Oc2cccc3cnccc23)c1)N1CCN(c2ccccc2)CC1 ZINC000072182758 II Annotated Mild O/N=C(/c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1)N1CCN(c2ccccc2)CC1 ZINC000072182793 II Annotated Mild C[C@@H]1CCc2ccccc2N1/C(=N\O)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072182965 II Annotated Mild C[C@H]1CCc2ccccc2N1/C(=N\O)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072182966 II Annotated Mild Cc1cc(F)c(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183536 II Annotated Anodyne Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183545 II Annotated Anodyne Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183694 II Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183695 II Annotated Anodyne Cc1cc(F)cc(C)c1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183863 II Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183864 II Annotated Anodyne COC(=O)c1ccc2c(c1)nc(-c1cc3ccccc3[nH]c1=O)n2-c1cc(C(C)(C)C)[nH]n1 ZINC000072184025 II Annotated Anodyne NC(=O)c1cccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)c1 ZINC000072184888 II Annotated Anodyne NC(=O)c1cccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)c1 ZINC000072184889 II Annotated Anodyne Cc1oncc1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185145 II Annotated Anodyne Cc1oncc1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185146 II Annotated Anodyne Cc1nc(C(=O)N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)co1 ZINC000072185512 II Annotated Anodyne Cc1nc(C(=O)N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)co1 ZINC000072185513 II Annotated Anodyne Cc1ccc(/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)c(OCc2ccccc2F)n1 ZINC000072185543 II Annotated Mild Cc1nocc1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185547 II Annotated Anodyne Cc1nocc1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185548 II 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]4CC(=O)[C@H]4CC(=O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000072283128 II Annotated Anodyne in-vitro 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]4CC(=O)CC[C@@]45C)[C@@H]3CN2C1 ZINC000072283129 II Annotated Anodyne in-vitro COc1cc2c(C(=O)O)cnc(C(=O)c3c(F)ccc(OC(C)C)c3F)c2cc1OC ZINC000072318099 II Annotated Anodyne OCCN1CCN(CC/C=C2\c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1 ZINC000072481725 II Annotated Anodyne world CC1=CC(=O)C=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H](O)C=C(C)[C@@]12Cc1c(c(C)c(C)oc1=O)O2 ZINC000072937915 II Annotated Mild O=C(O)c1cc(-c2ccc(/C=C3\CC(=O)N(CCc4ccccc4)C3=O)[nH]2)ccc1Cl ZINC000073137870 II Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl ZINC000073139146 II Annotated Clean Clc1cc(-c2nc3sc4ccccc4n3c2/C=N/NC2=NCCN2)c(Cl)s1 ZINC000073140095 II Annotated Mild Cc1ccc(C(=O)CNC(=O)/C=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000073140278 II Annotated Anodyne CCN(CCOC)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1 ZINC000073156129 II Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Br)cncc2Br)c1 ZINC000073161659 II Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Br)cncc2Br)c1 ZINC000073161662 II Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073162628 II Annotated Anodyne O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1nccc2ccccc12)C1CC1 ZINC000073163034 II Annotated Anodyne CC(C)(C)OC(=O)NCCCNC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000073195751 II Annotated Reactive O=[N+]([O-])c1cccc([C@@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)c1 ZINC000073196136 II Annotated Bother O=[N+]([O-])c1cccc([C@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)c1 ZINC000073196137 II Annotated Bother O=[N+]([O-])c1ccc([C@@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)cc1 ZINC000073196138 II Annotated Bother O=[N+]([O-])c1ccc([C@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)cc1 ZINC000073196139 II Annotated Bother CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2cccs2)c1 ZINC000073196539 II Annotated Mild N#C/C=C/c1cc(Cl)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073196585 II Annotated Reactive CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2ccsc2)c1 ZINC000073196801 II Annotated Mild Cc1cc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)c(C)o1 ZINC000073197271 II Annotated Reactive [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN4CCC4=O)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 ZINC000073197765 II Annotated Reactive O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198073 II Annotated Bother CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000073198375 II Annotated Anodyne CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000073198376 II Annotated Anodyne Cc1ccc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000073200207 II Annotated Reactive C[C@@H]1CC[C@H](N2CC[C@]3(CN(C(=O)c4cc5ccc(F)cc5[nH]4)c4ccccc43)C2)CN1 ZINC000073219254 II Annotated Anodyne C[C@@H]1CC[C@@H](N2CC[C@]3(CN(C(=O)c4cc5ccc(F)cc5[nH]4)c4ccccc43)C2)CN1 ZINC000073219256 II Annotated Anodyne CCN1CCC[C@H](N2CC[C@@]3(CN(C(=O)c4cc5cc(F)ccc5[nH]4)c4ccccc43)C2)C1 ZINC000073219337 II Annotated Anodyne CCN1CCC[C@@H](N2CC[C@@]3(CN(C(=O)c4cc5cc(F)ccc5[nH]4)c4ccccc43)C2)C1 ZINC000073219340 II Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1C ZINC000073220032 II Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccco3)ccc2N(C)S(C)(=O)=O)c1 ZINC000073221235 II Annotated Anodyne O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000073222615 II Annotated Anodyne CC[C@H](CO)N(Cc1cc2c(cc1Cl)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000073223769 II Annotated Anodyne CCN1CCC[C@H](N2CC[C@]3(CN(C(=O)c4cc5cc(F)ccc5[nH]4)c4ccccc43)C2)C1 ZINC000073224498 II Annotated Anodyne CCN1CCC[C@@H](N2CC[C@]3(CN(C(=O)c4cc5cc(F)ccc5[nH]4)c4ccccc43)C2)C1 ZINC000073224499 II Annotated Anodyne C[C@@H]1CC[C@H](N2CC[C@@]3(CN(C(=O)c4cc5ccc(F)cc5[nH]4)c4ccccc43)C2)CN1 ZINC000073239917 II Annotated Anodyne C[C@@H]1CC[C@@H](N2CC[C@@]3(CN(C(=O)c4cc5ccc(F)cc5[nH]4)c4ccccc43)C2)CN1 ZINC000073239919 II Annotated Anodyne CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(CN)cc2)cc1 ZINC000073239952 II Annotated Mild CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(CN)cc2)cc1 ZINC000073239955 II Annotated Mild COc1cc2c(C)c(OC)c(=O)oc2cc1OCCCCOc1cc(O)cc(N(C)C)c1 ZINC000073240538 II Annotated Anodyne CC(=O)N[C@H]1c2ccccc2C2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)[C@@H]1O ZINC000073240834 II Annotated Anodyne CCCCCCC(=O)Oc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073256865 II Annotated Mild Cc1onc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000073279632 II Annotated Bother Cc1onc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000073279634 II Annotated Bother COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[C@@H]2CCCCO2)n1 ZINC000073280869 II Annotated Mild COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[C@H]2CCCCO2)n1 ZINC000073280871 II Annotated Mild Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 ZINC000073291775 II Annotated Clean Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000073294269 II Annotated Mild C=C(C(=O)OCCCCCCN1CCN(C)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073294830 II Annotated Mild COc1ccc([C@H]2Nn3c(nnc3-c3cc(OC)ccc3Br)S2)c(OC)c1 ZINC000073294971 II Annotated Anodyne COc1ccc([C@@H]2Nn3c(nnc3-c3cc(OC)ccc3Br)S2)c(OC)c1 ZINC000073294973 II Annotated Anodyne CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 ZINC000073295574 II Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)N1CCC[C@H]21 ZINC000073295719 II Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)N1CCC[C@H]21 ZINC000073295720 II Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)N1CCC[C@@H]21 ZINC000073295722 II Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)N1CCC[C@@H]21 ZINC000073295724 II Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(OCc3ccccc3)C[C@H]1C)C2=O ZINC000073295861 II Annotated Mild Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(N4CCOCC4)ncc23)c1 ZINC000073296856 II Annotated Anodyne COc1ccc(Br)c(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)c1 ZINC000073297071 II Annotated Bother C=C(C(=O)OCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073298293 II Annotated Mild O=C(NCCCn1cnc(Cl)c1Cl)c1ccc(O)c2[nH]c(-c3cccs3)nc12 ZINC000073312390 II Annotated Anodyne Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Oc1ccc(C(=O)N2CCOCC2)cc1 ZINC000073312605 II Annotated Mild COC1=C(OC)C(=O)C(Cc2c(-c3ccccc3)nc3sc(Cl)cn23)=C(C)C1=O ZINC000073334458 II Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@@H]1OC(C)(C)O[C@]13CC(=O)C(C)=C([C@H]1OC(C)(C)O[C@@H]12)C3(C)C ZINC000073369318 II Annotated Mild Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1N(C)C ZINC000073385875 II Annotated Clean Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCC2)cc1 ZINC000073386622 II Annotated Anodyne CC1=CC(=O)C=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](O)C=C(C)[C@@]12Cc1c(c(C)c(C)oc1=O)O2 ZINC000073407420 II Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21)OC ZINC000007998416 II Annotated Mild Cc1ccc(C)c(S(=O)(=O)c2c(N)n(/N=C\c3ccco3)c3nc4ccccc4nc23)c1 ZINC000008017011 II Annotated Mild CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 ZINC000008017327 II Annotated Anodyne CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 ZINC000008017334 II Annotated Anodyne CCCCC#C[C@@H]1C=C[C@H](Oc2cc(OC)c(OC)c(OC)c2)[C@H](COC(=O)OCC)O1 ZINC000008017613 II Annotated Mild CCCCC#C[C@H]1C=C[C@H](Oc2cc(OC)c(OC)c(OC)c2)[C@H](COC(=O)OCC)O1 ZINC000008017619 II Annotated Mild CCCCC#C[C@@H]1C=C[C@@H](Oc2cc(OC)c(OC)c(OC)c2)[C@H](COC(=O)OCC)O1 ZINC000008017624 II Annotated Mild O=C(NCC1CC1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018803 II Annotated Reactive CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@H](OC)[C@@H](C)/C=C/CC(=O)OC ZINC000008019110 II Annotated Bother CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@@H](C)/C=C/CC(=O)OC ZINC000008019131 II Annotated Bother CCCCCC[C@@H]1Cc2cc(OC)c(OC)cc2[C@H](C(C(=O)OCC)C(=O)OCC)O1 ZINC000008019455 II Annotated Anodyne CCCCCC[C@H]1Cc2cc(OC)c(OC)cc2[C@H](C(C(=O)OCC)C(=O)OCC)O1 ZINC000008019463 II Annotated Anodyne CCCCCC[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](C(C(=O)OCC)C(=O)OCC)O1 ZINC000008019471 II Annotated Anodyne CCCCCC[C@H]1Cc2cc(OC)c(OC)cc2[C@@H](C(C(=O)OCC)C(=O)OCC)O1 ZINC000008019479 II Annotated Anodyne CCCCCC(=O)c1cc(CC(C(=O)OC)C(=O)OC)cc2cc(OC)c(OC)cc12 ZINC000008019783 II Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@H]1OC(=O)OCC ZINC000008020072 II Annotated Mild CCOC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@@H]1OC(=O)OCC ZINC000008020086 II Annotated Mild CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@@H]1OC(=O)OCC ZINC000008020092 II Annotated Mild CC(C)=C1C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(C)[C@H]21 ZINC000008021660 II Annotated Mild CO/N=C(/C)CCC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035604 II Annotated Mild CO/N=C(/C)CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1 ZINC000008035639 II Annotated Mild CO[C@H]1C[C@@H]2C[C@H](O)C[C@@H](CC(=O)O[C@@H](/C=C\CC(C)C)C[C@@H]3CC[C@H](C)[C@@H](C1)O3)O2 ZINC000008035772 II Annotated Anodyne C[C@@H]1[C@H]2NC[C@H](C)C[C@]2(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000008234362 II Annotated Anodyne in-vitro CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)C2=O ZINC000008394559 II Annotated Anodyne CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)CCc1ccccc1)C2=O ZINC000008394560 II Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(CO)CC[C@H](O)CC3=C[C@H](O)[C@]12O ZINC000008437683 II Annotated Anodyne in-vitro CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(CO)CC[C@H](O)CC3=C[C@H](O)[C@]12O ZINC000008437684 II Annotated Anodyne in-vitro OCCN1CCN(CC/C=C2\c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1 ZINC000081139092 II Annotated Anodyne world CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(F)cc3)C(=O)[C@@]12C ZINC000082052715 II Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(F)cc3)C(=O)[C@]12C ZINC000082052717 II Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(C)cc3)C(=O)[C@@]12C ZINC000082052748 II Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(C)cc3)C(=O)[C@]12C ZINC000082052750 II Annotated Anodyne O=C(O)COc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2 ZINC000082055630 II Annotated Mild O=C(O)COc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2 ZINC000082055631 II Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C(=O)[C@@H]1CCC(=O)N1)c1ccccc1 ZINC000082055885 II Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C(=O)[C@@H]1CCC(=O)N1)c1ccccc1 ZINC000082055886 II Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C(=O)[C@H]1CCC(=O)N1)c1ccccc1 ZINC000082055887 II Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C(=O)[C@H]1CCC(=O)N1)c1ccccc1 ZINC000082055888 II Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)O ZINC000082055911 II Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)O ZINC000082055912 II Annotated Mild COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CC=CCC3)n2)cc1 ZINC000082065981 II Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CC=CCC3)n2)cc1 ZINC000082066106 II Annotated Anodyne CCN(CC)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066172 II Annotated Anodyne C=CCN(CC=C)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066255 II Annotated Mild COc1ccc(Oc2nc(NC3CCCCC3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066401 II Annotated Anodyne CCN(c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066430 II Annotated Anodyne CCN(c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066431 II Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066499 II Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066500 II Annotated Mild CCN(c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066508 II Annotated Anodyne CCN(c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066521 II Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066689 II Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066750 II Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066751 II Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CC=CCC3)n2)cc1 ZINC000082066781 II Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CC=CCC3)n2)cc1 ZINC000082066802 II Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066839 II Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066840 II Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066853 II Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066854 II Annotated Anodyne CCN(CC)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066938 II Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067020 II Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067065 II Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067074 II Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067113 II Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(C)C(C)C)n2)cc1 ZINC000082067227 II Annotated Anodyne O=C(c1ccccc1)c1ccc(Oc2cc(N(CCO)Cc3ccccc3)ncn2)cc1 ZINC000082067363 II Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)C1 ZINC000082068790 II Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)C1 ZINC000082068791 II Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)C1 ZINC000082068792 II Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)C1 ZINC000082068793 II Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3OCC)n2)C1 ZINC000082069682 II Annotated Mild CCC#CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3OCC)n2)C1 ZINC000082069683 II Annotated Mild CN(C)C(C)(C)COC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069849 II Annotated Anodyne CN(C)CCCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069850 II Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCC(C)(C)N(C)C)cc3)co2)cc1 ZINC000082069877 II Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCCCCN(C)C)cc3)co2)cc1 ZINC000082069878 II Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCCc4ccccn4)cc3)co2)cc1 ZINC000082069885 II Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCC(C)(C)N(C)C)cc2)co1 ZINC000082069890 II Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCCCN(C)C)cc2)co1 ZINC000082069891 II Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCc3ccccn3)cc2)co1 ZINC000082069898 II Annotated Anodyne COC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070385 II Annotated Anodyne COC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070386 II Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C ZINC000082070416 II Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C ZINC000082070418 II Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000082070560 II Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000082070561 II Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CO)CSCc2ccccc2)cs1 ZINC000082071492 II Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CO)CSCc2ccccc2)cs1 ZINC000082071493 II Annotated Anodyne CCCCNC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072186 II Annotated Anodyne O=C(NCC(=O)N1CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072196 II Annotated Anodyne CCC#CCOC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072349 II Annotated Mild COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073577 II Annotated Anodyne COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073580 II Annotated Anodyne CN(C)CCOCCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082075111 II Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc3cnc(Nc4ccncn4)cc3n2Cc2ccccc2)cc1 ZINC000082078865 II Annotated Anodyne O/C(=N\c1ccc2c(c1)OCO2)c1csc([C@@H](O)c2cccc(OC(F)(F)F)c2)n1 ZINC000082078952 II Annotated Mild O/C(=N\c1ccc2c(c1)OCO2)c1csc([C@H](O)c2cccc(OC(F)(F)F)c2)n1 ZINC000082078953 II Annotated Mild CNc1nc2cnc(Nc3ccc(OC)cc3C)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082078989 II Annotated Anodyne COc1ccc(-c2nc3ccc(/N=C(\O)c4cc(OC)c(OC)c(OC)c4)cn3n2)cc1 ZINC000082079166 II Annotated Mild CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081622 II Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081623 II Annotated Anodyne CNc1nc2cnc(Nc3ccc(SC)cc3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082081758 II Annotated Anodyne COc1cc(OC)cc(-c2cc3c(Nc4cccc(NS(C)(=O)=O)c4)nccc3[nH]2)c1 ZINC000082081833 II Annotated Anodyne CNc1nc2cnc(Nc3ccc(F)c(Cl)c3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082081840 II Annotated Anodyne CCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081854 II Annotated Bother COc1cccc(/C(O)=N/c2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)c1 ZINC000082081858 II Annotated Mild O=S(=O)(Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)nn2c1)c1ccccc1F ZINC000082081901 II Annotated Anodyne CNc1nc2cnc(Nc3ccc4c(c3)OCO4)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082081925 II Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1 ZINC000082081943 II Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1 ZINC000082081945 II Annotated Bother CNc1nc2cnc(Nc3cccc(Cl)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082058 II Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1N ZINC000082082166 II Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1N ZINC000082082168 II Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082372 II Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082373 II Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCC1CCCCC1 ZINC000082082536 II Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCC1CCCCC1 ZINC000082082538 II Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(C(=O)N(C)C)c4)cn23)cc1 ZINC000082082592 II Annotated Anodyne OCC/N=C(\O)c1cccc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1 ZINC000082082594 II Annotated Mild CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082082730 II Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082082732 II Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn23)cc1 ZINC000082082733 II Annotated Anodyne OCC/N=C(\O)c1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1 ZINC000082082774 II Annotated Mild C/C(O)=N\c1ccc(-c2nnc3ccc(-c4ccc(N5CCN(C)CC5)cc4)cn23)cc1 ZINC000082082793 II Annotated Mild OCC/N=C(\O)c1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1 ZINC000082082866 II Annotated Mild C/C(O)=N\c1ccc(-c2nnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1 ZINC000082082879 II Annotated Mild COc1ccc(CNc2nc3cnc(Nc4ccc(/N=C(\C)O)cc4)cc3n2C)cc1OC ZINC000082083068 II Annotated Mild COc1cc(/N=C(\O)c2csc([C@H](O)CCc3ccccc3)n2)cc(OC)c1OC ZINC000082083440 II Annotated Mild COc1cc(/N=C(\O)c2csc([C@@H](O)CCc3ccccc3)n2)cc(OC)c1OC ZINC000082083443 II Annotated Mild COc1cc(C/N=C(\O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc(OC)c1OC ZINC000082083565 II Annotated Mild COc1cc(C/N=C(\O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc(OC)c1OC ZINC000082083567 II Annotated Mild COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCC3CCCCC3)cs2)c1 ZINC000082083878 II Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)OCCC3CCCCC3)cs2)c1 ZINC000082083879 II Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1 ZINC000082083987 II Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1 ZINC000082083990 II Annotated Bother CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084602 II Annotated Anodyne CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084603 II Annotated Anodyne NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084626 II Annotated Anodyne NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084627 II Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCCC3CCCCC3)cs2)c1 ZINC000082084958 II Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085096 II Annotated Bother O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085097 II Annotated Bother CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085224 II Annotated Anodyne CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085225 II Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085352 II Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085353 II Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCCC3CCCCC3)cs2)c1 ZINC000082085813 II Annotated Anodyne CN(CC(=O)OCCC1CCCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085837 II Annotated Bother COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(C)C(C)C)n2)cc1 ZINC000082086463 II Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)cs1 ZINC000082088097 II Annotated Anodyne COc1ccccc1CNc1nc(NCCCOC(C)C)nc2cc(OC)c(OC)cc12 ZINC000082126204 II Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCC(C)C)c2cc1OC ZINC000082127693 II Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCCc3ccc(O)cc3)c2cc1OC ZINC000082128208 II Annotated Anodyne COc1cccc(CNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)c1 ZINC000082129280 II Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 ZINC000082132902 II Annotated Mild CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134419 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134420 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134422 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134424 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134477 II Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134684 II Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134687 II Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134689 II Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000082134769 II Annotated Bother CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135021 II Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135032 II Annotated Mild O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000082135397 II Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135489 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135551 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135552 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135554 II Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135570 II Annotated Bother Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135618 II Annotated Bother O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000082135670 II Annotated Bother CC1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135692 II Annotated Bother CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135709 II Annotated Bother CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135710 II Annotated Bother CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135711 II Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135721 II Annotated Bother CC[C@@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135753 II Annotated Bother CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135754 II Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135764 II Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135765 II Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135766 II Annotated Bother CC1CCN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135767 II Annotated Bother O=C(NCc1ccccc1Cl)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135770 II Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135846 II Annotated Bother CC[C@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135847 II Annotated Bother CCN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135908 II Annotated Bother COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135962 II Annotated Bother CCN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135981 II Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136059 II Annotated Bother CCN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136196 II Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082136322 II Annotated Anodyne COc1cc2nc(NCCc3ccc(O)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082137125 II Annotated Anodyne COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 ZINC000082139525 II Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)o1 ZINC000082139539 II Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)C1 ZINC000082139736 II Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)C1 ZINC000082139737 II Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)C1 ZINC000082139740 II Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 ZINC000082139943 II Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 ZINC000082140067 II Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(F)cc1 ZINC000082140257 II Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(F)cc1 ZINC000082140258 II Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(F)cc1 ZINC000082140876 II Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(F)cc1 ZINC000082140877 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082141308 II Annotated Anodyne CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143983 II Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144504 II Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144506 II Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCOCC2)c1 ZINC000082145205 II Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCOCC2)c1 ZINC000082145207 II Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145270 II Annotated Mild Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145545 II Annotated Mild Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145547 II Annotated Mild Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145549 II Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1 ZINC000082145994 II Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCC2)c(-c2cccc(C)c2)n1 ZINC000082145997 II Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1 ZINC000082147401 II Annotated Anodyne Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147444 II Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147781 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147783 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147786 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147788 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147794 II Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148240 II Annotated Bother O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000082149072 II Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149159 II Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082149241 II Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149273 II Annotated Bother CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149379 II Annotated Bother CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149384 II Annotated Bother CC1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149387 II Annotated Bother O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccc(F)cc1)C(=O)c1ccccc1C2=O ZINC000082149437 II Annotated Reactive CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149459 II Annotated Bother CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149460 II Annotated Bother CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149462 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149638 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149641 II Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149644 II Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082149647 II Annotated Bother O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000082149762 II Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082149789 II Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082149791 II Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082149793 II Annotated Bother CCN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149960 II Annotated Bother COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150072 II Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150135 II Annotated Bother CCN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150370 II Annotated Bother O=C(CCCCl)Nc1ccc2c(c1NC(=O)CCCCl)C(=O)c1ccccc1C2=O ZINC000082151029 II Annotated Reactive COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082151186 II Annotated Anodyne COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082151190 II Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)o1 ZINC000082151397 II Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C1 ZINC000082151450 II Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C1 ZINC000082151455 II Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C1 ZINC000082151458 II Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F ZINC000082151784 II Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F ZINC000082151873 II Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1F ZINC000082151909 II Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccccc1F ZINC000082151913 II Annotated Anodyne CN1c2ccccc2S(=O)(=O)n2nc(-c3cccnc3Nc3ccc(Cl)cc3)nc21 ZINC000082151985 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082152779 II Annotated Anodyne COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082152782 II Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082153625 II Annotated Anodyne C=CCO[C@@H]1O[C@H](Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)[C@H]2OC3(CCCC3)O[C@@H]12 ZINC000082153899 II Annotated Mild O=C(c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)C2)N1CCCCC1 ZINC000082153939 II Annotated Anodyne O=C(c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)C2)N1CCCCC1 ZINC000082153941 II Annotated Anodyne CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000082154579 II Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082154609 II Annotated Mild Cc1ccc(C)c(COc2cc(NC(=O)C3CCCC3)ccc2N(C)S(C)(=O)=O)c1 ZINC000082157899 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)(F)F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000082158636 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)(F)F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000082158638 II Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(C#N)cc1 ZINC000082158671 II Annotated Mild CC[C@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(C#N)cc1 ZINC000082158672 II Annotated Mild N#Cc1ccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2CCCCC2)cc1 ZINC000082158716 II Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082158807 II Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082158808 II Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082158809 II Annotated Mild CCN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000082158941 II Annotated Mild CC(C)CN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159025 II Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159549 II Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159550 II Annotated Mild O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082160893 II Annotated Bother Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162925 II Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162926 II Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163622 II Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163702 II Annotated Bother CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164984 II Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)CC1 ZINC000082165728 II Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)CC1 ZINC000082165743 II Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165798 II Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165799 II Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C1 ZINC000082165818 II Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C1 ZINC000082165820 II Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccco3)s2)cc1 ZINC000082165895 II Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccco3)s2)cc1 ZINC000082166274 II Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166514 II Annotated Anodyne CCc1cnc(-c2cnc(NCCCOC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166628 II Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166630 II Annotated Anodyne COc1cc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166927 II Annotated Anodyne COc1cc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166931 II Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccs1 ZINC000082167541 II Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccs1 ZINC000082167542 II Annotated Mild COc1ccc(OC)c([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)c1 ZINC000082171283 II Annotated Clean COc1ccc(OC)c([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)c1 ZINC000082171286 II Annotated Clean COc1ccc(OC)c([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)c1 ZINC000082172761 II Annotated Clean COc1ccc(OC)c([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)c1 ZINC000082172762 II Annotated Clean Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2nc3ccccc3s2)c1 ZINC000082173347 II Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2nc3ccccc3s2)c1 ZINC000082173348 II Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)CC1 ZINC000082175632 II Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 ZINC000082176076 II Annotated Anodyne Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176667 II Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@H](C(N)=O)C2)ncc1-c1nc2ccccc2s1 ZINC000082177442 II Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1nc2ccccc2s1 ZINC000082177443 II Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082177783 II Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082177811 II Annotated Anodyne CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000082177813 II Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082177814 II Annotated Anodyne CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000082177816 II Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCN1CCCC1=O ZINC000082177866 II Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccoc1)n2CCCCOC(=O)C(F)(F)F ZINC000082177957 II Annotated Anodyne CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCN1CCCC1=O ZINC000082178113 II Annotated Anodyne CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCN1CCCC1=O ZINC000082178114 II Annotated Anodyne CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082178202 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178269 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178270 II Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178439 II Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178540 II Annotated Anodyne CC(C)c1nc2c(NCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178644 II Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178712 II Annotated Anodyne CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O ZINC000082179027 II Annotated Anodyne CC(C)(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O ZINC000082179054 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCCN2CCCC2=O)cc1 ZINC000082179079 II Annotated Anodyne CCCc1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179129 II Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082179144 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)cc1 ZINC000082179192 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179199 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179200 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCCN2CCCC2=O)cc1 ZINC000082179217 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCCN2CCCC2=O)cc1 ZINC000082179231 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CCCN2CCCC2=O)cc1 ZINC000082179271 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCCN2CCCC2=O)cc1 ZINC000082179285 II Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CCCN2CCCC2=O)cc1 ZINC000082179415 II Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@@H]2CCCO2)c1 ZINC000082179475 II Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@H]2CCCO2)c1 ZINC000082179476 II Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)c1 ZINC000082179537 II Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccnc2)n3CCc2ccccn2)c1 ZINC000082179541 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179544 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179545 II Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)c1 ZINC000082179551 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179558 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179559 II Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179822 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179881 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179882 II Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179904 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccccc1)n2CCCN1CCCC1=O ZINC000082180109 II Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180161 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2CCN1CCCCC1 ZINC000082180220 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@@H]1CCCN1C ZINC000082180230 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@H]1CCCN1C ZINC000082180231 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CCCN1CCCC1=O ZINC000082180251 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2CCCN1CCCC1=O ZINC000082180268 II Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082180320 II Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180360 II Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180362 II Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180416 II Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180417 II Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccnc1)n2CCN1CCCCC1 ZINC000082180712 II Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1 ZINC000082180717 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180722 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180724 II Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1 ZINC000082180737 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180754 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180756 II Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181180 II Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181182 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181564 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181565 II Annotated Anodyne Cc1ccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082181665 II Annotated Anodyne O=C(OCCCCn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082184637 II Annotated Anodyne Cc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082184704 II Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082184737 II Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185112 II Annotated Anodyne CC(C)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185208 II Annotated Anodyne CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185241 II Annotated Anodyne Oc1cccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)c1 ZINC000082185461 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185481 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185484 II Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185575 II Annotated Clean Fc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)cc1 ZINC000082185615 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185633 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185634 II Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082185764 II Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082186026 II Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCCN1CCCC1=O ZINC000082186170 II Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2CCc1ccccn1 ZINC000082186197 II Annotated Anodyne CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187125 II Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)cc1 ZINC000082187128 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187144 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187147 II Annotated Anodyne CC(C)(C)Cc1nc2c(NCC3CC3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187157 II Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)cc1 ZINC000082187219 II Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3CCc2ccccn2)cc1 ZINC000082187229 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187237 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187239 II Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188204 II Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188206 II Annotated Anodyne CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O ZINC000082188535 II Annotated Anodyne CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O ZINC000082188537 II Annotated Anodyne COCCn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189087 II Annotated Anodyne CC(=O)NCCn1c(CC(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189293 II Annotated Anodyne CC(=O)NCCn1c(C(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189365 II Annotated Anodyne COCCn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189657 II Annotated Anodyne CC(=O)NCCn1c(CC(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189769 II Annotated Anodyne CC(=O)NCCn1c(C(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189850 II Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccccc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190006 II Annotated Anodyne Oc1cccc(-c2nc3c(NCc4cccs4)ncnc3n2CCN2CCCCC2)c1 ZINC000082190075 II Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190326 II Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCc3cccs3)ncnc21 ZINC000082190558 II Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(C)C)n2)cc1[N+](=O)[O-] ZINC000082192287 II Annotated Bother CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082192307 II Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082192312 II Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082192314 II Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082192319 II Annotated Mild CC[C@H](C)[C@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NCCOC ZINC000082192480 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192833 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192836 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(Cl)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192842 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(Cl)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192846 II Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000082193092 II Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000082193099 II Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194521 II Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194524 II Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(Cl)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194525 II Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(Cl)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194527 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)cc2OC)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194607 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)cc2OC)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194608 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)ccc2OC)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194612 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)ccc2OC)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194615 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)c(OC)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194617 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)c(OC)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194619 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194640 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194642 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194645 II Annotated Anodyne CCCC[C@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194646 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NCC(F)(F)F ZINC000082195385 II Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)c(OC)c1 ZINC000082195483 II Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)c1 ZINC000082195485 II Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)cc1OC ZINC000082195488 II Annotated Anodyne COc1ccc(OC)c(-c2csc(N3CCC[C@H]3C(=O)NCc3ccc(F)cc3)n2)c1 ZINC000082195502 II Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082195677 II Annotated Bother O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082195678 II Annotated Bother COc1ccccc1-c1csc(N2CCC[C@@H]2C(=O)NCCc2ccccc2F)n1 ZINC000082195683 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195825 II Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195826 II Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195893 II Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195894 II Annotated Anodyne CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)cc1 ZINC000082195940 II Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc2ccccc2c1)CC3 ZINC000082196122 II Annotated Anodyne Cc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196146 II Annotated Anodyne Cc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)c1 ZINC000082196147 II Annotated Anodyne CCCC[C@@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196166 II Annotated Anodyne CCCC[C@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196167 II Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1)c1ccccc1 ZINC000082196181 II Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1)c1ccccc1 ZINC000082196182 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082199908 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082199911 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082199912 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082199915 II Annotated Anodyne Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1cccc(C(F)(F)F)c1 ZINC000082204390 II Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205662 II Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205880 II Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205902 II Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205906 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205916 II Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082206011 II Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206074 II Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206076 II Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206100 II Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206101 II Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206290 II Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206292 II Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206321 II Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206324 II Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C(C)C)N2 ZINC000082206580 II Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206582 II Annotated Anodyne C[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207183 II Annotated Anodyne C[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207185 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C)N2 ZINC000082207201 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C)N2 ZINC000082207205 II Annotated Anodyne C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207216 II Annotated Anodyne C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207219 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207280 II Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207281 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207317 II Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207319 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207326 II Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207328 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207555 II Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207557 II Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207602 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207667 II Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207670 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207979 II Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207982 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](CC)N2 ZINC000082207988 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC)N2 ZINC000082207991 II Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207999 II Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208002 II Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208003 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208277 II Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082208734 II Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082208739 II Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082208756 II Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209025 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082209412 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082209414 II Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209605 II Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209608 II Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082209616 II Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082209620 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209848 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209851 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209869 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209872 II Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209878 II Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209879 II Annotated Anodyne C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211410 II Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211412 II Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211423 II Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211425 II Annotated Anodyne CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211577 II Annotated Anodyne CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211744 II Annotated Anodyne C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212205 II Annotated Anodyne C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212208 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 ZINC000082212231 II Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 ZINC000082212233 II Annotated Anodyne C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212239 II Annotated Anodyne C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212242 II Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212318 II Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212320 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082213133 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082213134 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082213135 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082213136 II Annotated Anodyne CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082214879 II Annotated Bother CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082214881 II Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216945 II Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216947 II Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216981 II Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082219693 II Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082219694 II Annotated Anodyne CCc1cnc(-c2cnc(N3CCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082219794 II Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219844 II Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219847 II Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219851 II Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219856 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC ZINC000082220552 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC ZINC000082220553 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC ZINC000082220555 II Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC ZINC000082220556 II Annotated Anodyne Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082221501 II Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CCCN1CCCC1=O ZINC000082221790 II Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCc3cccs3)ncnc21 ZINC000082222804 II Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCc3cccs3)ncnc21 ZINC000082222806 II Annotated Anodyne Cc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(C3CCC3)nn4CC(F)(F)F)C2)cc1 ZINC000082222863 II Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222867 II Annotated Anodyne O=C(C1CCCCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222874 II Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082222889 II Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1CC1CCCCC1)C[C@H](Cc1ccccc1)N2 ZINC000082224105 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082224360 II Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082224362 II Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082224441 II Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082224443 II Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082224449 II Annotated Anodyne CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000082230776 II Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000082230777 II 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(N(C)C)cc1 ZINC000082231002 II 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(N(C)C)cc1 ZINC000082231003 II 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(N(C)C)cc1 ZINC000082231004 II 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(N(C)C)cc1 ZINC000082231005 II 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)cc1 ZINC000082231022 II 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)cc1 ZINC000082231023 II 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)cc1 ZINC000082231024 II 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)cc1 ZINC000082231025 II Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)cc1 ZINC000082231161 II Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(O)cc1 ZINC000082231162 II Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)cc1 ZINC000082231163 II Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(O)cc1 ZINC000082231164 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000082231177 II Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000082231178 II Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000082231185 II Annotated Mild CCCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000082231186 II Annotated Mild CCOC(=O)CCc1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231423 II Annotated Anodyne CCCCc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082231593 II Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082232179 II Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082232180 II Annotated Anodyne CCS(=O)(=O)c1ccc(-c2noc([C@@H](C)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 ZINC000084406520 II Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@@H](Cc3ccc(O)cc3)C(N)=O)no2)cc1 ZINC000084462334 II Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@H](Cc3ccc(O)cc3)C(N)=O)no2)cc1 ZINC000084462335 II Annotated Anodyne O=C(NC1(C(=O)O)CCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084586613 II Annotated Anodyne O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000084587300 II Annotated Reactive O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000084587302 II Annotated Reactive COc1cc(-c2cn([C@@H]3C[C@H](C4CCCCC4)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084587609 II Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@H](C4CCCCC4)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084587612 II Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@@H](C4CCCCC4)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084587616 II Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C4CCCCC4)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084587619 II Annotated Anodyne CN(C(=O)Nc1cnc(-c2ccccc2)cn1)C1CCC2(CC1)OC(=O)c1ccncc12 ZINC000084596637 II Annotated Anodyne O=C(O)c1cnc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)s1 ZINC000084602217 II Annotated Anodyne O=C(O)c1csc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)n1 ZINC000084602724 II Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cncc(Br)c3cn2)c1F ZINC000084602971 II Annotated Anodyne CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CCC(=O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1 ZINC000084603843 II Annotated Anodyne CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CCC(=O)[C@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1 ZINC000084603845 II Annotated Anodyne C[C@@H](c1nc(-c2ccccn2)no1)n1c(=O)n(-c2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC000084603948 II Annotated Mild C[C@H](c1nc(-c2ccccn2)no1)n1c(=O)n(-c2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC000084603949 II Annotated Mild Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c(Cl)c(Cl)ccc32)ccn1 ZINC000084604388 II Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(Cl)c(Cl)cc32)ccn1 ZINC000084604392 II Annotated Anodyne CC(C)c1ccc(NC(=O)c2cccnc2C2CC2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084614897 II Annotated Anodyne CCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2 ZINC000084615790 II Annotated Anodyne O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cccc([N+](=O)[O-])c1 ZINC000084616801 II Annotated Reactive O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000084616803 II Annotated Reactive COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N(C)C(C)(C)C)s3)ncn1CC2 ZINC000084617270 II Annotated Anodyne CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(C#N)c3)n2)CC1 ZINC000084619480 II Annotated Mild O=C(Nc1ccc(-c2nnc(NCCCN3CCC(F)CC3)o2)cc1)c1ccccc1F ZINC000084632315 II Annotated Anodyne O=C(Nc1ccc(-c2nnc(NCCCN3C[C@@H]4CC[C@H]3C4)o2)cc1)c1ccccc1F ZINC000084632317 II Annotated Anodyne COCCNc1nc(NC(c2ccccc2)c2ccccc2)c2c(n1)C(=O)N(C(C)C)C2 ZINC000084633349 II Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cc(CO)nc4ccccc34)C[C@@H]1O2 ZINC000084634774 II Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cc(CO)nc4ccccc34)C[C@@H]1O2 ZINC000084634776 II Annotated Anodyne CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)OC(=O)c1ccccc12 ZINC000084635816 II Annotated Anodyne COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1 ZINC000084636079 II Annotated Anodyne C=C1C(C(=O)OCC)=CN(CC)c2cc(O[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 ZINC000084640990 II Annotated Anodyne C=C1C(C(=O)OCC)=CN(CC)c2cc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 ZINC000084640994 II Annotated Anodyne CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000084652334 II Annotated Bother N=C(N)c1ccc2nc(-c3cccnc3-c3nc4ccc(C(=N)N)cc4s3)sc2c1 ZINC000084652417 II Annotated Anodyne O=C(O)c1c(-c2cn[nH]n2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000084652707 II Annotated Anodyne CCN(CC)C(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000084652797 II Annotated Anodyne CCN(CC)C(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000084652798 II Annotated Anodyne COc1cc(C(=O)/N=C(/N)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC000084653048 II Annotated Mild C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000084653049 II Annotated Anodyne C[C@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000084653050 II Annotated Anodyne C=C(c1ccc(F)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084653712 II Annotated Reactive C=C(c1ccc(F)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084653713 II Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084653714 II Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084653715 II Annotated Reactive C=C(c1ccc(F)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653716 II Annotated Reactive C=C(c1ccc(F)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653717 II Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653718 II Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653719 II Annotated Reactive CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4n[nH]c5ccccc45)CC3)C2)cc1 ZINC000084668675 II Annotated Anodyne O=C1Cc2cccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)c2N1 ZINC000084669888 II Annotated Anodyne COC(=O)Oc1c(OC)cc2ccnc3c2c1-c1c(cc(OC)c(OC)c1OC)CC3 ZINC000084670518 II Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@H]4C=C[C@@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000084671588 II Annotated Reactive O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@H]4C=C[C@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000084671589 II Annotated Reactive O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@@H]4C=C[C@@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000084671590 II Annotated Reactive O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@@H]4C=C[C@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000084671591 II Annotated Reactive O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3Cl)C2=O)cc1 ZINC000084671686 II Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 ZINC000084671687 II Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000084671688 II Annotated Anodyne O=C(/C=C/C1CCCCC1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000084672328 II Annotated Anodyne O=C(/C=C/C1CCCCC1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000084672329 II Annotated Anodyne CN(C)C(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 ZINC000084672545 II Annotated Anodyne CN(C)C(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 ZINC000084672546 II Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cccc(F)c5)c4[C@]2(CCN3C)CC1=O ZINC000084687221 II Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccccc5F)c4[C@]2(CCN3C)CC1=O ZINC000084687528 II Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccc(F)cc5)c4[C@]2(CCN3C)CC1=O ZINC000084687530 II Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccccc5C)c4[C@]2(CCN3C)CC1=O ZINC000084687852 II Annotated Mild COc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1 ZINC000084687917 II Annotated Clean C[C@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN ZINC000084687939 II Annotated Anodyne C[C@@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN ZINC000084687940 II Annotated Anodyne Cc1nc(NC(=O)C(C)(C)C)sc1-c1nc(N)sc1-n1cc(-c2ccccc2)nn1 ZINC000084688737 II Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cccc(C)c5)c4[C@]2(CCN3C)CC1=O ZINC000084688738 II Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccc(C)cc5)c4[C@]2(CCN3C)CC1=O ZINC000084688739 II Annotated Mild N=C(N)SCc1cc(F)ccc1Sc1c(CSC(=N)N)cccc1[N+](=O)[O-] ZINC000084689895 II Annotated Bother CCCN(C(=O)c1csc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000084690397 II Annotated Bother CC1(C)CC[C@]2(CC[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)C[C@@H](O)[C@H](O)[C@@]3(C)CO)[C@H]2O)C1 ZINC000084690903 II Annotated Anodyne COc1cc(C2=NO[C@H](c3nc4c(C)cc(Cl)cc4c(=O)o3)C2)cc(OC)c1OC ZINC000084704562 II Annotated Anodyne COc1cc(C2=NO[C@@H](c3nc4c(C)cc(Cl)cc4c(=O)o3)C2)cc(OC)c1OC ZINC000084704564 II Annotated Anodyne CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2cc([N+](=O)[O-])ccc2c1=O ZINC000084704993 II Annotated Bother COc1cc(C)cc2c1C(=O)C=C(c1c(C)c(OC)c3ccc(O)c(OC)c3c1O)C2=O ZINC000084705152 II Annotated Mild COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1OC ZINC000084705837 II Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@H](c1cccs1)N2 ZINC000084709384 II Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@@H](c1cccs1)N2 ZINC000084709386 II Annotated Anodyne CC(C)N1C(=O)[C@H](CCn2cnc3c(OCc4ccccc4)ncnc32)[C@H]1c1ccccc1 ZINC000084709427 II Annotated Anodyne c1ccc2c(c1)nc(NCCNCCNc1nc3ccccc3n3cccc13)c1cccn12 ZINC000084711005 II Annotated Anodyne N=C(N)SCc1cc(F)ccc1Sc1ccc([N+](=O)[O-])cc1CSC(=N)N ZINC000084711354 II Annotated Bother COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)N3CCCC3)cc2C1 ZINC000084711587 II Annotated Anodyne CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN ZINC000084712915 II Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@H](c1ccc(F)cc1)N2 ZINC000084713396 II Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@@H](c1ccc(F)cc1)N2 ZINC000084713398 II Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3c[nH]c4ccccc34)c(Cc3ccc4c(c3)OCO4)cc(=O)n21 ZINC000084714725 II Annotated Anodyne COc1cc(CNC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000084723056 II Annotated Bother COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)c3cccnc3)cc2C1 ZINC000084724762 II Annotated Anodyne CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2)C1(C)C)c1ccccc1 ZINC000084727551 II Annotated Anodyne O[C@H](CSc1nnnn1-c1ccccc1)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000084728364 II Annotated Anodyne O[C@@H](CSc1nnnn1-c1ccccc1)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000084728369 II Annotated Anodyne N=C(N)c1ccc2nc(-c3ccncc3-c3nc4ccc(C(=N)N)cc4s3)sc2c1 ZINC000084728654 II Annotated Anodyne CCC(=O)c1ccc(N(C)C(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 ZINC000084729561 II Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1(C)C ZINC000084729713 II Annotated Anodyne COC(=O)c1ccc(OC)c(-c2c(=O)ccn3nc(Oc4ccc(F)cc4F)ccc23)c1 ZINC000084741097 II Annotated Anodyne CS(=O)(=O)Nn1c(SC2CCCCC2)nc2sc(-c3ccccc3)cc2c1=O ZINC000084742169 II Annotated Anodyne O=S(=O)(CCNCC1CC1)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1 ZINC000084742349 II Annotated Anodyne C=C(C)/C=C\C(=C)S(=O)(=O)N[C@H](/C(=C/c1ccco1)[N+](=O)[O-])c1ccc(OC)cc1 ZINC000084757037 II Annotated Mild C=C(C)/C=C\C(=C)S(=O)(=O)N[C@@H](/C(=C/c1ccco1)[N+](=O)[O-])c1ccc(OC)cc1 ZINC000084757039 II Annotated Mild O=C(CCCC[C@@H]1CCSS1)Oc1ccccc1C(=O)OCCCCO[N+](=O)[O-] ZINC000084758075 II Annotated Reactive CC(C)c1ccc(C(=O)N(C)CCN2CCN(C(=O)c3cccc4ccoc34)CC2)cc1 ZINC000084758239 II Annotated Anodyne in-man COc1cc(OC)c(C23CC4CC(CC(C4)C2)C3)cc1C(=O)OCc1cc(=O)c(O)co1 ZINC000084758452 II Annotated Anodyne COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000084759575 II Annotated Anodyne COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000084759576 II Annotated Anodyne COc1ccc2nc(O)c([C@@H](c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1 ZINC000008582726 II Annotated Anodyne COc1ccc2nc(O)c([C@H](c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1 ZINC000008582727 II Annotated Anodyne CCc1ccc(NC(=O)CSc2nc3[nH]nc(C)c3c(=N)n2-c2ccc(C)cc2)cc1 ZINC000008583583 II Annotated Anodyne CCc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2)nc2[nH]nc(C)c2c1=N ZINC000008583597 II Annotated Anodyne CCc1ccccc1NC(=O)CSc1nc2[nH]nc(C)c2c(=N)n1-c1cccc(C)c1 ZINC000008583951 II Annotated Anodyne Cc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3cc4ccccc4oc3=O)[nH]c(=O)c12 ZINC000008588232 II Annotated Anodyne CCOc1ccc(NC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)cc1 ZINC000008588984 II Annotated Anodyne CCOc1ccc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)cc1 ZINC000008588985 II Annotated Anodyne CC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccc(C)cc3)c1-n1cccc1)OCO2 ZINC000008592161 II Annotated Anodyne Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000008595502 II Annotated Anodyne Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000008595504 II Annotated Anodyne CCN(CCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12)c1ccccc1 ZINC000008596461 II Annotated Anodyne O=c1cc2nc(-c3ccccc3F)nc(SCc3ccc(Br)cc3)n2[nH]1 ZINC000008603090 II Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(C(C)=O)cc4)c32)cc1 ZINC000008604204 II Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(F)cc4C)c32)cc1 ZINC000008604369 II Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N4CCCc5ccccc54)c32)cc1 ZINC000008604384 II Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(C)c(F)c4)c32)cc1 ZINC000008604398 II Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N4CCCc5ccccc54)c32)cc1 ZINC000008604624 II Annotated Anodyne CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000008604708 II Annotated Anodyne CCOc1ccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1 ZINC000008604988 II Annotated Anodyne CCOc1ccc(NC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1 ZINC000008604990 II Annotated Anodyne Cc1cc(=O)n([C@@H](C)C(=O)N2CCCc3ccccc32)c2c1c(C)nn2-c1ccccc1 ZINC000008605079 II Annotated Anodyne Cc1cc(=O)n([C@H](C)C(=O)N2CCCc3ccccc32)c2c1c(C)nn2-c1ccccc1 ZINC000008605081 II Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000008605101 II Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000008605102 II Annotated Anodyne CCOc1ccc(NC(=O)[C@@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1 ZINC000008605127 II Annotated Anodyne CCOc1ccc(NC(=O)[C@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1 ZINC000008605129 II Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@@H](C)C(=O)NCc3ccc(C)cc3)c21 ZINC000008605308 II Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)NCc3ccc(C)cc3)c21 ZINC000008605309 II Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@@H](C)C(=O)NCCc3ccccc3)c21 ZINC000008605320 II Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)NCCc3ccccc3)c21 ZINC000008605321 II Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@@H](C)C(=O)NCc3ccccc3OC)c21 ZINC000008605324 II Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)NCc3ccccc3OC)c21 ZINC000008605325 II Annotated Anodyne CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1 ZINC000008605637 II Annotated Anodyne COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(OC)cc4OC)cc3o2)cc1 ZINC000008611561 II Annotated Anodyne COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)Nc1ccc(F)cc1 ZINC000008617867 II Annotated Anodyne CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@@H]2C ZINC000008659935 II Annotated Mild COC(=O)c1c(CSc2ccc(C)c(C)c2)noc1C(=O)NCc1ccc(OC)cc1 ZINC000008666561 II Annotated Anodyne CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)cc2c1 ZINC000008666945 II Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 ZINC000008670139 II Annotated Reactive O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1 ZINC000008680269 II Annotated Anodyne aggregator C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4[C@@H](O)CC4=CC(=O)CC[C@@]45C)[C@@H]3C(=O)N2C1 ZINC000008681839 II Annotated Mild C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5[C@@H](O)CC6=CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C(=O)N2C1 ZINC000008681841 II Annotated Mild CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(S(=O)(=O)N3CCCCC3)cc1)=NO2 ZINC000008685596 II Annotated Anodyne aggregator CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(S(=O)(=O)N3CCCCC3)cc1)=NO2 ZINC000008685597 II Annotated Anodyne aggregator CCOc1cc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000008686405 II Annotated Anodyne CN(NC(=S)Nc1ccc(OC(F)F)cc1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000008687665 II Annotated Anodyne C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008687773 II Annotated Mild C/C(=N\Nc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008692565 II Annotated Mild Cn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccc(Br)cc1 ZINC000008716743 II Annotated Anodyne CC[C@@H](C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c1 ZINC000008828497 II Annotated Anodyne CC[C@H](C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c1 ZINC000008828498 II Annotated Anodyne O=C(NCC1CC1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008829591 II Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000008829758 II Annotated Anodyne COc1ccc(/C=C2/N=C(SCC(=O)Nc3cc(C)on3)N(c3ccccc3)C2=O)cc1 ZINC000008829961 II Annotated Anodyne CCOC(=O)C[C@H](NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)c1ccc(C)cc1 ZINC000008831144 II Annotated Anodyne CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)c1ccc(C)cc1 ZINC000008831146 II Annotated Anodyne CCOc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000008974366 II Annotated Mild COc1ccccc1NC1=C/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2C1=O ZINC000008974406 II Annotated Mild COc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1 ZINC000008974409 II Annotated Mild CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1O ZINC000085492963 II Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCC[C@H](CCCC/C(=C/C(=O)O)CN=C(N)N)Cc1ccc(O)cc1 ZINC000085510408 II Annotated Mild in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@@H](O)C[C@@H]3CCC[C@H](C[C@H](O)CC2)N31 ZINC000085511838 II Annotated Anodyne in-vitro biogenic COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1cc2c(c(C(C)=O)c1O)OC(C)(C)C=C2 ZINC000085511974 II Annotated Anodyne in-vitro biogenic CCCC(=O)c1c(O)cc(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c1O ZINC000085529878 II Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532600 II Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532602 II Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#CCc2cc(O)ccc2C[C@H]2CCC[C@@H]3C2)[C@@H]41 ZINC000085543123 II Annotated Mild in-vitro biogenic C[C@]12CCC[C@@H]3C[C@@]4(O1)[C@@H]1CCC[C@@H](Cc5ccc(O)cc5CC#C[C@@H]4[C@@](N)(CCO)[C@@H]32)C1 ZINC000085543164 II Annotated Mild in-vitro biogenic CC1(C)O[C@]23[C@H]4CC[C@@H]5[C@H](CCC[C@H]52)Cc2ccc(O)cc2CC#C[C@H]3[C@@](N)(CCO)[C@H]1C4 ZINC000085543171 II Annotated Mild in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCCO)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1CCC[C@H]3C1 ZINC000085543196 II Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@@H]1CC[C@@H]2C=C[C@@H]3[C@@H](O)C=CO[C@@H]3[C@H]2C1 ZINC000085544800 II Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@@]2([C@H]1CCC[C@H]([C@H](O)CCO)C1)[C@@H](N)C=O ZINC000085544879 II Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)(C1(C)C)[C@]2(O)OC ZINC000085546285 II Annotated Mild in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2CC[C@H]3C[C@H]4CCC5(CCCC5)[C@H]4N[C@H]3[C@@H]2[C@]2(O)CN12 ZINC000085547749 II Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@H]1CC[C@@H]2CCC3(CCCC3)[C@@H]2N1 ZINC000085547758 II Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@H]2C[C@@H]3CC[C@H]4CCC[C@@]45CC[C@@H]3[C@H]5N2)[C@@]2(O)CN12 ZINC000085547765 II Annotated Anodyne in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@H]1CC=C[C@@H](C3=O)[C@@]412 ZINC000085549566 II Annotated Reactive in-vitro biogenic C=C(CCCc1ccccc1)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549834 II Annotated Mild in-vitro biogenic CC1(C)O[C@@]23CC[C@@]4(C)[C@@](O)(CC[C@H]5Cc6c([nH]c7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3 ZINC000085564437 II Annotated Mild COc1cc([C@H]2Oc3c(c4c(c5c3CCCO5)-c3ccc(O)cc3CC4)C[C@H]2O)ccc1O ZINC000085568219 II Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1ccc(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c3c1CCCO3)O2 ZINC000085568669 II Annotated Anodyne in-vitro biogenic CCCC[C@H](CNCCC)COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592742 II Annotated Clean in-vitro biogenic CCCCC[C@H](CCCO)OC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592748 II Annotated Clean in-vitro biogenic O[C@@H]1c2cc(OC3CCCC3)ccc2OC[C@@H]1[C@@H]1COc2ccc3c(c2[C@@H]1O)CCCO3 ZINC000085593009 II Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC4CCCCC4)cc3[C@@H]1O)CO2 ZINC000085593030 II Annotated Anodyne in-vitro biogenic C/C=C/C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@@]34CC[C@H](O)C(C)(C)[C@@H]3CC[C@H](C)[C@@]4(C)C2)C1=O ZINC000085593372 II Annotated Mild C[C@@]1(C/C=C/c2ccccc2)Oc2cc3oc(C4(O)CCCC4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593560 II Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CCC(C)C)C3 ZINC000085594176 II Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CCC(C)C)C3 ZINC000085594179 II Annotated Anodyne in-vitro biogenic CC(C)CCc1c(CO)oc2cc3c(c(OC4CCCC4)c2c1=O)C[C@@H](C(C)(C)O)O3 ZINC000085594484 II Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C2CC[C@@H](C(C)C)C=C2c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595036 II Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCCc4ccccc4)c21)C[C@@H](C(C)(C)O)O3 ZINC000085595064 II Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C1CCCCC1 ZINC000085595316 II Annotated Anodyne in-vitro biogenic CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCc2cc3ccc(O)cc3cc2CO)c1 ZINC000085597490 II Annotated Anodyne in-vitro biogenic C[C@H]1O[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O ZINC000085599964 II Annotated Bother C[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O ZINC000085599966 II Annotated Bother C[C@@H]1O[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O ZINC000085599968 II Annotated Bother C[C@@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O ZINC000085599970 II Annotated Bother CCCC[C@H](CC1=C[CH+]N=C1)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O ZINC000085624660 II Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)CC1=C[CH+]N=C1 ZINC000085624677 II Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCCC3)c2)ccc1O ZINC000085625592 II Annotated Clean in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)CCCCCCc2cccc(O)c2)cc(OC)c1O ZINC000085627110 II Annotated Clean in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1ccc(N)nc1 ZINC000085630726 II Annotated Mild in-vitro biogenic COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000085635048 II Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000085635051 II Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000085635054 II Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl ZINC000085635055 II Annotated Reactive in-man CC1(C)C(Br)=C[C@H]2O[C@@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O ZINC000085637047 II Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@@H](C)C2 ZINC000085648156 II Annotated Anodyne C[C@H]1CC[C@]2(C)N(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 ZINC000085648660 II Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@@]2(C)N(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 ZINC000085648664 II Annotated Anodyne in-vitro biogenic C[C@@H](C[C@@H]1[C@H](O)C(C)(C)C(=O)N1C(=O)C[C@@H](C)C(Cl)Cl)C(Cl)(Cl)Cl ZINC000085662472 II Annotated Reactive CC(C)=CCC1=C(OC(=O)C(C)C)C(=O)C2=C(C1=O)[C@H]1C[C@](C)(CC[C@H]1C(C)(C)O)O2 ZINC000085725301 II Annotated Mild CCO[C@H]1c2cc(OC)c(OC)c(OC)c2C2(C=C(OC)C(=O)C(OC)=C2)C[C@@H](C)[C@@H]1C ZINC000085759105 II Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000085832712 II Annotated Anodyne CCCCC(Br)(Br)[C@H](O)C(Br)Br ZINC000085922000 II Annotated Reactive C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2[C@H]([C@@H](C)O)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000085940131 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2[C@H]([C@@H](C)O)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000085940135 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@H]1[C@H](OC(=O)[C@H](C)CC)C(=O)[C@H]2[C@@H](C)O ZINC000085940137 II Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@H]1[C@H](OC(=O)[C@@H](C)CC)C(=O)[C@H]2[C@@H](C)O ZINC000085940142 II Annotated Mild in-man CC(=O)C[C@H]1C(=O)C(CO)=CC[C@@](C)(CC[C@H]2OC2(C)C)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000085981491 II Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)C ZINC000085989523 II Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989532 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C=C(C)C ZINC000085989559 II Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C=C\SC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989758 II Annotated Anodyne CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038601 II Annotated Mild in-man CC(C)(O)[C@@H]1O[C@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038606 II Annotated Mild in-man CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038612 II Annotated Mild in-man CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038619 II Annotated Mild in-man CC[C@@H](CO)[C@@H](O)C[C@@H](O)[C@H](C)CC[C@H](C)CCC[C@@]1(C)[C@H](CC)C(=O)C=C[C@@]1(C)O ZINC000086053223 II Annotated Mild in-man CC[C@@H](CO)[C@@H](O)C[C@@H](O)[C@H](C)CC[C@H](C)CCC[C@@]1(C)[C@@H](CC)C(=O)C=C[C@@]1(C)O ZINC000086053224 II Annotated Mild in-man CC[C@@H](CO)[C@@H](O)C[C@@H](O)[C@H](C)CC[C@H](C)CCC[C@@]1(C)[C@H](CC)C(=O)C=C[C@]1(C)O ZINC000086053225 II Annotated Mild in-man CC[C@@H](CO)[C@@H](O)C[C@@H](O)[C@H](C)CC[C@H](C)CCC[C@@]1(C)[C@@H](CC)C(=O)C=C[C@]1(C)O ZINC000086053226 II Annotated Mild in-man CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1Cl)[C@H](N)CC2 ZINC000088260916 II Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1Cl)[C@H](N)CC2 ZINC000088260917 II Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1Cl)[C@@H](N)CC2 ZINC000088260918 II Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1Cl)[C@@H](N)CC2 ZINC000088260919 II Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1Cl ZINC000088260920 II Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1Cl ZINC000088260921 II Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1Cl ZINC000088260922 II Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1Cl ZINC000088260923 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260971 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260972 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260973 II Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260974 II Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@H](N)CC2 ZINC000088260975 II Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@H](N)CC2 ZINC000088260976 II Annotated Anodyne CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)C1 ZINC000088261130 II Annotated Anodyne CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)C1 ZINC000088261131 II Annotated Anodyne CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)C1 ZINC000088261132 II Annotated Anodyne CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)C1 ZINC000088261133 II Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000088261161 II Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000088261162 II Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000088261163 II Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000088261164 II Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3c(C#N)cccc23)C(F)(F)F)c(C)c1 ZINC000088265809 II Annotated Mild Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3c(C#N)cccc23)C(F)(F)F)c(C)c1 ZINC000088265811 II Annotated Mild O=C(N[C@H](CO)c1ccccc1)C1=NC=C(C2=C(c3cccc(C(F)(F)F)c3)CN=N2)C1 ZINC000089469252 II Annotated Anodyne O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1Cl ZINC000009090469 II Annotated Reactive CCOC(=O)C1=C(NC(=O)c2oc3ccccc3c2COC)Nc2ccccc2N=C1C ZINC000009130826 II Annotated Anodyne CC(C)Cn1cc(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)c2ccccc2c1=O ZINC000009227622 II Annotated Anodyne O=C1N=C(O)[C@@H]([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N1C1CCCCC1 ZINC000009358857 II Annotated Anodyne O=C1N=C(O)[C@@H]([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N1C1CCCCC1 ZINC000009358859 II Annotated Anodyne O=C1N=C(O)[C@H]([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N1C1CCCCC1 ZINC000009358862 II Annotated Anodyne O=C1N=C(O)[C@H]([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N1C1CCCCC1 ZINC000009358867 II Annotated Anodyne O=C(Cc1cn2ccsc2n1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009403708 II Annotated Reactive CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000009407551 II Annotated Anodyne COc1ccc(OC)c2c1s/c(=N/C(=O)c1cc3c(ccc4ccccc43)oc1=O)n2C ZINC000009489635 II Annotated Bother Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000009504746 II Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N[C@H](C)CC)c3ccccc3C(=O)N1CC2 ZINC000009560415 II Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N[C@@H](C)CC)c3ccccc3C(=O)N1CC2 ZINC000009560416 II Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N[C@H](C)CC)c3ccccc3C(=O)N1CC2 ZINC000009560417 II Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N[C@@H](C)CC)c3ccccc3C(=O)N1CC2 ZINC000009560418 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009560828 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009560829 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009560830 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009560831 II Annotated Anodyne Cc1cccc2sc(NC(=O)[C@H](NS(=O)(=O)c3cccs3)c3ccccc3)nc12 ZINC000009597733 II Annotated Anodyne Cc1cccc2sc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)c3ccccc3)nc12 ZINC000009597734 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(C)C)[C@H]1c1c[nH]c2ccccc12 ZINC000009602858 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC(C)C)[C@H]1c1c[nH]c2ccccc12 ZINC000009602863 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(C)C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009602867 II Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC(C)C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009602873 II Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2[C@H]1Nc1ccc(F)cc1 ZINC000009609140 II Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2[C@@H]1Nc1ccc(F)cc1 ZINC000009609143 II Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3ccccc3F)ccc2[C@H]1Nc1ccccc1F ZINC000009609251 II Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3ccccc3F)ccc2[C@@H]1Nc1ccccc1F ZINC000009609253 II Annotated Anodyne Cc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(C(=O)NCc3ccccn3)c2)C(=O)N1 ZINC000009615262 II Annotated Anodyne COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)o1 ZINC000009639863 II Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N[C@@H](C)c4ccccc4)c32)cc1 ZINC000009645203 II Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N[C@H](C)c4ccccc4)c32)cc1 ZINC000009645205 II Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(CC(C)C)CC(C)C)c21 ZINC000009673099 II Annotated Anodyne COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2c(C)noc2C)cc1)N1CCCC1 ZINC000009729440 II Annotated Anodyne COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2c(C)noc2C)cc1)N1CCCC1 ZINC000009729442 II Annotated Anodyne CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000009767980 II Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776174 II Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776175 II Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776176 II Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776177 II Annotated Anodyne C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(Cc2cc(=O)n3ccccc3n2)C1=O ZINC000009834155 II Annotated Anodyne C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(Cc2cc(=O)n3ccccc3n2)C1=O ZINC000009834158 II Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936396 II Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936729 II Annotated Anodyne CCN(CC)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936732 II Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936737 II Annotated Anodyne CCN(CC)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936741 II Annotated Anodyne CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1 ZINC000095351638 II Annotated Reactive COc1cccc2cc(S(=O)(=O)c3ccccc3)c(=Nc3ccc4c(c3)OCCO4)oc12 ZINC000095545569 II Annotated Anodyne aggregator Cc1ccc(C(C)C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000095553307 II Annotated Anodyne CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095553420 II Annotated Anodyne O=C(O)C[C@](O)(C[C@@H](O)CCCCC[C@@H]1c2ccccc2-c2cc(Cl)ccc21)C(=O)O ZINC000095553968 II Annotated Anodyne O=C(O)C[C@](O)(C[C@@H](O)CCCCC[C@H]1c2ccccc2-c2cc(Cl)ccc21)C(=O)O ZINC000095553969 II Annotated Anodyne COc1cc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc(OC)c1O ZINC000095554227 II Annotated Anodyne COc1cc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc(OC)c1O ZINC000095554228 II Annotated Anodyne O=C(c1cnc2ccccc2n1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000095555066 II Annotated Anodyne Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OCC2CC2)n(-c2ccccc2F)n1 ZINC000095555245 II Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=CC23C[C@@H]4CC(C[C@@H](C4)C2)[C@H]31 ZINC000095556719 II Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=CC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]31 ZINC000095556720 II Annotated Mild CCOC(=O)CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095557008 II Annotated Anodyne COc1cc2[nH]c(-c3cccc(Oc4ccccc4)c3)c(C(=O)OCCO)c(=O)c2cc1F ZINC000095557052 II Annotated Anodyne CCCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 ZINC000095557201 II Annotated Mild Cc1nc(Cn2nc3ccc(-c4ccc(Oc5ccc(Cl)cc5)cc4)cn3c2=O)no1 ZINC000095558358 II Annotated Anodyne COCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC(F)(F)C2 ZINC000095558866 II Annotated Anodyne O=c1c(CN(CCO)Cc2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000095559166 II Annotated Anodyne O=C(Nc1sc2c(c1C(=O)NCC1CC1)CCOC2)c1c(F)cccc1C(F)(F)F ZINC000095559344 II Annotated Anodyne Cc1noc(Cn2nc3ccc(-c4ccc(Oc5ccc(Cl)cc5)cc4)cn3c2=O)n1 ZINC000095560096 II Annotated Anodyne O=c1nc(N(Cc2ccccn2)c2cccnc2)oc2c(OCc3ccccn3)cccc12 ZINC000095560516 II Annotated Anodyne COc1cc([C@H]2O[C@@]3(c4cc(OC)c(OC)c(OC)c4)O[C@@]3(C)[C@@H]2C)cc(OC)c1OC ZINC000095561743 II Annotated Anodyne C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C ZINC000095562296 II Annotated Reactive Cn1c(-c2ccc(OCCOCCO)cc2)[n+](C)c2c3ccccc3c3ccccc3c21 ZINC000095563201 II Annotated Bother O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1ccccc1C(F)(F)F ZINC000095563882 II Annotated Anodyne C[C@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)C[C@@H](C)O1 ZINC000095564469 II Annotated Anodyne C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 ZINC000095564537 II Annotated Reactive C[C@@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 ZINC000095564538 II Annotated Reactive C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 ZINC000095564539 II Annotated Reactive C[C@@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 ZINC000095564540 II Annotated Reactive O=C(Cc1cnn(-c2ccc(F)cc2)c1Br)NCc1ccc(F)cc1Cl ZINC000095565058 II Annotated Anodyne O=C1C(=O)N(c2cc(Br)ccc2Cl)CCN1Cc1ccc(F)cc1Cl ZINC000095565456 II Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1 ZINC000095566033 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1F ZINC000095566372 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1ccccc1F ZINC000095566373 II Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095566462 II Annotated Anodyne COc1ccc([C@@H](C(=O)NC(C)(C)C)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095566463 II Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095566588 II Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095566589 II Annotated Anodyne CC(C)(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000095566816 II Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095567072 II Annotated Anodyne CN(C)CCN(Cc1ccccc1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095567156 II Annotated Anodyne CN(C)CCN(Cc1ccccc1)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095567157 II Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000095567531 II Annotated Anodyne CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000095567777 II Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(CCN(C)C)Cc1ccccc1 ZINC000095567817 II Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(CCN(C)C)Cc1ccccc1 ZINC000095567818 II Annotated Anodyne CCCCCNC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567950 II Annotated Mild CCCCCNC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567951 II Annotated Mild CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000095568222 II Annotated Clean C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(CCCCCCCC)C1=O ZINC000095568451 II Annotated Mild CC(C)(C)NC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095568733 II Annotated Mild CC(C)(C)NC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095568734 II Annotated Mild O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4cccs4)nn23)CC1 ZINC000095568953 II Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095569285 II Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095569314 II Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095569315 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569349 II Annotated Mild CC(C)(C)NC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569350 II Annotated Mild COc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)[C@H]1CC=C(COC(C)=O)CN1CC3 ZINC000095569460 II Annotated Anodyne COc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)[C@@H]1CC=C(COC(C)=O)CN1CC3 ZINC000095569461 II Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H](c1cc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000095569724 II Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](c1cc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000095569725 II Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000095570126 II Annotated Bother COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(P(=O)(OC)OC)[C@@H]1c1ccccc1 ZINC000095570429 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](C)CO[C@H]2CC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000095570457 II Annotated Anodyne CN1OC[C@@H]2CN(C(=O)NC3CCCCC3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000095570674 II Annotated Clean CCCCCN1C(=O)c2cc(OC)ccc2[C@@]2(C(=O)OCC)Cc3cc(OC)ccc3[C@@H]12 ZINC000095570716 II Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000095570785 II Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000095570786 II Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095570830 II Annotated Anodyne CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(OC)ccc12 ZINC000095570939 II Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccccc2)C1=O ZINC000095571297 II Annotated Anodyne O=C(Nc1ccc2cc(C(=O)O)cc(O)c2c1)Nc1ccc2cc(C(=O)O)cc(O)c2c1 ZINC000095571821 II Annotated Anodyne O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OCC[C@@H](O)CO)cc21 ZINC000095571927 II Annotated Anodyne CCCN1Cc2c(c3cc(OC)c(OC)c(OC)c3c3cc(OC)c(OC)cc23)[C@H](O)C1 ZINC000095572141 II Annotated Bother CCCN1Cc2c(c3cc(OC)c(OC)c(OC)c3c3cc(OC)c(OC)cc23)[C@@H](O)C1 ZINC000095572142 II Annotated Bother Cc1ccc(/C(=C\c2ccc(F)cc2)C(=O)N2CCc3ccc(C(=O)NO)cc3C2)cc1 ZINC000095572383 II Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCc1ccnc(/C=N/O)c1O)CC2 ZINC000095573279 II Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCc1ccnc(/C=N/O)c1O)CC2 ZINC000095573280 II Annotated Mild CN(C)c1ccc(CN(C)c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)cc1 ZINC000095575143 II Annotated Clean O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(Br)cc1 ZINC000095575192 II Annotated Anodyne O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(Br)cc1 ZINC000095575193 II Annotated Anodyne CS(=O)(=O)NCCCNc1c2c3ccccc3nc-2oc2ccc(Br)cc12 ZINC000095575377 II Annotated Bother OCCc1cn(C[C@H](OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1 ZINC000095575548 II Annotated Anodyne OCCc1cn(C[C@@H](OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1 ZINC000095575549 II Annotated Anodyne Cc1c2c(cn1Cc1ccccc1)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 ZINC000095576318 II Annotated Anodyne C[C@@H](c1ccccc1)N1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000095576767 II Annotated Bother C[C@H](c1ccccc1)N1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000095576768 II Annotated Bother O=C(Nc1ccn2cc(-c3ccccc3)nc2n1)c1nc(C2CC2)ccc1Nc1cncnc1 ZINC000095577677 II Annotated Anodyne CCn1cc([C@]2(c3cccc(C#CC4CC4)c3)N=C(N)c3c(F)cccc32)cc(C)c1=O ZINC000095579272 II Annotated Mild O=[N+]([O-])c1ccc(SC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000095579571 II Annotated Bother COc1cc(/C=C2\CCCN3C[C@@H](COc4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095580332 II Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](COc4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095580333 II Annotated Anodyne Cc1ncc(C)n2nc(-c3ccn4cc(-c5cccc(N6CC[C@H](F)C6)c5)nc4c3)nc12 ZINC000095580751 II Annotated Anodyne Cc1ccc(CCOCC#Cc2cccc(C#CCOCCc3ccc(C)cc3)[n+]2C)cc1 ZINC000095580918 II Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-c2cccc(N)n2)c1 ZINC000095580919 II Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2ccn[nH]2)c(F)c1 ZINC000095581286 II Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3ccc(O)c(Cl)c3)c(=O)oc12 ZINC000095581927 II Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cccnc1-c1ccccc1 ZINC000095582056 II Annotated Mild CC(C)CCN1Cc2cc(I)c(N)cc2N[C@@H](CC(C)C)C1=O ZINC000095582108 II Annotated Anodyne COc1ccc2ncc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2c1 ZINC000095582237 II Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)N(c4ccccc4)O[C@H]3C2=O)cc1 ZINC000095582676 II Annotated Anodyne Cc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n(-c2ccccc2)n1 ZINC000095582748 II Annotated Anodyne COc1ccc(C(=O)OCCCCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095583751 II Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(-c2cocn2)cc1 ZINC000095583848 II Annotated Mild Cc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl ZINC000095583862 II Annotated Anodyne Cc1ccc2c(=O)n([C@H](C)CN)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1 ZINC000095583871 II Annotated Anodyne Cc1c(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095584036 II Annotated Anodyne C=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1O ZINC000095584047 II Annotated Mild Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2ccccc2)n1 ZINC000095584285 II Annotated Mild Cn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2cscn2)cc1C#N ZINC000095584307 II Annotated Mild Cn1nccc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095584515 II Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1cncnc1 ZINC000095584665 II Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2cn[nH]c2)c(F)c1 ZINC000095584898 II Annotated Anodyne O=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)nc2c1cnn2Cc1ccncc1 ZINC000095585072 II Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F ZINC000095585296 II Annotated Anodyne O=S(=O)(Nc1cc(CO)ccc1O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000095585354 II Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@H](CCCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095585375 II Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095585376 II Annotated Anodyne Cn1nccc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095585412 II Annotated Mild Cc1n[nH]cc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095585423 II Annotated Mild Cn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095585553 II Annotated Anodyne Cn1cc(-c2ccccc2)c(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n1 ZINC000095585590 II Annotated Anodyne Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccccc1-c1ccnn1C ZINC000095585732 II Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCCN1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000095586026 II Annotated Anodyne C[C@@H](NC1=CC(=O)NCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000095586294 II Annotated Anodyne COc1ccc(-c2nc(SCCc3ccccc3)nc(N3CCOCC3)c2C#N)cc1 ZINC000095586472 II Annotated Mild COc1ccc(N(C)C(=O)Cn2c(=O)n3c4c(cc(-c5ccccc5)cc42)CCC3)cc1 ZINC000095586666 II Annotated Anodyne CC(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5cnn(C)c5c4)cc3C2)cc1 ZINC000095586675 II Annotated Anodyne NS(=O)(=O)c1cc2nc(-c3cccc(Br)c3)n3c4ccccc4oc(c1)c23 ZINC000095586944 II Annotated Bother Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1 ZINC000095587048 II Annotated Anodyne O=c1oc2ccccc2cc1-c1csc(N2N=C(C(F)(F)F)C[C@@]2(O)C(F)(F)F)n1 ZINC000095587496 II Annotated Anodyne Cc1csc(C(=O)N2CCN([C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)n1 ZINC000095587604 II Annotated Anodyne Cc1csc(C(=O)N2CCN([C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)n1 ZINC000095587605 II Annotated Anodyne NS(=O)(=O)c1cc2nc(-c3ccccc3Br)n3c4ccccc4oc(c1)c23 ZINC000095587935 II Annotated Bother CCOc1ccc2c(c1OCC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 ZINC000095588244 II Annotated Anodyne COc1ccc(-c2nc3cc4c5c(cccc5c3s2)C(=O)N(CCN(C)C)C4=O)cc1 ZINC000095588718 II Annotated Anodyne CCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(F)c(F)c1 ZINC000095588773 II Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccc(N)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095589091 II Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000095589551 II Annotated Mild Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2 ZINC000095589645 II Annotated Bother CCCC[P@](=O)(O)C1=CC[C@@H](NC(=O)CCCCCNC(=O)c2ccccc2NC)C1 ZINC000095589662 II Annotated Anodyne Cn1c(Br)c(Br)[n+](CC(=O)c2ccccc2)c1-c1ccccc1 ZINC000095589993 II Annotated Mild COc1ccc([C@H]2[C@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000095590245 II Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(CN4CCCCC4)cc3)c2C)C1=O ZINC000095590378 II Annotated Mild COc1cc(N2Cc3ccc(Cc4ccccc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095590445 II Annotated Anodyne CCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1 ZINC000095590977 II Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2Cl)C1=O ZINC000095591083 II Annotated Mild CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCCCNC(=O)c2ccccc2NC)C1 ZINC000095591528 II Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000095592034 II Annotated Anodyne Cc1cc(OCc2cnnn2-c2ccc(C=O)cc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095593159 II Annotated Anodyne CCOC(=O)[C@]1(C(=O)Nc2ccccc2Cl)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593390 II Annotated Anodyne CCOC(=O)[C@]1(C(=O)Nc2ccccc2Cl)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593786 II Annotated Anodyne CCOC(=O)[C@@]1(C(=O)Nc2ccccc2Cl)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593787 II Annotated Anodyne CCOC(=O)[C@@]1(C(=O)Nc2ccccc2Cl)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593788 II Annotated Anodyne Cc1cc(OCc2cnnn2-c2ccc(Cl)nc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095594137 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095595017 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095595018 II Annotated Anodyne COc1cc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc(OC)c1OC ZINC000095596203 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095596273 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095596274 II Annotated Anodyne Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)c1 ZINC000095596343 II Annotated Anodyne Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)c1 ZINC000095596344 II Annotated Anodyne Cc1cc(OCc2cnnn2-c2cccc([N+](=O)[O-])c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095596356 II Annotated Bother O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(Nc2ccccc2)s1 ZINC000095596385 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cn[nH]c1)c1ccc(C(C)(C)C)cc1 ZINC000095596555 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cn[nH]c1)c1ccc(C(C)(C)C)cc1 ZINC000095596556 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ncc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095598098 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ncc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095598099 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ncccn1)c1ccc(C(C)(C)C)cc1 ZINC000095598329 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ncccn1)c1ccc(C(C)(C)C)cc1 ZINC000095598330 II Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cc[nH]n1)c1ccc(C(C)(C)C)cc1 ZINC000095598341 II Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cc[nH]n1)c1ccc(C(C)(C)C)cc1 ZINC000095598342 II Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cn3)cc2)CCN1 ZINC000095598474 II Annotated Anodyne Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1 ZINC000095598477 II Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)nc3)cc2)CCN1 ZINC000095598490 II Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@@H](C)N1 ZINC000095598503 II Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3)c2)C[C@@H](C)N1 ZINC000095598519 II Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)c(F)c3)c2)C[C@@H](C)N1 ZINC000095598541 II Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 ZINC000095598554 II Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)C[C@@H](C)N1 ZINC000095598599 II Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095598760 II Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@H]1c1ccccc1 ZINC000095599048 II Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@@H]1c1ccccc1 ZINC000095599049 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 ZINC000095599180 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(C3=CCCCC3)ccc1N[C@H]2CO ZINC000095599346 II Annotated Anodyne O=C1c2c(-c3ccc(Br)cc3)noc2CCN1Cc1cn(C2CCCC2)nn1 ZINC000095599416 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095599439 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](C1CC1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000095599760 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](C1CC1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000095599761 II Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(CCC2=CCCCC2)C1=O ZINC000095599769 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000095599957 II Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000095599958 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 ZINC000095600078 II Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(c2ccccc2F)CC1 ZINC000095600456 II Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(c2ccccc2F)CC1 ZINC000095600457 II Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095600756 II Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@H]32)c1 ZINC000095600857 II Annotated Anodyne COc1ccc(-c2oc3c(c2C(=O)OCCCO)[C@@H](OCCCCCO)CCC3)cc1 ZINC000095600862 II Annotated Anodyne COc1ccc(-c2oc3c(c2C(=O)OCCCO)[C@H](OCCCCCO)CCC3)cc1 ZINC000095600863 II Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@H](CO)N3C)cc1 ZINC000095600871 II Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(-c3ccccc3)nn2)on1 ZINC000095601317 II Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(-c3ccccc3)nn2)on1 ZINC000095601318 II Annotated Anodyne COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)c(O[C@H]2CCN(C)C2)c1 ZINC000095601409 II Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000095601644 II Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000095601645 II Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@H]1c1ccc(F)cc1 ZINC000095601944 II Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@@H]1c1ccc(F)cc1 ZINC000095601945 II Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095601971 II Annotated Anodyne O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095601972 II Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095602051 II Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095602052 II Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(C#Cc3ccc(-c4ccccc4)cc3)cc2S1(=O)=O ZINC000095602083 II Annotated Mild CC[C@H](C(=O)O)N1Cc2sc(C#Cc3ccc(-c4ccccc4)cc3)cc2S1(=O)=O ZINC000095602084 II Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095602350 II Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095602360 II Annotated Mild CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(C#N)c(O)n2)=N1 ZINC000095602622 II Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095603357 II Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)c1 ZINC000095603739 II Annotated Anodyne O=c1c(-c2cccnc2)nc2ccccc2n1[C@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095604024 II Annotated Anodyne O=c1c(-c2cccnc2)nc2ccccc2n1[C@@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095604025 II Annotated Anodyne O=C(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095604331 II Annotated Mild CCCC[C@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCCO[N+](=O)[O-])c3)ccc21 ZINC000095604516 II Annotated Anodyne CCCC[C@@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCCO[N+](=O)[O-])c3)ccc21 ZINC000095604517 II Annotated Anodyne N#C[C@@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095604920 II Annotated Mild C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(OC)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095605191 II Annotated Anodyne CN1C(=O)CO[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095605333 II Annotated Anodyne CCc1c(C)sc(NC(=O)c2ccc(I)cc2)c1C(=O)OC ZINC000095605343 II Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](Cc3ccccc3)CO[C@H]2CC(=O)c2cccs2)cc1 ZINC000095605365 II Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(/C=C/c3ccc(C(F)(F)F)cc3)cc2S1(=O)=O ZINC000095605598 II Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(/C=C/c3ccc(C(F)(F)F)cc3)cc2S1(=O)=O ZINC000095605599 II Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095605659 II Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095605680 II Annotated Anodyne c1ccc([C@@H](c2ccco2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000095610678 II Annotated Anodyne c1ccc([C@H](c2ccco2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000095610679 II Annotated Anodyne C[C@]12CC[C@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000095618870 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)[C@H](C)CC ZINC000095620738 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)[C@@H](C)CC ZINC000095620739 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)[C@H](C)CC ZINC000095620740 II Annotated Anodyne in-man C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)[C@@H](C)CC ZINC000095620741 II Annotated Anodyne in-man COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095663714 II Annotated Anodyne COc1cccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)Nc3ccc(F)cc3)[C@H]2C#N)c1 ZINC000095664549 II Annotated Mild CC(C)C[C@@H]1COCc2cn(nn2)CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 ZINC000095665190 II Annotated Anodyne CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000095665453 II Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667263 II Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667267 II Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095667271 II Annotated Anodyne N#C[C@@H]1[C@H](c2ccccc2/C=C/c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095667737 II Annotated Mild N#C[C@H]1[C@@H](c2ccccc2/C=C/c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095667748 II Annotated Mild O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3F)ccc1N[C@H]2CO ZINC000095668176 II Annotated Mild O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095668268 II Annotated Mild O=C(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3F)ccc1N[C@H]2CO ZINC000095668498 II Annotated Mild O=C(N[C@@H](CC1=CN=C2C=CC=C[C@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095743557 II Annotated Anodyne O=C(N[C@@H](CC1=CN=C2C=CC=C[C@@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095743558 II Annotated Anodyne O=C(N[C@H](CC1=CN=C2C=CC=C[C@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095743568 II Annotated Anodyne O=C(N[C@H](CC1=CN=C2C=CC=C[C@@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095743569 II Annotated Anodyne C=CCOC(=O)[C@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000095748795 II Annotated Mild COc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1OC ZINC000095748978 II Annotated Anodyne COc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1OC ZINC000095748979 II Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 ZINC000095748982 II Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 ZINC000095748983 II Annotated Anodyne COc1ccc(OC)c([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 ZINC000095748986 II Annotated Anodyne COc1ccc(OC)c([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 ZINC000095748987 II Annotated Anodyne O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1=CN=C2C=CC=C[C@H]12 ZINC000095750800 II Annotated Anodyne O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1=CN=C2C=CC=C[C@@H]12 ZINC000095750802 II Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1=CN=C2C=CC=C[C@H]12 ZINC000095750804 II Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1=CN=C2C=CC=C[C@@H]12 ZINC000095750805 II Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCCC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000095783962 II Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCCC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000095784282 II Annotated Anodyne COc1ccc([C@H]2C=C(C(=O)N3CCCCC3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000095784605 II Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C[C@](C)(OC)O[C@@H](Cc2ccccc2)[C@H]1/C=C/C1CC1 ZINC000095784961 II Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C[C@@](C)(OC)O[C@@H](Cc2ccccc2)[C@H]1/C=C/C1CC1 ZINC000095784964 II Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2cccs2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000095785469 II Annotated Anodyne COc1ccc([C@@H]2C=C(C(=O)N3CCCCC3)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000095785473 II Annotated Anodyne O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095794032 II Annotated Mild O=C(C1CCCCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095794159 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095794898 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO ZINC000095795534 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N[C@H]2CO ZINC000095795556 II Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095796011 II Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccccc2Cl)CC1 ZINC000095796159 II Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccccc2Cl)CC1 ZINC000095796187 II Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CCN(C)CC1 ZINC000095796808 II Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO ZINC000095797313 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@H]1CO ZINC000095797338 II Annotated Mild N#C[C@@H]1[C@H](c2ccccc2/C=C/c2ccccc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095797502 II Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO ZINC000095797563 II Annotated Mild N#C[C@H]1[C@@H](c2ccccc2/C=C/c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095797660 II Annotated Mild C#Cc1ccc([C@H]2C=C(C(=O)N3CCCCCCC3)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000095798324 II Annotated Mild C#Cc1ccc([C@@H]2C=C(C(=O)N3CCCCCCC3)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000095798325 II Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@@H](CO)N3C)cc1 ZINC000095798449 II Annotated Anodyne O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)o1 ZINC000095808606 II Annotated Reactive O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(-n2ccnc2)cc1 ZINC000095808887 II Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)s1 ZINC000095808902 II Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)OC1 ZINC000095809760 II 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]5CC(=O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000095827199 II Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)NC2CCCC2)[C@H](CO)N3C)cc1 ZINC000095864553 II Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(CC2CC2)CC1 ZINC000095865113 II Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(CC2CC2)CC1 ZINC000095865114 II Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccccc1)[C@H](CO)N2 ZINC000095867912 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095869368 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095869480 II Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095873182 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095873183 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095873184 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095873185 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095873186 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095873187 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095873188 II Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095873189 II Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873386 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873387 II Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095873446 II Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095873447 II Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095873448 II Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095873449 II Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095873450 II Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095873451 II Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095873452 II Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095873453 II Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873890 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873891 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873892 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873893 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873894 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873895 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873896 II Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873897 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@H]34)cc2)c1 ZINC000095873905 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095873906 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1 ZINC000095873907 II Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccncc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873931 II Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095873932 II Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095873933 II Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@H]34)cc2)cc1 ZINC000095873934 II Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095873935 II Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@H]34)cc2)cc1 ZINC000095873936 II Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)cc1 ZINC000095873937 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095873960 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095873961 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21 ZINC000095873962 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095873963 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095873964 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095873965 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095873966 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21 ZINC000095873967 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095874176 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cccnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874177 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095874178 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095874179 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cccnc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874180 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5cccnc5)C[C@H]34)cc2)c1 ZINC000095874181 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)c5cccnc5)C[C@@H]34)cc2)c1 ZINC000095874182 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5cccnc5)C[C@H]34)cc2)c1 ZINC000095874183 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874281 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874282 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874283 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095874289 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095874290 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095874291 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095874292 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 ZINC000095874293 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095874424 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)c1 ZINC000095874425 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)c1 ZINC000095874426 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095874427 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095874428 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@@H]34)cc2)c1 ZINC000095874429 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874499 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3ccncc3)CCCCN21 ZINC000095874500 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874501 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874502 II Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874503 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874504 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874505 II Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874506 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874507 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095874508 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095874509 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095874510 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874511 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874512 II Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095874513 II Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@H]23)cc1 ZINC000095874631 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@H]23)cc1 ZINC000095874632 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(OC)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095874633 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095874634 II Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095874635 II Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095874636 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095874637 II Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095874722 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874723 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874724 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095874725 II Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874726 II Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874727 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874728 II Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874729 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874921 II Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874922 II Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874923 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874924 II Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095874925 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095874926 II Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095874927 II Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095874928 II Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5ccccn5)C[C@@H]34)cc2)cc1 ZINC000095874929 II Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5ccccn5)C[C@H]34)cc2)cc1 ZINC000095874930 II Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095875182 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095875183 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095875184 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095875185 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095875186 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095875187 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095875188 II Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095875189 II Annotated Mild OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095875247 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095875248 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095875249 II Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN21 ZINC000095875250 II Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095875251 II Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@H]23)cc1 ZINC000095875537 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095875659 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875660 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@H]34)cc2)c1 ZINC000095875661 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccncc5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875662 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095875663 II Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095875664 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@@H]34)cc2)c1 ZINC000095875665 II Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccncc5)C[C@H]34)cc2)c1 ZINC000095875666 II Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@H]23)cc1 ZINC000095875747 II Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095875748 II Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095875749 II Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@H]23)cc1 ZINC000095875750 II Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095875751 II Annotated Anodyne OC[C@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876946 II Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876947 II Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876948 II Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876949 II Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095876950 II Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095876951 II Annotated Mild COc1cccc(CN2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4cccnc4)cc2)[C@@H]3CO)c1 ZINC000095877274 II Annotated Anodyne O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N[C@H]2CO ZINC000095877424 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095877425 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095877426 II Annotated Mild O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@H]21 ZINC000095877427 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@H]21 ZINC000095877431 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095877432 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095877433 II Annotated Mild O=C(C1CCCCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@H]21 ZINC000095877460 II Annotated Mild O=C(C1CCCCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095877461 II Annotated Mild O=S(=O)(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 ZINC000095877462 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877463 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO ZINC000095877464 II Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877465 II Annotated Anodyne O=C(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877469 II Annotated Mild O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877470 II Annotated Mild O=C(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@H]21 ZINC000095877471 II Annotated Mild O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095877483 II Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877484 II Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095877485 II Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877486 II Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO ZINC000095877496 II Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095877497 II Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)c1 ZINC000095877506 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@H](CO)N3)c1 ZINC000095877507 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)c1 ZINC000095877508 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H](CO)N3)c1 ZINC000095877509 II Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccccc1)[C@H](CO)N2 ZINC000095877568 II Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccccc1)[C@@H](CO)N2 ZINC000095877569 II Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO ZINC000095877579 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 ZINC000095877580 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877581 II Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877582 II Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095877600 II Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095877601 II Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)cc1 ZINC000095877602 II Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)cc1 ZINC000095877603 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095877673 II Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877722 II Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 ZINC000095877723 II Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO ZINC000095877724 II Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877725 II Annotated Anodyne O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@H]21 ZINC000095877768 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877769 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877770 II Annotated Mild Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO ZINC000095877800 II Annotated Anodyne O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095877845 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095877846 II Annotated Mild O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@H]21 ZINC000095877847 II Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO ZINC000095877878 II Annotated Mild CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO ZINC000095877902 II Annotated Clean CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO ZINC000095877903 II Annotated Clean CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO ZINC000095877904 II Annotated Clean O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095877960 II Annotated Mild O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095877961 II Annotated Mild O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@H]21 ZINC000095877963 II Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878140 II Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878141 II Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878142 II Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1 ZINC000095878227 II Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1 ZINC000095878228 II Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@H](CO)N3)cc1 ZINC000095878229 II Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H](CO)N3)cc1 ZINC000095878230 II Annotated Anodyne O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878333 II Annotated Mild O=C(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095878334 II Annotated Mild O=C(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@H]21 ZINC000095878335 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095878340 II Annotated Mild O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095878341 II Annotated Mild O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@H]21 ZINC000095878342 II Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3)cc1 ZINC000095878429 II Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3)cc1 ZINC000095878430 II Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3)cc1 ZINC000095878431 II Annotated Mild O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878489 II Annotated Mild O=C(Cc1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@H]21 ZINC000095878490 II Annotated Mild O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878491 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878516 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095878520 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO ZINC000095878521 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO ZINC000095878522 II Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095878523 II Annotated Mild COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1 ZINC000095878627 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1 ZINC000095878628 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3)c1 ZINC000095878629 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3)c1 ZINC000095878630 II Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095878670 II Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095878671 II Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3)c1 ZINC000095878672 II Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3)c1 ZINC000095878673 II Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@@H](CO)N3)c1 ZINC000095878729 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@H](CO)N3)c1 ZINC000095878730 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@H](CO)N3)c1 ZINC000095878731 II Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@@H](CO)N3)c1 ZINC000095878732 II Annotated Anodyne O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@H]21 ZINC000095878775 II Annotated Mild O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095878776 II Annotated Mild O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095878777 II Annotated Mild CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000095878781 II Annotated Clean COc1ccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)Nc4ccccc4)C[C@H]32)cc1 ZINC000095893404 II Annotated Anodyne COc1ccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)Nc4ccccc4)C[C@@H]32)cc1 ZINC000095893405 II Annotated Anodyne COc1ccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)Nc4ccccc4)C[C@@H]32)cc1 ZINC000095893406 II Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccc2Cl)cc1 ZINC000095893836 II Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccccc2Cl)cc1 ZINC000095893837 II Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3Cc2ccccc2Cl)cc1 ZINC000095893838 II Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccccc2Cl)cc1 ZINC000095893839 II Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894043 II Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894047 II Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894159 II Annotated Anodyne O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894161 II Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095894235 II Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095894236 II Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095894237 II Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095894238 II Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 ZINC000095894242 II Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1 ZINC000095894243 II Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1 ZINC000095894244 II Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 ZINC000095894245 II Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894295 II Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894296 II Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894297 II Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccc(Cl)cc2)cc1 ZINC000095894552 II Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3Cc2ccc(Cl)cc2)cc1 ZINC000095894553 II Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccc(Cl)cc2)cc1 ZINC000095894554 II Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccc(Cl)cc2)cc1 ZINC000095894555 II Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894653 II Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894654 II Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894655 II Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894656 II Annotated Anodyne O=C(Nc1ccccc1Cl)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccncc1 ZINC000095894757 II Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095897568 II Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C2 ZINC000095909242 II Annotated Anodyne in-vitro biogenic C#C/C=C/C[C@@H](Cl)[C@H](C[C@H]1O[C@@H](CCC)[C@H](Br)[C@H]1Cl)OC(C)=O ZINC000095909815 II Annotated Reactive in-vitro biogenic C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000095910276 II Annotated Anodyne CC(=O)C[C@H]1C(=O)C(CO)=CC[C@](C)(C/C=C/C(C)(C)OO)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000095911274 II Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]54[C@H](C)NC)[C@@H]3CC[C@H]2C1=O ZINC000095911351 II Annotated Mild in-vitro biogenic CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC[C@H]2OC2(C)C)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000095911366 II Annotated Mild in-vitro biogenic CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC[C@@H]2OC2(C)C)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000095911367 II Annotated Mild in-vitro biogenic CC(C)=CCC1=C(OC(=O)C(C)C)C(=O)C2=C(C1=O)[C@@H]1C[C@@](C)(CC[C@@H]1C(C)(C)O)O2 ZINC000095911368 II Annotated Mild in-vitro biogenic C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]([C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C)C[C@@H]3C(=O)N2C1 ZINC000095911927 II Annotated Anodyne in-vitro biogenic C=C(C)[C@H](O)CC[C@@]1(C)CC=C(COC)C(=O)[C@@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000095913718 II Annotated Mild in-vitro biogenic COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)O[C@H](C(C)C)[C@@H]4OC)cc1OC ZINC000095918970 II Annotated Anodyne in-vitro biogenic C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(=O)CC[C@@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO ZINC000095919108 II Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](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)OO ZINC000095919357 II Annotated Reactive in-vitro biogenic C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C ZINC000095920543 II Annotated Anodyne CN(Cc1ccccc1C(=O)NCC1CCCCC1)Cc1ccc2c(c1C(=O)O)OCO2 ZINC000095920596 II Annotated Anodyne O=c1[nH]cnc2c(CCNCC3CCCCC3)c3[nH]c(NCc4cccs4)nc3cc12 ZINC000095920790 II Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2-c2cn[nH]c2)C(=O)O)=N1 ZINC000095921047 II Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(C(=O)O)c2)cn1 ZINC000095921248 II Annotated Anodyne Cc1ccc(CNC(=O)OC(C)(C)C)c(/C=C/S(=O)(=O)NCCc2ccccc2)c1 ZINC000096020281 II Annotated Anodyne Cc1ccc(CNC(=O)OC(C)(C)C)c(/C=C/S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000096020282 II Annotated Anodyne COc1ccc(CNS(=O)(=O)/C=C/c2cc(C)ccc2CNC(=O)OC(C)(C)C)cc1 ZINC000096020283 II Annotated Anodyne CC(C)(C)OC(=O)NCc1cc(F)ccc1/C=C/S(=O)(=O)NCc1ccc(F)cc1 ZINC000096020288 II Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2N2CCCC2)O1 ZINC000096021326 II Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2N2CCCC2)O1 ZINC000096021327 II Annotated Anodyne Oc1n[nH]c2cc(Nc3ncc(Nc4ccccc4)c(/N=C4/CC(C5CC5)=NN4)n3)ccc12 ZINC000096142370 II Annotated Mild COc1ccc(/C(=C\c2ccc(SC)cc2)C(=O)NCc2ccc(C(=O)CO)cc2)cc1 ZINC000096167589 II Annotated Anodyne O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccc(Cl)cc1 ZINC000096168542 II Annotated Anodyne Cc1cc(-c2nccnc2OC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1 ZINC000096168936 II Annotated Anodyne FC(F)(F)c1ccc(-c2cccn3nc(Cc4cnn(CCN5CCCC5)c4)nc23)cc1 ZINC000096169735 II Annotated Anodyne FC1(F)Oc2cccc(-c3cccn4nc(Nc5ccc6c(c5)CCNCC6)nc34)c2O1 ZINC000096169753 II Annotated Anodyne FC(F)COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169867 II Annotated Anodyne C/C(=N\OCCCCF)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096170373 II Annotated Mild C[C@@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000096170629 II Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1N1C[C@H]2C[C@H]2C1 ZINC000096170663 II Annotated Anodyne C[C@@]1(c2cccc(CC(=O)c3cnc(OCc4ccccc4)cn3)c2)CCSC(N)=N1 ZINC000096172047 II Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1ncnc3ccsc13)=NC2 ZINC000096172393 II Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(Nc1ncnc3ccsc13)=NC2 ZINC000096172394 II Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1ncnc3sccc13)=NC2 ZINC000096172475 II Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1ncnc3ccsc13)=NC2 ZINC000096172481 II Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1ncnc3ccccc13)=NC2 ZINC000096172514 II Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(Nc1ncnc3ccccc13)=NC2 ZINC000096172515 II Annotated Anodyne CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CCCNC(C)=O)cc3)C2)cc1 ZINC000096173014 II Annotated Clean CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)N(C)C)cc3)C2)c(OC)c1 ZINC000096173025 II Annotated Clean O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1nccc3occc13)CC2 ZINC000096173120 II Annotated Anodyne O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1noc2ccccc12 ZINC000096173173 II Annotated Anodyne Cn1cc(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c2cccnc21 ZINC000096173181 II Annotated Anodyne CC(C)(C)CNCc1ccc2c(c1)C[C@H](NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2 ZINC000096174224 II Annotated Anodyne CCCCOc1ccc(C(=O)N(C)[C@@H]2Cc3ccc(CN4C[C@@H]5CC[C@H]4C5)cc3C2)nc1 ZINC000096174236 II Annotated Anodyne CC(C)OCCOc1n[nH]c2ccc(C3C(C#N)=C(C(F)F)NC(C(F)F)=C3C#N)cc12 ZINC000096174404 II Annotated Reactive COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)c(C)c3)n2)n1 ZINC000096174458 II Annotated Anodyne O=C1N=C(N2CCN(Cc3ccccn3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000096174483 II Annotated Clean O=C1N=C(N2CCN(Cc3cccnc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000096174484 II Annotated Clean O=C1N=C(N2CCN(Cc3ccncc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000096174485 II Annotated Clean CCCS(=O)(=O)Cc1cc(F)cc(-c2nc(C3CC3)[nH]c2-c2ccnc(N)n2)c1Cl ZINC000096174583 II Annotated Anodyne CC(C)(CN)COc1c(Br)ccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175018 II Annotated Anodyne CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12 ZINC000096175030 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5ccncc5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175268 II Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5ccncc5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175269 II Annotated Anodyne COCCN1[C@H]2CC[C@@H]1Cc1c2c2cc(S(=O)(=O)c3ccc4[nH]ccc4c3)ccc2n1C ZINC000096175295 II Annotated Anodyne COCCN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 ZINC000096175296 II Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1C ZINC000096175360 II Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1C ZINC000096175361 II Annotated Anodyne [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3cc(OC)c4c(c3)c3c(n4C)C[C@@H]4CC[C@H]3N4)c2c1 ZINC000096175374 II Annotated Anodyne [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3cc(OC)c4c(c3)c3c(n4C)C[C@H]4CC[C@@H]3N4)c2c1 ZINC000096175375 II Annotated Anodyne CC(=O)Nc1ccccc1-c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)ccn1 ZINC000096176078 II Annotated Anodyne CC(=O)Nc1cccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)c1 ZINC000096176081 II Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccccc2OC)cc1 ZINC000096176361 II Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(F)(F)F)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176370 II Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccccc2OCCO)cc1 ZINC000096176441 II Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(N)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176461 II Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176547 II Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176579 II Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176662 II Annotated Mild COc1ccccc1[C@H]1C(S(C)(=O)=O)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176819 II Annotated Anodyne CSc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccccc2OCCCO)cc1 ZINC000096176827 II Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000096176882 II Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)c4cc[nH]c4)[C@H]3C3CCCCC3)cc2)no1 ZINC000096176906 II Annotated Mild COc1ncccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096177119 II Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1nc2ccccc2s1 ZINC000096177147 II Annotated Anodyne CNC(=O)c1n[nH]c2c1[C@H](c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177189 II Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000096177200 II Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096177202 II Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096177203 II Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)N(CCc2ccco2)C3=O)cc1 ZINC000096177232 II Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177234 II Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000096177239 II Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cn1 ZINC000096177257 II Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(Br)cn1 ZINC000096177266 II Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cn1 ZINC000096177272 II Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)n2)c1F ZINC000096177684 II Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177695 II Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)n2)c1 ZINC000096177715 II Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C[C@@H](N)[C@H]1O ZINC000096177716 II Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1O ZINC000096177717 II Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(C3CCCCC3)n2)C[C@@H](N)[C@@H]1O ZINC000096177730 II Annotated Anodyne O=c1cc(O)n(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n1C1CCCC1 ZINC000096270107 II Annotated Anodyne CC(C)c1cc2oc(N3CCC(C(=O)N[C@H]4CCC[C@H](CO)C4)CC3)nc2cc1Cl ZINC000096271069 II Annotated Anodyne CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272211 II Annotated Anodyne CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3cc(Cl)cc(Cl)c3)nc2C)c1 ZINC000096272406 II Annotated Anodyne O=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000096273182 II Annotated Bother C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(C#N)cc2)C1=O ZINC000096273475 II Annotated Mild C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(F)cc2)C1=O ZINC000096273477 II Annotated Anodyne Cc1c(S(=O)(=O)Cc2ccccc2)c2ccccn2c1CC(=O)N(C)Cc1ccccc1 ZINC000096282660 II Annotated Anodyne C[C@@H](CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283839 II Annotated Anodyne C[C@H](CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283840 II Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(Cl)c2)c1 ZINC000096284124 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2cccc(Cl)c2)c1 ZINC000096284125 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2ccccc2Cl)c1 ZINC000096284128 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2Cl)c1 ZINC000096284129 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(Cl)c2)cc1 ZINC000096284138 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2cccc(Cl)c2)cc1 ZINC000096284139 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccccc2Cl)cc1 ZINC000096284146 II Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2Cl)cc1 ZINC000096284147 II Annotated Reactive CC1=N[C@@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)C[C@H]2O1 ZINC000096284551 II Annotated Anodyne CC1=N[C@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)C[C@H]2O1 ZINC000096284552 II Annotated Anodyne CC1=N[C@@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)C[C@@H]2O1 ZINC000096284553 II Annotated Anodyne CC1=N[C@H]2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)C[C@@H]2O1 ZINC000096284554 II Annotated Anodyne Cc1cccc(-c2nc(CNC(=O)Nc3ccccc3)cn2-c2ccc3c(c2)OCO3)n1 ZINC000096285313 II Annotated Anodyne COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000096335941 II Annotated Anodyne COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000096335942 II Annotated Anodyne COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000096335943 II Annotated Anodyne COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000096335944 II Annotated Anodyne O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccco1 ZINC000096336104 II Annotated Mild O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccco1 ZINC000096336105 II Annotated Mild COc1cc([C@@H]2O[C@]34CC[C@@H](C(C)(C)C)C[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)ccc1O ZINC000096336927 II Annotated Mild COc1cc([C@@H]2O[C@]34CC[C@H](C(C)(C)C)C[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)ccc1O ZINC000096336929 II Annotated Mild C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C ZINC000096903501 II Annotated Reactive O=C(O)CCC(=O)OCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000096905695 II Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)n1)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1c(C3CC3)cccc12 ZINC000096906467 II Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@]4(CC(c5ccc(Br)cc5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906657 II Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5ccc(Br)cc5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906658 II Annotated Mild CCCn1c(-c2ccc(S(=O)(=O)NC(C)C)cn2)c(C#N)c2ccc(OC(F)F)cc21 ZINC000096907043 II Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)nc1 ZINC000096907044 II Annotated Mild O=S(=O)(/C=C/c1c(F)c(F)c(F)c(F)c1F)Nc1c(F)c(F)c(F)c(F)c1F ZINC000096908616 II Annotated Mild CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2-c2ncco2)C(=O)O)=N1 ZINC000096908793 II Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2-c2ncco2)C(=O)O)=N1 ZINC000096908794 II Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2-c2cc[nH]n2)C(=O)O)=N1 ZINC000096908795 II Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2-c2cc[nH]n2)C(=O)O)=N1 ZINC000096908796 II Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2-c2cn[nH]c2)C(=O)O)=N1 ZINC000096908797 II Annotated Anodyne Cn1cc(-c2cscc2C[C@H](NC2=NC(C)(C)Cc3cc(Cl)ccc32)C(=O)O)cn1 ZINC000096908798 II Annotated Anodyne Cn1cc(-c2cscc2C[C@@H](NC2=NC(C)(C)Cc3cc(Cl)ccc32)C(=O)O)cn1 ZINC000096908799 II Annotated Anodyne CCOC(=O)C1=N[C@@]2(SC1)C(=O)N(C1CCCCC1)c1ccc(Br)cc12 ZINC000096909007 II Annotated Anodyne COc1cc(-c2c(COC(C)=O)c(COC(C)=O)cc3ccc4c(c23)OCO4)ccc1O ZINC000096909335 II Annotated Anodyne CCCCCN[C@@H](c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909672 II Annotated Anodyne CCCCCN[C@H](c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909673 II Annotated Anodyne CCCCCN[C@@H](c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909674 II Annotated Anodyne CCCCCN[C@H](c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)c1nnnn1C(C)(C)C ZINC000096909675 II Annotated Anodyne CCCNc1nc(NCCC)nc(Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909690 II Annotated Anodyne CCCNc1nc(NCCC)nc(Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909691 II Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCn1c(C(F)(F)F)cc(=O)c2cc(F)ccc21 ZINC000096909954 II Annotated Anodyne Cc1cc(C)n(C(=O)COc2c(Br)cc(Br)c3cccnc23)n1 ZINC000096910080 II Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](CO)C[C@@H]21 ZINC000096910163 II Annotated Anodyne O=c1nc(N2CCC3(CC2)SCCS3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000096910808 II Annotated Bother CS(=O)(=O)c1cc(F)cc2cc(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)[nH]c12 ZINC000096913717 II Annotated Reactive CS(=O)(=O)c1cc(F)cc2cc(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)[nH]c12 ZINC000096913718 II Annotated Reactive CCC(=O)Nc1cc(CNc2c(C(=O)OC)c(C)nn2-c2ccccc2)cc(Cl)c1O ZINC000096914311 II Annotated Anodyne CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(OC)c2)cc(Cl)c1O ZINC000096914312 II Annotated Mild C[n+]1cc(-c2cc(C(=O)NCCO)cc(-c3ccc(C(C)(C)C)cc3)c2)nc2ccccc21 ZINC000096915139 II Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12 ZINC000096922653 II Annotated Bother Cc1cccn2c(/C=N/OCc3cn(Cc4ccc(C#N)cc4)nn3)c(-c3ccccc3)nc12 ZINC000096922862 II Annotated Mild CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)N2CCOCC2)cc1-3 ZINC000096923504 II Annotated Anodyne C=CCn1c(SC/C(=N/O)c2ccccc2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000096924050 II Annotated Mild CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000096927223 II Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cc(F)cc(F)c4)s3)nc2n1 ZINC000096927706 II Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4c(F)cccc4F)s3)nc2n1 ZINC000096927707 II Annotated Anodyne COc1cc(O)c(C)c2c1[C@@H](c1ccc3n1C(=O)c1c-3nc3ccccc3c1O)O[C@@H](C)C2 ZINC000096927718 II Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(F)c(F)c4)s3)nc2n1 ZINC000096928615 II Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(F)cc4F)s3)nc2n1 ZINC000096928616 II Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cccc([N+](=O)[O-])c4)s3)nc2n1 ZINC000096928624 II Annotated Bother CCOC(=O)/C(CC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)=N\Nc1ccccc1 ZINC000096929367 II Annotated Mild CCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1 ZINC000096929428 II Annotated Clean O=C(CCn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1c(O)ccc2ccccc12 ZINC000096929693 II Annotated Reactive CCOC(=O)C(C(=O)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929990 II Annotated Unstable CCOC(=O)C(C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929994 II Annotated Unstable CCN(CC)CCOc1ccc([C@@H]2[C@@H]3CCc4cc(OC)ccc4C3=NN2C(C)=O)cc1 ZINC000096932215 II Annotated Anodyne CCN(CC)CCOc1ccc([C@H]2[C@@H]3CCc4cc(OC)ccc4C3=NN2C(C)=O)cc1 ZINC000096932217 II Annotated Anodyne CCN(CC)CCOc1ccc([C@@H]2[C@H]3CCc4cc(OC)ccc4C3=NN2C(C)=O)cc1 ZINC000096932219 II Annotated Anodyne CCN(CC)CCOc1ccc([C@H]2[C@H]3CCc4cc(OC)ccc4C3=NN2C(C)=O)cc1 ZINC000096932221 II Annotated Anodyne CN(C)c1ccc(Nc2c(Cl)c(Cl)c(C#N)c(Cl)c2C#N)c2nc[nH]c(=O)c12 ZINC000096932871 II Annotated Mild CCC(=O)O[C@@H]1[C@@H](OC(C)=O)C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000096932992 II Annotated Mild C=C(C)[C@H]1CC[C@](C)(/C=C/c2ccc3c(c2O)[C@@](O)(c2ccccc2)[C@H](OC)C(=O)N3)O1 ZINC000096933099 II Annotated Mild C[C@]12C=C3C(=O)O[C@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934069 II Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934070 II Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934071 II Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934072 II Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934073 II Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934074 II Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934075 II Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934076 II Annotated Reactive Cc1cc(C)c2oc(=O)cc(Cn3c4ccccc4n4c(=O)cc(C(F)(F)F)nc34)c2c1 ZINC000096934505 II Annotated Anodyne Cc1ccc2oc(=O)cc(Cn3c4ccccc4n4c(=O)cc(C(F)(F)F)nc34)c2c1 ZINC000096934506 II Annotated Anodyne Nc1nn(CC(=O)NCc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934517 II Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000096934553 II Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000096934554 II Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000096934555 II Annotated Clean COc1ccc(-c2nnc(N/N=C/c3cccc(O)c3O)nc2-c2ccc(OC)cc2)cc1 ZINC000096935213 II Annotated Mild COc1ccc(-c2nnc(N/N=C/c3ccc(O)cc3O)nc2-c2ccc(OC)cc2)cc1 ZINC000096935223 II Annotated Mild COc1cc2c(cc1OC)[C@]1(Cc3ccccc3Br)OC(C)=CC(=O)N1CC2 ZINC000096935345 II Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(Cc3ccccc3Br)OC(C)=CC(=O)N1CC2 ZINC000096935346 II Annotated Anodyne N#Cc1ccc(C(=O)O[C@H]2C(=O)C=CN(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000096938177 II Annotated Mild N#Cc1cccc(C(=O)O[C@H]2C(=O)C=CN(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)c1 ZINC000096938178 II Annotated Mild C[C@@H]1[C@@H](OC(=O)c2ccc(F)cc2C(F)(F)F)C(=O)C=CN1C(=O)Oc1ccccc1 ZINC000096938179 II Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O ZINC000096938621 II Annotated Reactive COc1nc2ccccc2cc1CN(Cc1ccc(Cl)cc1)C[C@H](O)CN1CCCC1 ZINC000096939095 II Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccc(Cl)cc1)C[C@@H](O)CN1CCCC1 ZINC000096939096 II Annotated Anodyne COc1ccccc1OC[C@@H]1CN(CCOc2cccc3[nH]c4ccccc4c23)C(=O)CO1 ZINC000096939470 II Annotated Anodyne COc1ccccc1OC[C@H]1CN(CCOc2cccc3[nH]c4ccccc4c23)C(=O)CO1 ZINC000096939472 II Annotated Anodyne COc1ccccc1OCCN1C[C@H](COc2ccc3[nH]c4ccccc4c3c2)OCC1=O ZINC000096939475 II Annotated Anodyne COc1ccccc1OCCN1C[C@@H](COc2ccc3[nH]c4ccccc4c3c2)OCC1=O ZINC000096939477 II Annotated Anodyne COc1ccccc1OCCN1C[C@H](COc2ccc3c(c2)[nH]c2ccccc23)OCC1=O ZINC000096939518 II Annotated Anodyne COc1ccccc1OCCN1C[C@@H](COc2ccc3c(c2)[nH]c2ccccc23)OCC1=O ZINC000096939523 II Annotated Anodyne O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CCC1 ZINC000096940070 II Annotated Anodyne CC(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000096940081 II Annotated Anodyne O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CC1 ZINC000096940216 II Annotated Anodyne CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@H](Cl)C=C1)[C@H]([C@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 ZINC000096940519 II Annotated Reactive CCC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000096941636 II Annotated Anodyne N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098082106 II Annotated Reactive N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098082107 II Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1 ZINC000098082108 II Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1 ZINC000098082109 II Annotated Reactive CC1=NN(C(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2O)C(=O)C1 ZINC000098082121 II Annotated Clean CS(=O)(=O)c1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000098082302 II Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3)o2)n1 ZINC000098082307 II Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br ZINC000098082334 II Annotated Reactive CC(=O)O[C@H]1C[C@H]([C@@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br ZINC000098082335 II Annotated Reactive CC(=O)O[C@H]1C[C@@H]([C@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br ZINC000098082338 II Annotated Reactive CC(=O)O[C@H]1C[C@@H]([C@@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br ZINC000098082339 II Annotated Reactive COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)C(C)C ZINC000098082756 II Annotated Reactive CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(OCc2cnc(Cl)s2)cc1 ZINC000098082759 II Annotated Reactive CNc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)c(C)s1 ZINC000098082829 II Annotated Anodyne Nc1nc(-c2ccc(I)cc2)cc(-c2ccc(-n3ccnc3)cc2)n1 ZINC000098083441 II Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C=O ZINC000098083536 II Annotated Reactive COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C=O ZINC000098083537 II Annotated Reactive COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1CO ZINC000098083538 II Annotated Anodyne COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1CO ZINC000098083539 II Annotated Anodyne N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098083742 II Annotated Reactive N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098083743 II Annotated Reactive CS(=O)(=O)c1ccc(Cc2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000098083885 II Annotated Mild COc1ccc2[nH]c([S@@](=O)Cc3nc(Cl)c4c5c(sc4n3)CCCC5)nc2c1 ZINC000098083948 II Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc(Cl)c4c5c(sc4n3)CCCC5)nc2c1 ZINC000098083949 II Annotated Anodyne CC(=O)Nc1ccc(OC(=O)c2ccccc2N(CCO[N+](=O)[O-])c2ccccc2)cc1 ZINC000098084152 II Annotated Anodyne COc1cc(OC)c(C2=CCN(C)CC2)c(OC)c1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000098084521 II Annotated Mild COc1nc2ccccc2nc1N1CCN(CCc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000098084564 II Annotated Anodyne Cc1sc(N)nc1-c1ccc(CCN2CCN(c3cnc4ccccc4n3)CC2)cc1 ZINC000098084567 II Annotated Clean COc1ccc(-c2csc(/N=C3\NC(=O)/C(=C/[C@@H]4C(=O)Nc5ccccc54)S3)n2)cc1 ZINC000098084720 II Annotated Mild O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 ZINC000098084888 II Annotated Reactive COc1ccc(-c2csc(/N=C3\NC(=O)/C(=C/c4ccc([N+](=O)[O-])o4)S3)n2)cc1 ZINC000098084963 II Annotated Mild Cc1ccc(-n2n[o+]c(O)c2-c2nn3cc(-c4cc5ccccc5oc4=O)nc3s2)cc1 ZINC000098085236 II Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C4=NNC(=O)CN4C=N[C@@H]32)cc1 ZINC000098085509 II Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C4=NNC(=O)CN4C=N[C@H]32)cc1 ZINC000098085510 II Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C4=NNC(=O)CN4C=N[C@@H]32)cc1 ZINC000098085511 II Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C4=NNC(=O)CN4C=N[C@H]32)cc1 ZINC000098085512 II Annotated Anodyne COc1cc2c(c(OC)c1C(Br)Br)C(=O)c1ccccc1C2=O ZINC000098085545 II Annotated Reactive O=c1[nH]cnc2c(CCNCC3CCCCC3)c3[nH]c(NCCc4ccccc4)nc3cc12 ZINC000098207798 II Annotated Anodyne O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c(NO)cc(C(F)(F)F)cc12 ZINC000098208095 II Annotated Anodyne COc1ccc([N+](=O)[O-])cc1Cn1cc(CC(=O)O)c2ccc(-c3cc(N)cc(N)c3)cc21 ZINC000098208268 II Annotated Bother N#Cc1c(O)c2c(-c3ccc(Br)cc3)c(Br)sc2[nH]c1=O ZINC000098208385 II Annotated Mild Cc1ccc(C(=O)NCc2cn([C@H](CC(=O)N=O)Cc3ccc4ccccc4c3)nn2)cc1 ZINC000098209259 II Annotated Anodyne O=C(Cc1cccc2ccccc12)O[C@H]1CNC[C@@H]1OC(=O)Cc1cccc2ccccc12 ZINC000098209388 II Annotated Anodyne